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 2zle_1_G DATA FIRST_RESID 2327 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTTVNTP RMPRNFQQFF GGQQQKFMAL DATA SEQUENCE GSGVIIDADK GYVVTNNHVV DNATVIKVQL SDGRKFDAKM VGKDPRSDIA DATA SEQUENCE LIQIQNPKNL TAIKMADSDA LRVGDYTVAI GNPFGLGETV TSGIVSALGR DATA SEQUENCE ENFIQTDAAI NRGNSGGALV NLNGELIGIN TAILAPDGGN IGIGFAIPSN DATA SEQUENCE MVKNLTSQMV EYGQVKRGEL GIMGTELNSE LAKAMKVDAQ RGAFVSQVLP DATA SEQUENCE NSSAAKAGIK AGDVITSLNG KPISSFAALR AQVGTMPVGS KLTLGLLRDG DATA SEQUENCE KQVNVNLELQ QSSQNQVDSS SIFNEMSNKG KDQGVVVNNV KTGTPAAQIG DATA SEQUENCE LKKGDVIIGA NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLL 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 2327 Q HA 0.000 nan 4.340 nan 0.000 0.214 2327 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 2327 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 2327 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 2328 M N 0.952 120.547 119.600 -0.008 0.000 2.472 2328 M HA 0.826 5.204 4.480 -0.169 0.000 0.331 2328 M C -2.104 174.188 176.300 -0.015 0.000 1.170 2328 M CA -1.840 53.454 55.300 -0.011 0.000 1.009 2328 M CB 0.278 32.872 32.600 -0.010 0.000 1.672 2328 M HN 0.174 nan 8.290 nan 0.000 0.453 2329 P HA 0.305 nan 4.420 nan 0.000 0.269 2329 P C -0.959 176.323 177.300 -0.029 0.000 1.215 2329 P CA -0.222 62.862 63.100 -0.028 0.000 0.780 2329 P CB 0.758 32.434 31.700 -0.038 0.000 0.898 2330 S N 0.130 115.811 115.700 -0.031 0.000 2.543 2330 S HA 0.280 4.648 4.470 -0.169 0.000 0.274 2330 S C 0.115 174.697 174.600 -0.030 0.000 1.149 2330 S CA -0.681 57.502 58.200 -0.028 0.000 0.866 2330 S CB 0.456 63.646 63.200 -0.017 0.000 1.111 2330 S HN 0.301 nan 8.310 nan 0.000 0.457 2331 L N 3.016 124.222 121.223 -0.030 0.000 2.558 2331 L HA 0.242 4.481 4.340 -0.169 0.000 0.225 2331 L C 2.529 179.392 176.870 -0.011 0.000 1.128 2331 L CA 0.770 55.595 54.840 -0.025 0.000 0.868 2331 L CB -0.524 41.519 42.059 -0.027 0.000 1.006 2331 L HN 0.825 nan 8.230 nan 0.000 0.454 2332 A N 1.239 124.054 122.820 -0.009 0.000 1.940 2332 A HA -0.119 4.099 4.320 -0.169 0.000 0.219 2332 A C -0.122 177.461 177.584 -0.001 0.000 1.176 2332 A CA 1.530 53.566 52.037 -0.003 0.000 0.631 2332 A CB -1.465 17.534 19.000 -0.002 0.000 0.814 2332 A HN 0.258 nan 8.150 nan 0.000 0.446 2333 P HA -0.147 nan 4.420 nan 0.000 0.217 2333 P C 1.687 178.987 177.300 0.000 0.000 1.150 2333 P CA 1.764 64.863 63.100 -0.001 0.000 0.832 2333 P CB -0.142 31.556 31.700 -0.003 0.000 0.787 2334 M N -2.929 116.671 119.600 -0.000 0.000 2.394 2334 M HA 0.079 4.458 4.480 -0.169 0.000 0.266 2334 M C 1.691 177.994 176.300 0.005 0.000 1.098 2334 M CA 1.779 57.081 55.300 0.003 0.000 1.149 2334 M CB -1.672 30.930 32.600 0.003 0.000 1.369 2334 M HN -0.233 nan 8.290 nan 0.000 0.450 2335 L N 0.496 121.721 121.223 0.005 0.000 2.127 2335 L HA -0.160 4.079 4.340 -0.169 0.000 0.211 2335 L C 2.282 179.158 176.870 0.009 0.000 1.089 2335 L CA 1.566 56.411 54.840 0.008 0.000 0.757 2335 L CB -0.876 41.188 42.059 0.008 0.000 0.899 2335 L HN 0.481 nan 8.230 nan 0.000 0.434 2336 E N 0.048 120.253 120.200 0.007 0.000 2.204 2336 E HA -0.185 4.064 4.350 -0.169 0.000 0.194 2336 E C 1.842 178.447 176.600 0.008 0.000 0.989 2336 E CA 0.799 57.205 56.400 0.008 0.000 0.824 2336 E CB 0.112 29.817 29.700 0.007 0.000 0.756 2336 E HN 0.457 nan 8.360 nan 0.000 0.477 2337 K N -0.018 120.386 120.400 0.007 0.000 2.426 2337 K HA 0.049 4.268 4.320 -0.169 0.000 0.193 2337 K C 1.599 178.204 176.600 0.008 0.000 1.028 2337 K CA 0.194 56.486 56.287 0.007 0.000 1.047 2337 K CB 0.758 33.262 32.500 0.006 0.000 0.821 2337 K HN -0.025 nan 8.250 nan 0.000 0.513 2338 V N 0.737 120.656 119.914 0.009 0.000 2.690 2338 V HA -0.101 3.917 4.120 -0.169 0.000 0.240 2338 V C 2.038 178.139 176.094 0.012 0.000 1.078 2338 V CA 0.696 63.002 62.300 0.011 0.000 1.102 2338 V CB -0.099 31.731 31.823 0.012 0.000 0.800 2338 V HN 0.218 nan 8.190 nan 0.000 0.479 2339 M N 0.163 119.771 119.600 0.013 0.000 2.146 2339 M HA -0.173 4.206 4.480 -0.169 0.000 0.256 2339 M C -0.122 176.188 176.300 0.016 0.000 1.075 2339 M CA 2.173 57.483 55.300 0.016 0.000 1.082 2339 M CB -2.509 30.101 32.600 0.018 0.000 1.355 2339 M HN 0.265 nan 8.290 nan 0.000 0.402 2340 P HA -0.048 nan 4.420 nan 0.000 0.223 2340 P C 1.162 178.466 177.300 0.007 0.000 1.144 2340 P CA 1.086 64.194 63.100 0.014 0.000 0.783 2340 P CB -0.057 31.650 31.700 0.012 0.000 0.771 2341 S N -1.559 114.144 115.700 0.006 0.000 2.524 2341 S HA 0.066 4.434 4.470 -0.169 0.000 0.216 2341 S C 0.816 175.419 174.600 0.004 0.000 0.987 2341 S CA 0.084 58.284 58.200 0.001 0.000 0.909 2341 S CB -0.090 63.112 63.200 0.002 0.000 0.781 2341 S HN -0.063 nan 8.310 nan 0.000 0.521 2342 V N 3.392 123.313 119.914 0.011 0.000 2.465 2342 V HA 0.466 4.485 4.120 -0.169 0.000 0.279 2342 V C 0.184 176.289 176.094 0.018 0.000 1.045 2342 V CA -0.566 61.742 62.300 0.014 0.000 0.938 2342 V CB 1.200 33.033 31.823 0.018 0.000 0.986 2342 V HN 0.242 nan 8.190 nan 0.000 0.467 2343 V N 2.618 122.542 119.914 0.017 0.000 3.103 2343 V HA 0.842 4.861 4.120 -0.169 0.000 0.318 2343 V C -0.124 175.987 176.094 0.028 0.000 1.114 2343 V CA -0.490 61.825 62.300 0.026 0.000 1.020 2343 V CB 2.393 34.227 31.823 0.019 0.000 1.085 2343 V HN 0.733 nan 8.190 nan 0.000 0.446 2344 S N 1.550 117.273 115.700 0.038 0.000 2.638 2344 S HA 0.829 5.198 4.470 -0.169 0.000 0.298 2344 S C -0.513 174.110 174.600 0.038 0.000 1.111 2344 S CA -0.559 57.663 58.200 0.036 0.000 1.027 2344 S CB 1.318 64.542 63.200 0.041 0.000 1.064 2344 S HN 0.721 nan 8.310 nan 0.000 0.525 2345 I N 2.017 122.606 120.570 0.032 0.000 2.534 2345 I HA 0.363 4.432 4.170 -0.169 0.000 0.288 2345 I C -1.239 174.898 176.117 0.034 0.000 1.077 2345 I CA -0.617 60.702 61.300 0.032 0.000 1.051 2345 I CB 2.183 40.195 38.000 0.020 0.000 1.234 2345 I HN 0.473 nan 8.210 nan 0.000 0.425 2346 N N 4.513 123.235 118.700 0.035 0.000 2.442 2346 N HA 0.544 5.182 4.740 -0.169 0.000 0.274 2346 N C -1.128 174.396 175.510 0.024 0.000 1.002 2346 N CA -0.276 52.792 53.050 0.031 0.000 0.910 2346 N CB 2.270 40.773 38.487 0.025 0.000 1.244 2346 N HN 0.169 nan 8.380 nan 0.000 0.492 2347 V N 1.361 121.292 119.914 0.029 0.000 2.630 2347 V HA 0.509 4.527 4.120 -0.169 0.000 0.305 2347 V C -0.108 175.942 176.094 -0.074 0.000 1.046 2347 V CA -0.717 61.591 62.300 0.014 0.000 0.934 2347 V CB 1.828 33.701 31.823 0.083 0.000 1.003 2347 V HN 0.605 nan 8.190 nan 0.000 0.451 2348 E N 1.797 121.906 120.200 -0.150 0.000 2.256 2348 E HA 0.729 4.977 4.350 -0.169 0.000 0.268 2348 E C -0.464 175.897 176.600 -0.398 0.000 0.877 2348 E CA -0.324 55.895 56.400 -0.301 0.000 0.757 2348 E CB 2.195 31.796 29.700 -0.165 0.000 1.183 2348 E HN 0.922 nan 8.360 nan 0.000 0.418 2349 G N 1.380 109.695 108.800 -0.809 0.000 2.495 2349 G HA2 0.467 4.326 3.960 -0.169 0.000 0.294 2349 G HA3 0.467 4.326 3.960 -0.169 0.000 0.294 2349 G C -1.199 173.420 174.900 -0.469 0.000 1.397 2349 G CA -0.158 44.630 45.100 -0.519 0.000 0.790 2349 G HN 0.641 nan 8.290 nan 0.000 0.486 2350 S N -1.834 113.942 115.700 0.127 0.000 2.740 2350 S HA 0.923 5.292 4.470 -0.169 0.000 0.300 2350 S C -0.436 174.402 174.600 0.397 0.000 1.147 2350 S CA 0.102 58.474 58.200 0.287 0.000 0.871 2350 S CB 2.100 65.380 63.200 0.133 0.000 1.173 2350 S HN 1.827 nan 8.310 nan 0.000 0.510 2351 T N -0.706 114.007 114.554 0.265 0.000 2.718 2351 T HA 0.509 4.757 4.350 -0.169 0.000 0.306 2351 T C -1.543 173.219 174.700 0.103 0.000 1.485 2351 T CA -0.415 61.779 62.100 0.155 0.000 0.997 2351 T CB 1.333 70.253 68.868 0.088 0.000 1.504 2351 T HN 0.723 nan 8.240 nan 0.000 0.497 2352 T N 1.952 116.546 114.554 0.065 0.000 2.743 2352 T HA 0.610 4.859 4.350 -0.169 0.000 0.293 2352 T C -0.398 174.328 174.700 0.043 0.000 0.945 2352 T CA -0.288 61.844 62.100 0.053 0.000 1.030 2352 T CB 0.806 69.699 68.868 0.041 0.000 0.912 2352 T HN 0.588 nan 8.240 nan 0.000 0.483 2353 V N 4.715 124.659 119.914 0.049 0.000 2.919 2353 V HA 0.551 4.570 4.120 -0.169 0.000 0.316 2353 V C -0.488 175.634 176.094 0.047 0.000 1.077 2353 V CA -1.075 61.254 62.300 0.047 0.000 0.977 2353 V CB 2.062 33.919 31.823 0.055 0.000 1.039 2353 V HN 0.795 nan 8.190 nan 0.000 0.441 2354 N N 1.842 120.573 118.700 0.052 0.000 2.513 2354 N HA 0.261 4.899 4.740 -0.169 0.000 0.274 2354 N C -0.409 175.136 175.510 0.057 0.000 1.189 2354 N CA -0.124 52.959 53.050 0.055 0.000 0.975 2354 N CB 0.965 39.494 38.487 0.070 0.000 1.157 2354 N HN 0.724 nan 8.380 nan 0.000 0.465 2355 T N 2.993 117.578 114.554 0.052 0.000 2.752 2355 T HA 0.220 4.468 4.350 -0.169 0.000 0.295 2355 T C -2.107 172.624 174.700 0.052 0.000 0.923 2355 T CA -0.771 61.357 62.100 0.046 0.000 1.112 2355 T CB 0.312 69.203 68.868 0.038 0.000 0.884 2355 T HN 0.252 nan 8.240 nan 0.000 0.525 2356 P HA 0.109 nan 4.420 nan 0.000 0.264 2356 P C -0.159 177.158 177.300 0.029 0.000 1.193 2356 P CA -0.193 62.927 63.100 0.034 0.000 0.763 2356 P CB 0.479 32.191 31.700 0.019 0.000 0.810 2357 R N 3.278 123.795 120.500 0.028 0.000 2.294 2357 R HA 0.537 4.775 4.340 -0.169 0.000 0.319 2357 R C -0.169 176.130 176.300 -0.002 0.000 0.984 2357 R CA -0.671 55.444 56.100 0.024 0.000 0.861 2357 R CB 1.113 31.442 30.300 0.049 0.000 1.104 2357 R HN 0.474 nan 8.270 nan 0.000 0.451 2358 M N 2.118 121.717 119.600 -0.003 0.000 2.644 2358 M HA 0.425 4.804 4.480 -0.169 0.000 0.316 2358 M C -1.769 174.523 176.300 -0.013 0.000 1.200 2358 M CA -1.729 53.563 55.300 -0.013 0.000 0.944 2358 M CB 1.022 33.618 32.600 -0.007 0.000 1.691 2358 M HN 0.394 nan 8.290 nan 0.000 0.471 2359 P HA 0.383 nan 4.420 nan 0.000 0.288 2359 P C -1.198 176.078 177.300 -0.040 0.000 1.291 2359 P CA -0.475 62.610 63.100 -0.026 0.000 0.766 2359 P CB 0.524 32.207 31.700 -0.028 0.000 1.242 2360 R N 1.368 121.845 120.500 -0.038 0.000 2.310 2360 R HA 0.375 4.613 4.340 -0.169 0.000 0.324 2360 R C -0.534 175.733 176.300 -0.055 0.000 0.955 2360 R CA -0.521 55.547 56.100 -0.053 0.000 0.830 2360 R CB -0.109 30.172 30.300 -0.031 0.000 1.154 2360 R HN 0.359 nan 8.270 nan 0.000 0.458 2361 N N 3.757 122.394 118.700 -0.105 0.000 2.511 2361 N HA 0.051 4.689 4.740 -0.169 0.000 0.249 2361 N C 0.368 175.776 175.510 -0.170 0.000 0.971 2361 N CA -0.276 52.669 53.050 -0.176 0.000 0.938 2361 N CB 0.601 38.967 38.487 -0.201 0.000 1.131 2361 N HN 0.439 nan 8.380 nan 0.000 0.505 2362 F N 2.617 122.509 119.950 -0.097 0.000 2.771 2362 F HA 0.084 4.594 4.527 -0.029 0.000 0.299 2362 F C 1.018 176.768 175.800 -0.084 0.000 1.177 2362 F CA 0.151 58.100 58.000 -0.085 0.000 1.450 2362 F CB -0.087 38.880 39.000 -0.055 0.000 1.114 2362 F HN 0.458 nan 8.300 nan 0.000 0.587 2363 Q N 1.125 120.660 119.800 -0.441 0.000 2.211 2363 Q HA 0.219 4.458 4.340 -0.169 0.000 0.301 2363 Q C -0.378 175.367 176.000 -0.424 0.000 0.884 2363 Q CA -0.330 55.267 55.803 -0.343 0.000 1.115 2363 Q CB 0.217 28.688 28.738 -0.445 0.000 1.217 2363 Q HN 0.683 nan 8.270 nan 0.000 0.451 2364 Q N 1.359 120.906 119.800 -0.422 0.000 3.147 2364 Q HA 0.219 4.457 4.340 -0.169 0.000 0.224 2364 Q C -1.511 174.268 176.000 -0.370 0.000 0.901 2364 Q CA -0.762 54.727 55.803 -0.523 0.000 0.729 2364 Q CB 0.578 29.137 28.738 -0.299 0.000 1.363 2364 Q HN 0.399 nan 8.270 nan 0.000 0.467 2365 F N 3.671 123.676 119.950 0.091 0.000 2.556 2365 F HA 0.287 4.728 4.527 -0.143 0.000 0.344 2365 F C 0.310 176.284 175.800 0.289 0.000 1.255 2365 F CA -1.225 56.886 58.000 0.185 0.000 1.091 2365 F CB -1.083 37.999 39.000 0.137 0.000 1.325 2365 F HN 0.316 nan 8.300 nan 0.000 0.627 2366 F N 1.177 121.202 119.950 0.126 0.000 2.290 2366 F HA 0.620 5.047 4.527 -0.166 0.000 0.282 2366 F C 0.953 176.815 175.800 0.103 0.000 1.251 2366 F CA -0.527 57.526 58.000 0.089 0.000 1.269 2366 F CB -0.410 38.616 39.000 0.043 0.000 1.455 2366 F HN 0.881 nan 8.300 nan 0.000 0.501 2367 G N -0.269 108.361 108.800 -0.284 0.000 3.277 2367 G HA2 0.346 4.205 3.960 -0.169 0.000 0.684 2367 G HA3 0.346 4.205 3.960 -0.169 0.000 0.684 2367 G C -0.646 174.173 174.900 -0.134 0.000 0.923 2367 G CA -0.489 44.367 45.100 -0.406 0.000 0.779 2367 G HN 1.676 nan 8.290 nan 0.000 0.508 2368 G N 1.752 110.571 108.800 0.031 0.000 2.741 2368 G HA2 0.930 4.789 3.960 -0.169 0.000 0.293 2368 G HA3 0.930 4.789 3.960 -0.169 0.000 0.293 2368 G C -0.643 174.278 174.900 0.035 0.000 1.457 2368 G CA 0.225 45.345 45.100 0.032 0.000 1.098 2368 G HN 1.476 nan 8.290 nan 0.000 0.536 2369 Q N 1.260 121.084 119.800 0.040 0.000 2.386 2369 Q HA 0.456 4.695 4.340 -0.169 0.000 0.274 2369 Q C -1.287 174.744 176.000 0.052 0.000 1.011 2369 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 2369 Q CB 1.810 30.572 28.738 0.039 0.000 1.409 2369 Q HN 0.310 nan 8.270 nan 0.000 0.395 2370 Q N 1.424 121.257 119.800 0.056 0.000 2.373 2370 Q HA 0.305 4.544 4.340 -0.169 0.000 0.255 2370 Q C -0.966 175.079 176.000 0.076 0.000 0.980 2370 Q CA 0.238 56.084 55.803 0.072 0.000 0.882 2370 Q CB 1.214 29.995 28.738 0.072 0.000 1.249 2370 Q HN 0.567 nan 8.270 nan 0.000 0.438 2371 Q N 0.903 120.765 119.800 0.104 0.000 2.305 2371 Q HA 0.337 4.576 4.340 -0.169 0.000 0.271 2371 Q C -1.215 174.879 176.000 0.157 0.000 1.046 2371 Q CA -0.349 55.520 55.803 0.111 0.000 0.798 2371 Q CB 1.712 30.518 28.738 0.112 0.000 1.286 2371 Q HN 0.268 nan 8.270 nan 0.000 0.435 2372 K N 2.347 122.805 120.400 0.097 0.000 2.237 2372 K HA 0.569 4.787 4.320 -0.169 0.000 0.270 2372 K C -0.430 176.232 176.600 0.102 0.000 1.015 2372 K CA -0.198 56.109 56.287 0.032 0.000 0.949 2372 K CB 0.591 33.069 32.500 -0.038 0.000 0.976 2372 K HN 0.561 nan 8.250 nan 0.000 0.472 2373 F N -1.222 118.747 119.950 0.032 0.000 2.685 2373 F HA 0.617 5.043 4.527 -0.169 0.000 0.315 2373 F C -1.148 174.671 175.800 0.032 0.000 1.126 2373 F CA -1.421 56.598 58.000 0.032 0.000 0.950 2373 F CB 1.260 40.281 39.000 0.035 0.000 1.360 2373 F HN 0.212 nan 8.300 nan 0.000 0.469 2374 M N 2.082 121.761 119.600 0.131 0.000 2.393 2374 M HA 0.772 5.151 4.480 -0.169 0.000 0.299 2374 M C -1.031 175.420 176.300 0.251 0.000 1.103 2374 M CA -0.810 54.517 55.300 0.044 0.000 0.910 2374 M CB 2.366 34.983 32.600 0.028 0.000 1.659 2374 M HN 0.988 nan 8.290 nan 0.000 0.445 2375 A N 3.395 126.342 122.820 0.212 0.000 2.469 2375 A HA 1.019 5.237 4.320 -0.169 0.000 0.299 2375 A C -1.655 175.999 177.584 0.117 0.000 1.098 2375 A CA -0.769 51.397 52.037 0.215 0.000 0.737 2375 A CB 1.947 21.120 19.000 0.289 0.000 1.312 2375 A HN 0.968 nan 8.150 nan 0.000 0.414 2376 L N 0.209 121.487 121.223 0.092 0.000 2.472 2376 L HA 0.947 5.185 4.340 -0.169 0.000 0.260 2376 L C -0.438 176.456 176.870 0.040 0.000 0.963 2376 L CA -0.105 54.770 54.840 0.059 0.000 0.829 2376 L CB 1.899 43.993 42.059 0.057 0.000 1.348 2376 L HN 1.256 nan 8.230 nan 0.000 0.408 2377 G N 1.478 110.289 108.800 0.018 0.000 2.682 2377 G HA2 0.615 4.473 3.960 -0.169 0.000 0.303 2377 G HA3 0.615 4.473 3.960 -0.169 0.000 0.303 2377 G C -1.760 173.140 174.900 -0.000 0.000 1.341 2377 G CA -0.458 44.640 45.100 -0.003 0.000 0.784 2377 G HN 0.665 nan 8.290 nan 0.000 0.497 2378 S N -1.955 113.741 115.700 -0.006 0.000 2.704 2378 S HA 0.918 5.287 4.470 -0.169 0.000 0.305 2378 S C 0.093 174.691 174.600 -0.003 0.000 1.107 2378 S CA 0.038 58.240 58.200 0.004 0.000 0.993 2378 S CB 1.730 64.936 63.200 0.010 0.000 1.110 2378 S HN 1.394 nan 8.310 nan 0.000 0.534 2379 G N -0.343 108.460 108.800 0.005 0.000 2.684 2379 G HA2 0.617 4.476 3.960 -0.169 0.000 0.290 2379 G HA3 0.617 4.476 3.960 -0.169 0.000 0.290 2379 G C -2.003 172.902 174.900 0.008 0.000 1.425 2379 G CA -0.447 44.655 45.100 0.003 0.000 0.822 2379 G HN 0.611 nan 8.290 nan 0.000 0.482 2380 V N 0.990 120.908 119.914 0.008 0.000 2.531 2380 V HA 0.382 4.401 4.120 -0.169 0.000 0.301 2380 V C 0.078 176.177 176.094 0.009 0.000 1.034 2380 V CA -0.615 61.690 62.300 0.008 0.000 0.865 2380 V CB 1.648 33.477 31.823 0.011 0.000 0.995 2380 V HN 0.665 nan 8.190 nan 0.000 0.424 2381 I N 5.038 125.609 120.570 0.002 0.000 2.587 2381 I HA 0.076 4.144 4.170 -0.169 0.000 0.284 2381 I C 0.682 176.807 176.117 0.014 0.000 1.134 2381 I CA 0.460 61.760 61.300 -0.001 0.000 1.410 2381 I CB 0.780 38.765 38.000 -0.025 0.000 1.392 2381 I HN 0.567 nan 8.210 nan 0.000 0.545 2382 I N 4.193 124.787 120.570 0.039 0.000 4.323 2382 I HA 0.152 4.220 4.170 -0.169 0.000 0.328 2382 I C 0.052 176.209 176.117 0.066 0.000 1.310 2382 I CA 0.754 62.081 61.300 0.045 0.000 1.186 2382 I CB 0.254 38.276 38.000 0.037 0.000 1.130 2382 I HN 0.475 nan 8.210 nan 0.000 0.411 2383 D N -0.242 120.208 120.400 0.083 0.000 2.386 2383 D HA 0.406 4.945 4.640 -0.169 0.000 0.247 2383 D C 0.806 177.084 176.300 -0.036 0.000 1.336 2383 D CA 0.131 54.166 54.000 0.058 0.000 0.976 2383 D CB 1.560 42.463 40.800 0.172 0.000 1.257 2383 D HN 0.035 nan 8.370 nan 0.000 0.570 2384 A N 3.405 126.199 122.820 -0.043 0.000 1.933 2384 A HA -0.154 4.064 4.320 -0.169 0.000 0.218 2384 A C 1.613 179.133 177.584 -0.107 0.000 1.175 2384 A CA 1.541 53.534 52.037 -0.073 0.000 0.628 2384 A CB -0.095 18.875 19.000 -0.051 0.000 0.814 2384 A HN 0.530 nan 8.150 nan 0.000 0.444 2385 D N -0.633 119.704 120.400 -0.104 0.000 2.103 2385 D HA -0.043 4.495 4.640 -0.169 0.000 0.199 2385 D C 1.841 178.021 176.300 -0.199 0.000 0.978 2385 D CA 0.969 54.895 54.000 -0.122 0.000 0.829 2385 D CB 0.026 40.772 40.800 -0.091 0.000 0.981 2385 D HN 0.135 nan 8.370 nan 0.000 0.464 2386 K N -0.270 119.943 120.400 -0.313 0.000 2.459 2386 K HA 0.140 4.359 4.320 -0.169 0.000 0.193 2386 K C 0.885 177.136 176.600 -0.581 0.000 1.030 2386 K CA 0.597 56.542 56.287 -0.571 0.000 1.026 2386 K CB 0.380 32.217 32.500 -1.105 0.000 0.809 2386 K HN 0.217 nan 8.250 nan 0.000 0.504 2387 G N 1.782 110.368 108.800 -0.357 0.000 2.272 2387 G HA2 -0.290 3.569 3.960 -0.169 0.000 0.280 2387 G HA3 -0.290 3.569 3.960 -0.169 0.000 0.280 2387 G C -0.412 174.405 174.900 -0.140 0.000 1.067 2387 G CA -0.037 44.916 45.100 -0.246 0.000 0.902 2387 G HN 0.394 nan 8.290 nan 0.000 0.500 2388 Y N -0.819 119.442 120.300 -0.064 0.000 2.404 2388 Y HA 0.438 4.887 4.550 -0.169 0.000 0.344 2388 Y C 0.675 176.547 175.900 -0.048 0.000 0.995 2388 Y CA -1.144 56.927 58.100 -0.049 0.000 1.201 2388 Y CB 1.453 39.889 38.460 -0.041 0.000 1.151 2388 Y HN 0.064 nan 8.280 nan 0.000 0.517 2389 V N 5.801 125.795 119.914 0.134 0.000 2.448 2389 V HA 0.216 4.235 4.120 -0.169 0.000 0.295 2389 V C -0.382 175.729 176.094 0.028 0.000 1.025 2389 V CA -0.886 61.446 62.300 0.052 0.000 0.859 2389 V CB 1.783 33.620 31.823 0.023 0.000 0.988 2389 V HN 0.498 nan 8.190 nan 0.000 0.431 2390 V N 5.328 125.249 119.914 0.012 0.000 2.607 2390 V HA 0.786 4.804 4.120 -0.169 0.000 0.289 2390 V C 0.200 176.291 176.094 -0.005 0.000 1.053 2390 V CA 0.776 63.074 62.300 -0.005 0.000 0.996 2390 V CB 1.757 33.574 31.823 -0.010 0.000 0.995 2390 V HN 1.105 nan 8.190 nan 0.000 0.476 2391 T N 4.007 118.553 114.554 -0.013 0.000 2.665 2391 T HA 0.413 4.661 4.350 -0.169 0.000 0.303 2391 T C -0.983 173.693 174.700 -0.040 0.000 1.334 2391 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 2391 T CB 1.247 70.097 68.868 -0.031 0.000 1.573 2391 T HN 0.745 nan 8.240 nan 0.000 0.492 2392 N N 2.388 121.031 118.700 -0.095 0.000 2.518 2392 N HA 0.269 4.907 4.740 -0.169 0.000 0.283 2392 N C 1.134 176.558 175.510 -0.144 0.000 1.119 2392 N CA -0.571 52.404 53.050 -0.126 0.000 0.983 2392 N CB 0.649 38.946 38.487 -0.316 0.000 1.139 2392 N HN 0.616 nan 8.380 nan 0.000 0.465 2393 N N 1.870 120.552 118.700 -0.030 0.000 2.381 2393 N HA -0.203 4.436 4.740 -0.169 0.000 0.182 2393 N C 0.907 176.425 175.510 0.013 0.000 1.025 2393 N CA 0.871 53.921 53.050 0.000 0.000 0.888 2393 N CB -0.014 38.497 38.487 0.041 0.000 0.965 2393 N HN 0.724 nan 8.380 nan 0.000 0.438 2394 H N -0.775 118.307 119.070 0.021 0.000 2.555 2394 H HA 0.064 4.519 4.556 -0.169 0.000 0.269 2394 H C 1.522 176.862 175.328 0.020 0.000 0.988 2394 H CA 0.414 56.467 56.048 0.008 0.000 1.178 2394 H CB 0.084 29.845 29.762 -0.002 0.000 1.373 2394 H HN 0.069 nan 8.280 nan 0.000 0.588 2395 V N 1.370 121.132 119.914 -0.254 0.000 2.521 2395 V HA -0.128 3.891 4.120 -0.169 0.000 0.239 2395 V C 2.878 178.986 176.094 0.024 0.000 1.053 2395 V CA 1.019 63.249 62.300 -0.117 0.000 1.073 2395 V CB 0.005 31.719 31.823 -0.182 0.000 0.746 2395 V HN 0.453 nan 8.190 nan 0.000 0.476 2396 V N -1.805 118.113 119.914 0.006 0.000 3.306 2396 V HA 0.110 4.128 4.120 -0.169 0.000 0.264 2396 V C 0.898 177.047 176.094 0.092 0.000 1.149 2396 V CA 0.409 62.744 62.300 0.058 0.000 1.143 2396 V CB -0.537 31.305 31.823 0.031 0.000 0.767 2396 V HN 0.459 nan 8.190 nan 0.000 0.476 2397 D N 2.216 122.660 120.400 0.073 0.000 2.533 2397 D HA -0.044 4.494 4.640 -0.169 0.000 0.236 2397 D C 0.871 177.250 176.300 0.132 0.000 1.137 2397 D CA 1.169 55.212 54.000 0.072 0.000 0.867 2397 D CB -0.055 40.768 40.800 0.038 0.000 1.170 2397 D HN 0.491 nan 8.370 nan 0.000 0.474 2398 N N 0.511 119.289 118.700 0.130 0.000 2.800 2398 N HA -0.201 4.437 4.740 -0.169 0.000 0.250 2398 N C -0.543 175.147 175.510 0.301 0.000 1.078 2398 N CA 0.956 54.129 53.050 0.205 0.000 0.804 2398 N CB -1.356 37.255 38.487 0.207 0.000 1.135 2398 N HN 0.528 nan 8.380 nan 0.000 0.565 2399 A N -0.245 122.706 122.820 0.219 0.000 2.407 2399 A HA 0.449 4.667 4.320 -0.169 0.000 0.248 2399 A C 1.321 178.971 177.584 0.109 0.000 1.082 2399 A CA 0.892 53.020 52.037 0.153 0.000 0.785 2399 A CB 0.453 19.519 19.000 0.110 0.000 1.020 2399 A HN 0.229 nan 8.150 nan 0.000 0.489 2400 T N 0.362 114.954 114.554 0.063 0.000 3.056 2400 T HA 0.236 4.484 4.350 -0.169 0.000 0.243 2400 T C 0.025 174.768 174.700 0.073 0.000 0.995 2400 T CA 0.619 62.779 62.100 0.100 0.000 1.091 2400 T CB 0.271 69.177 68.868 0.063 0.000 0.990 2400 T HN 0.378 nan 8.240 nan 0.000 0.464 2401 V N 2.831 122.754 119.914 0.016 0.000 2.525 2401 V HA 0.610 4.629 4.120 -0.169 0.000 0.299 2401 V C -1.373 174.728 176.094 0.012 0.000 1.034 2401 V CA -1.204 61.104 62.300 0.014 0.000 0.863 2401 V CB 1.795 33.609 31.823 -0.014 0.000 0.999 2401 V HN 0.430 nan 8.190 nan 0.000 0.423 2402 I N 4.154 124.744 120.570 0.034 0.000 2.410 2402 I HA 0.623 4.691 4.170 -0.169 0.000 0.286 2402 I C -0.482 175.662 176.117 0.044 0.000 1.009 2402 I CA -0.087 61.235 61.300 0.037 0.000 1.111 2402 I CB 1.171 39.198 38.000 0.046 0.000 1.262 2402 I HN 0.479 nan 8.210 nan 0.000 0.443 2403 K N 5.299 125.724 120.400 0.040 0.000 2.123 2403 K HA 0.795 5.013 4.320 -0.169 0.000 0.259 2403 K C -1.289 175.351 176.600 0.067 0.000 0.960 2403 K CA -0.938 55.382 56.287 0.055 0.000 0.872 2403 K CB 2.357 34.880 32.500 0.039 0.000 1.079 2403 K HN 0.493 nan 8.250 nan 0.000 0.440 2404 V N 2.374 122.349 119.914 0.101 0.000 2.656 2404 V HA 0.278 4.297 4.120 -0.169 0.000 0.307 2404 V C -0.889 175.299 176.094 0.156 0.000 1.051 2404 V CA -0.797 61.568 62.300 0.109 0.000 0.893 2404 V CB 1.726 33.606 31.823 0.095 0.000 0.999 2404 V HN 0.721 nan 8.190 nan 0.000 0.426 2405 Q N 3.833 123.704 119.800 0.119 0.000 2.327 2405 Q HA 0.607 4.846 4.340 -0.169 0.000 0.270 2405 Q C -1.024 175.047 176.000 0.119 0.000 1.022 2405 Q CA -0.581 55.300 55.803 0.129 0.000 0.773 2405 Q CB 1.642 30.426 28.738 0.077 0.000 1.251 2405 Q HN 0.719 nan 8.270 nan 0.000 0.457 2406 L N 1.424 122.746 121.223 0.165 0.000 2.473 2406 L HA 0.045 4.284 4.340 -0.169 0.000 0.265 2406 L C 1.604 178.521 176.870 0.079 0.000 1.243 2406 L CA 0.346 55.255 54.840 0.116 0.000 0.822 2406 L CB 0.370 42.528 42.059 0.165 0.000 1.101 2406 L HN 0.851 nan 8.230 nan 0.000 0.507 2407 S N -0.959 114.775 115.700 0.057 0.000 2.515 2407 S HA -0.120 4.248 4.470 -0.169 0.000 0.231 2407 S C 1.060 175.686 174.600 0.044 0.000 0.987 2407 S CA 0.700 58.927 58.200 0.044 0.000 0.936 2407 S CB -0.325 62.895 63.200 0.034 0.000 0.766 2407 S HN 0.835 nan 8.310 nan 0.000 0.528 2408 D N -0.010 120.422 120.400 0.053 0.000 2.340 2408 D HA 0.254 4.792 4.640 -0.169 0.000 0.220 2408 D C 1.454 177.780 176.300 0.044 0.000 1.039 2408 D CA 0.686 54.713 54.000 0.046 0.000 0.866 2408 D CB -0.479 40.351 40.800 0.049 0.000 0.913 2408 D HN 0.583 nan 8.370 nan 0.000 0.523 2409 G N 0.170 109.002 108.800 0.053 0.000 2.195 2409 G HA2 -0.290 3.569 3.960 -0.169 0.000 0.224 2409 G HA3 -0.290 3.569 3.960 -0.169 0.000 0.224 2409 G C 0.259 175.177 174.900 0.030 0.000 0.990 2409 G CA -0.218 44.905 45.100 0.038 0.000 0.639 2409 G HN 0.429 nan 8.290 nan 0.000 0.514 2410 R N 0.890 121.425 120.500 0.059 0.000 2.543 2410 R HA 0.525 4.764 4.340 -0.169 0.000 0.277 2410 R C 0.364 176.662 176.300 -0.004 0.000 1.074 2410 R CA 0.333 56.430 56.100 -0.005 0.000 1.076 2410 R CB 0.527 30.885 30.300 0.096 0.000 0.993 2410 R HN 0.241 nan 8.270 nan 0.000 0.459 2411 K N 2.455 122.716 120.400 -0.232 0.000 2.164 2411 K HA 0.444 4.663 4.320 -0.169 0.000 0.258 2411 K C -0.943 175.421 176.600 -0.393 0.000 0.951 2411 K CA -0.434 55.771 56.287 -0.136 0.000 0.844 2411 K CB 1.272 33.716 32.500 -0.093 0.000 1.099 2411 K HN 0.247 nan 8.250 nan 0.000 0.435 2412 F N -0.158 119.793 119.950 0.003 0.000 2.675 2412 F HA 0.333 4.758 4.527 -0.169 0.000 0.324 2412 F C -0.071 175.732 175.800 0.005 0.000 1.106 2412 F CA -0.950 57.051 58.000 0.002 0.000 0.970 2412 F CB 1.564 40.565 39.000 0.002 0.000 1.385 2412 F HN 0.342 nan 8.300 nan 0.000 0.489 2413 D N 0.261 120.799 120.400 0.229 0.000 2.272 2413 D HA 0.737 5.275 4.640 -0.169 0.000 0.247 2413 D C -0.926 175.445 176.300 0.118 0.000 0.990 2413 D CA -0.175 53.901 54.000 0.127 0.000 0.931 2413 D CB 2.065 42.917 40.800 0.086 0.000 1.195 2413 D HN 0.669 nan 8.370 nan 0.000 0.477 2414 A N 0.915 123.784 122.820 0.083 0.000 2.515 2414 A HA 0.700 4.918 4.320 -0.169 0.000 0.296 2414 A C -0.979 176.643 177.584 0.063 0.000 1.094 2414 A CA -0.750 51.327 52.037 0.067 0.000 0.718 2414 A CB 1.885 20.919 19.000 0.057 0.000 1.307 2414 A HN 0.364 nan 8.150 nan 0.000 0.408 2415 K N 1.266 121.704 120.400 0.063 0.000 2.426 2415 K HA 0.477 4.695 4.320 -0.169 0.000 0.251 2415 K C -0.977 175.659 176.600 0.060 0.000 0.941 2415 K CA -1.010 55.315 56.287 0.063 0.000 0.808 2415 K CB 1.708 34.247 32.500 0.064 0.000 1.265 2415 K HN 0.661 nan 8.250 nan 0.000 0.432 2416 M N 2.242 121.873 119.600 0.051 0.000 2.252 2416 M HA -0.022 4.356 4.480 -0.169 0.000 0.348 2416 M C 1.008 177.331 176.300 0.037 0.000 1.334 2416 M CA 0.415 55.739 55.300 0.039 0.000 1.071 2416 M CB 0.799 33.417 32.600 0.031 0.000 1.763 2416 M HN 0.666 nan 8.290 nan 0.000 0.452 2417 V N 2.721 122.651 119.914 0.026 0.000 3.539 2417 V HA 0.567 4.586 4.120 -0.169 0.000 0.262 2417 V C 0.364 176.449 176.094 -0.015 0.000 1.381 2417 V CA 1.180 63.489 62.300 0.015 0.000 1.060 2417 V CB 1.068 32.902 31.823 0.019 0.000 0.842 2417 V HN 0.889 nan 8.190 nan 0.000 0.445 2418 G N 0.630 109.418 108.800 -0.020 0.000 2.579 2418 G HA2 0.579 4.438 3.960 -0.169 0.000 0.292 2418 G HA3 0.579 4.438 3.960 -0.169 0.000 0.292 2418 G C -1.579 173.312 174.900 -0.015 0.000 1.484 2418 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 2418 G HN 0.656 nan 8.290 nan 0.000 0.515 2419 K N -0.365 120.031 120.400 -0.007 0.000 2.587 2419 K HA 0.683 4.902 4.320 -0.169 0.000 0.276 2419 K C -2.390 174.212 176.600 0.004 0.000 0.956 2419 K CA -0.973 55.314 56.287 -0.000 0.000 0.857 2419 K CB 2.688 35.193 32.500 0.008 0.000 1.431 2419 K HN 0.490 nan 8.250 nan 0.000 0.420 2420 D N 2.286 122.692 120.400 0.009 0.000 2.337 2420 D HA 0.322 4.861 4.640 -0.169 0.000 0.238 2420 D C -2.184 174.131 176.300 0.024 0.000 1.331 2420 D CA -1.807 52.200 54.000 0.011 0.000 0.967 2420 D CB 1.991 42.792 40.800 0.003 0.000 1.382 2420 D HN 0.275 nan 8.370 nan 0.000 0.549 2421 P HA -0.194 nan 4.420 nan 0.000 0.217 2421 P C 1.511 178.842 177.300 0.052 0.000 1.148 2421 P CA 0.716 63.841 63.100 0.042 0.000 0.834 2421 P CB 0.281 32.000 31.700 0.033 0.000 0.783 2422 R N 0.022 120.547 120.500 0.041 0.000 2.088 2422 R HA -0.102 4.137 4.340 -0.169 0.000 0.232 2422 R C 2.383 178.729 176.300 0.077 0.000 1.136 2422 R CA 2.363 58.493 56.100 0.051 0.000 0.926 2422 R CB -1.561 28.754 30.300 0.025 0.000 0.837 2422 R HN 0.315 nan 8.270 nan 0.000 0.429 2423 S N 0.288 116.014 115.700 0.044 0.000 2.522 2423 S HA -0.107 4.261 4.470 -0.169 0.000 0.227 2423 S C 0.421 175.080 174.600 0.098 0.000 0.986 2423 S CA 0.931 59.152 58.200 0.034 0.000 0.929 2423 S CB -0.051 63.133 63.200 -0.027 0.000 0.769 2423 S HN 0.416 nan 8.310 nan 0.000 0.529 2424 D N -0.034 120.425 120.400 0.099 0.000 2.800 2424 D HA -0.150 4.388 4.640 -0.169 0.000 0.232 2424 D C -0.763 175.595 176.300 0.097 0.000 1.137 2424 D CA 0.603 54.679 54.000 0.126 0.000 0.718 2424 D CB -1.692 39.223 40.800 0.192 0.000 1.084 2424 D HN 0.526 nan 8.370 nan 0.000 0.432 2425 I N 0.092 120.692 120.570 0.050 0.000 2.474 2425 I HA 0.737 4.806 4.170 -0.169 0.000 0.294 2425 I C 0.536 176.656 176.117 0.004 0.000 1.005 2425 I CA -0.681 60.633 61.300 0.022 0.000 1.113 2425 I CB 1.514 39.517 38.000 0.006 0.000 1.289 2425 I HN 0.215 nan 8.210 nan 0.000 0.436 2426 A N 6.901 129.716 122.820 -0.009 0.000 2.498 2426 A HA 0.797 5.016 4.320 -0.169 0.000 0.298 2426 A C -1.547 176.022 177.584 -0.025 0.000 1.075 2426 A CA -0.567 51.461 52.037 -0.015 0.000 0.714 2426 A CB 2.280 21.273 19.000 -0.011 0.000 1.299 2426 A HN 0.668 nan 8.150 nan 0.000 0.407 2427 L N 2.533 123.736 121.223 -0.034 0.000 2.346 2427 L HA 0.760 4.999 4.340 -0.169 0.000 0.276 2427 L C -0.787 176.076 176.870 -0.012 0.000 1.006 2427 L CA -0.789 54.022 54.840 -0.048 0.000 0.817 2427 L CB 1.502 43.487 42.059 -0.123 0.000 1.272 2427 L HN 0.850 nan 8.230 nan 0.000 0.421 2428 I N 0.500 121.085 120.570 0.025 0.000 3.174 2428 I HA 0.548 4.616 4.170 -0.169 0.000 0.313 2428 I C -1.380 174.819 176.117 0.137 0.000 1.155 2428 I CA -0.829 60.509 61.300 0.063 0.000 0.977 2428 I CB 2.441 40.468 38.000 0.045 0.000 1.248 2428 I HN 0.575 nan 8.210 nan 0.000 0.453 2429 Q N 2.496 122.371 119.800 0.126 0.000 2.292 2429 Q HA 0.552 4.791 4.340 -0.169 0.000 0.270 2429 Q C -1.342 174.677 176.000 0.032 0.000 1.024 2429 Q CA -0.806 55.069 55.803 0.121 0.000 0.768 2429 Q CB 2.535 31.363 28.738 0.150 0.000 1.250 2429 Q HN 0.662 nan 8.270 nan 0.000 0.447 2430 I N 3.613 124.163 120.570 -0.034 0.000 2.598 2430 I HA -0.051 4.017 4.170 -0.169 0.000 0.284 2430 I C 0.257 176.354 176.117 -0.034 0.000 1.140 2430 I CA 0.073 61.332 61.300 -0.068 0.000 1.420 2430 I CB 0.550 38.399 38.000 -0.251 0.000 1.387 2430 I HN 0.366 nan 8.210 nan 0.000 0.553 2431 Q N 6.650 126.478 119.800 0.047 0.000 2.295 2431 Q HA 0.142 4.381 4.340 -0.169 0.000 0.259 2431 Q C -0.197 175.872 176.000 0.115 0.000 0.976 2431 Q CA 0.055 55.896 55.803 0.065 0.000 0.923 2431 Q CB 0.615 29.401 28.738 0.081 0.000 1.185 2431 Q HN 0.552 nan 8.270 nan 0.000 0.410 2432 N N 1.104 119.844 118.700 0.067 0.000 2.806 2432 N HA -0.103 4.535 4.740 -0.169 0.000 0.248 2432 N C -2.472 173.123 175.510 0.141 0.000 1.081 2432 N CA 0.188 53.300 53.050 0.104 0.000 0.680 2432 N CB -1.179 37.395 38.487 0.145 0.000 0.941 2432 N HN 0.442 nan 8.380 nan 0.000 0.554 2433 P HA 0.247 nan 4.420 nan 0.000 0.272 2433 P C -0.162 177.134 177.300 -0.006 0.000 1.223 2433 P CA 0.306 63.307 63.100 -0.165 0.000 0.784 2433 P CB 1.031 32.593 31.700 -0.229 0.000 0.923 2434 K N 1.839 122.257 120.400 0.029 0.000 2.535 2434 K HA 0.233 4.452 4.320 -0.169 0.000 0.251 2434 K C -0.666 175.967 176.600 0.055 0.000 0.942 2434 K CA -0.524 55.812 56.287 0.082 0.000 0.798 2434 K CB 0.574 33.174 32.500 0.167 0.000 1.267 2434 K HN 0.356 nan 8.250 nan 0.000 0.434 2435 N N 2.827 121.538 118.700 0.019 0.000 2.650 2435 N HA -0.225 4.414 4.740 -0.169 0.000 0.272 2435 N C -1.188 174.319 175.510 -0.006 0.000 1.058 2435 N CA 0.767 53.824 53.050 0.012 0.000 0.765 2435 N CB -0.767 37.740 38.487 0.034 0.000 0.902 2435 N HN 0.345 nan 8.380 nan 0.000 0.551 2436 L N 0.517 121.713 121.223 -0.045 0.000 2.332 2436 L HA 0.548 4.786 4.340 -0.169 0.000 0.269 2436 L C 0.785 177.629 176.870 -0.042 0.000 1.016 2436 L CA -0.150 54.650 54.840 -0.067 0.000 0.809 2436 L CB 1.799 43.782 42.059 -0.126 0.000 1.280 2436 L HN 0.162 nan 8.230 nan 0.000 0.447 2437 T N 1.466 115.999 114.554 -0.035 0.000 2.824 2437 T HA 0.805 5.054 4.350 -0.169 0.000 0.282 2437 T C -0.656 174.032 174.700 -0.020 0.000 0.993 2437 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 2437 T CB 1.602 70.465 68.868 -0.009 0.000 0.960 2437 T HN 0.684 nan 8.240 nan 0.000 0.441 2438 A N 3.102 125.913 122.820 -0.015 0.000 2.325 2438 A HA 0.814 5.033 4.320 -0.169 0.000 0.333 2438 A C -0.137 177.447 177.584 -0.001 0.000 1.155 2438 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 2438 A CB 0.549 19.547 19.000 -0.004 0.000 1.206 2438 A HN 0.942 nan 8.150 nan 0.000 0.482 2439 I N 0.873 121.445 120.570 0.003 0.000 2.823 2439 I HA 0.235 4.303 4.170 -0.169 0.000 0.290 2439 I C 0.590 176.710 176.117 0.006 0.000 1.091 2439 I CA -0.339 60.964 61.300 0.005 0.000 1.365 2439 I CB 0.724 38.729 38.000 0.008 0.000 1.427 2439 I HN 0.704 nan 8.210 nan 0.000 0.583 2440 K N 7.084 127.487 120.400 0.006 0.000 2.172 2440 K HA 0.365 4.584 4.320 -0.169 0.000 0.276 2440 K C -1.034 175.569 176.600 0.006 0.000 1.013 2440 K CA -0.562 55.728 56.287 0.005 0.000 0.913 2440 K CB 1.036 33.538 32.500 0.005 0.000 1.055 2440 K HN 0.622 nan 8.250 nan 0.000 0.461 2441 M N 3.337 122.939 119.600 0.004 0.000 2.188 2441 M HA 0.264 4.643 4.480 -0.169 0.000 0.357 2441 M C -0.141 176.160 176.300 0.002 0.000 1.204 2441 M CA -0.439 54.863 55.300 0.003 0.000 1.095 2441 M CB 1.711 34.311 32.600 -0.000 0.000 1.604 2441 M HN 0.776 nan 8.290 nan 0.000 0.464 2442 A N 1.835 124.657 122.820 0.003 0.000 2.242 2442 A HA 0.345 4.564 4.320 -0.169 0.000 0.304 2442 A C -0.573 177.010 177.584 -0.001 0.000 1.100 2442 A CA -0.578 51.461 52.037 0.003 0.000 0.860 2442 A CB 0.501 19.505 19.000 0.006 0.000 1.168 2442 A HN 0.713 nan 8.150 nan 0.000 0.503 2443 D N 0.243 120.641 120.400 -0.002 0.000 2.393 2443 D HA 0.293 4.832 4.640 -0.169 0.000 0.232 2443 D C 1.034 177.330 176.300 -0.007 0.000 1.192 2443 D CA 0.300 54.297 54.000 -0.005 0.000 0.882 2443 D CB 0.384 41.181 40.800 -0.005 0.000 1.038 2443 D HN 0.273 nan 8.370 nan 0.000 0.499 2444 S N 2.750 118.444 115.700 -0.009 0.000 2.400 2444 S HA -0.208 4.161 4.470 -0.169 0.000 0.234 2444 S C 1.200 175.792 174.600 -0.013 0.000 1.049 2444 S CA 1.128 59.321 58.200 -0.011 0.000 1.039 2444 S CB -0.051 63.139 63.200 -0.017 0.000 0.856 2444 S HN 0.601 nan 8.310 nan 0.000 0.465 2445 D N 1.346 121.738 120.400 -0.013 0.000 2.311 2445 D HA -0.014 4.524 4.640 -0.169 0.000 0.212 2445 D C 1.529 177.822 176.300 -0.012 0.000 0.972 2445 D CA 0.951 54.943 54.000 -0.013 0.000 0.887 2445 D CB -0.210 40.582 40.800 -0.012 0.000 0.915 2445 D HN 0.477 nan 8.370 nan 0.000 0.497 2446 A N 0.073 122.887 122.820 -0.010 0.000 2.337 2446 A HA 0.175 4.393 4.320 -0.169 0.000 0.227 2446 A C 0.917 178.493 177.584 -0.013 0.000 1.259 2446 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 2446 A CB -0.151 18.845 19.000 -0.007 0.000 0.927 2446 A HN 0.111 nan 8.150 nan 0.000 0.497 2447 L N 0.639 121.854 121.223 -0.014 0.000 2.417 2447 L HA 0.342 4.580 4.340 -0.169 0.000 0.268 2447 L C 0.461 177.316 176.870 -0.026 0.000 1.158 2447 L CA 0.031 54.859 54.840 -0.019 0.000 0.819 2447 L CB 0.626 42.675 42.059 -0.018 0.000 1.112 2447 L HN 0.343 nan 8.230 nan 0.000 0.458 2448 R N 1.362 121.840 120.500 -0.036 0.000 2.725 2448 R HA 0.280 4.518 4.340 -0.169 0.000 0.277 2448 R C 0.632 176.895 176.300 -0.061 0.000 0.987 2448 R CA -0.848 55.225 56.100 -0.044 0.000 0.901 2448 R CB 2.066 32.340 30.300 -0.044 0.000 1.207 2448 R HN 0.314 nan 8.270 nan 0.000 0.463 2449 V N 1.217 121.094 119.914 -0.061 0.000 2.282 2449 V HA -0.230 3.789 4.120 -0.169 0.000 0.249 2449 V C 1.963 177.992 176.094 -0.107 0.000 1.057 2449 V CA 2.594 64.850 62.300 -0.073 0.000 1.032 2449 V CB -0.483 31.304 31.823 -0.060 0.000 0.645 2449 V HN 1.085 nan 8.190 nan 0.000 0.447 2450 G N -0.685 108.040 108.800 -0.126 0.000 2.776 2450 G HA2 -0.075 3.783 3.960 -0.169 0.000 0.209 2450 G HA3 -0.075 3.783 3.960 -0.169 0.000 0.209 2450 G C 0.237 174.944 174.900 -0.322 0.000 1.145 2450 G CA -0.083 44.898 45.100 -0.199 0.000 0.791 2450 G HN 0.457 nan 8.290 nan 0.000 0.530 2451 D N -0.058 120.208 120.400 -0.224 0.000 2.443 2451 D HA 0.115 4.654 4.640 -0.169 0.000 0.239 2451 D C -0.033 176.126 176.300 -0.236 0.000 1.136 2451 D CA 0.145 54.014 54.000 -0.219 0.000 0.879 2451 D CB 0.565 41.311 40.800 -0.089 0.000 1.195 2451 D HN 0.256 nan 8.370 nan 0.000 0.443 2452 Y N 0.486 120.784 120.300 -0.003 0.000 2.346 2452 Y HA 0.222 4.670 4.550 -0.169 0.000 0.330 2452 Y C 1.303 177.202 175.900 -0.001 0.000 1.178 2452 Y CA 0.251 58.351 58.100 -0.001 0.000 1.331 2452 Y CB 1.074 39.535 38.460 0.001 0.000 1.253 2452 Y HN 0.078 nan 8.280 nan 0.000 0.529 2453 T N 2.847 117.522 114.554 0.202 0.000 2.900 2453 T HA 0.519 4.768 4.350 -0.169 0.000 0.295 2453 T C -1.699 173.053 174.700 0.087 0.000 1.044 2453 T CA -0.663 61.501 62.100 0.106 0.000 0.995 2453 T CB 1.590 70.497 68.868 0.065 0.000 1.072 2453 T HN 0.395 nan 8.240 nan 0.000 0.473 2454 V N 2.512 122.462 119.914 0.059 0.000 2.623 2454 V HA 0.873 4.892 4.120 -0.169 0.000 0.304 2454 V C -0.831 175.286 176.094 0.037 0.000 1.054 2454 V CA -0.507 61.819 62.300 0.044 0.000 0.882 2454 V CB 1.247 33.089 31.823 0.032 0.000 1.002 2454 V HN 1.108 nan 8.190 nan 0.000 0.424 2455 A N 7.419 130.260 122.820 0.036 0.000 2.325 2455 A HA 0.936 5.154 4.320 -0.169 0.000 0.333 2455 A C -0.759 176.842 177.584 0.029 0.000 1.155 2455 A CA -0.660 51.397 52.037 0.034 0.000 0.814 2455 A CB 0.974 19.995 19.000 0.035 0.000 1.206 2455 A HN 0.879 nan 8.150 nan 0.000 0.482 2456 I N 1.446 122.033 120.570 0.027 0.000 2.499 2456 I HA 0.670 4.738 4.170 -0.169 0.000 0.288 2456 I C 0.463 176.593 176.117 0.021 0.000 1.048 2456 I CA -0.276 61.039 61.300 0.024 0.000 1.062 2456 I CB 2.315 40.329 38.000 0.023 0.000 1.238 2456 I HN 0.852 nan 8.210 nan 0.000 0.426 2457 G N 3.640 112.450 108.800 0.016 0.000 2.619 2457 G HA2 0.255 4.113 3.960 -0.169 0.000 0.305 2457 G HA3 0.255 4.113 3.960 -0.169 0.000 0.305 2457 G C -1.807 173.093 174.900 0.000 0.000 1.330 2457 G CA -0.708 44.395 45.100 0.007 0.000 0.789 2457 G HN 0.629 nan 8.290 nan 0.000 0.487 2458 N N 0.598 119.290 118.700 -0.013 0.000 2.918 2458 N HA 0.393 5.032 4.740 -0.169 0.000 0.270 2458 N C -1.545 173.919 175.510 -0.077 0.000 1.536 2458 N CA -1.674 51.369 53.050 -0.011 0.000 0.877 2458 N CB 1.613 40.108 38.487 0.013 0.000 1.190 2458 N HN 0.085 nan 8.380 nan 0.000 0.492 2459 P HA -0.186 nan 4.420 nan 0.000 0.216 2459 P C -0.182 176.658 177.300 -0.766 0.000 1.167 2459 P CA 1.699 64.465 63.100 -0.556 0.000 0.933 2459 P CB 0.098 31.412 31.700 -0.644 0.000 0.793 2460 F N -3.895 116.078 119.950 0.037 0.000 2.735 2460 F HA 0.493 4.918 4.527 -0.170 0.000 0.308 2460 F C 1.648 177.469 175.800 0.035 0.000 1.112 2460 F CA 0.313 58.334 58.000 0.035 0.000 1.235 2460 F CB 0.258 39.274 39.000 0.028 0.000 1.027 2460 F HN 0.066 nan 8.300 nan 0.000 0.528 2461 G N 0.894 109.774 108.800 0.133 0.000 2.383 2461 G HA2 -0.347 3.511 3.960 -0.169 0.000 0.229 2461 G HA3 -0.347 3.511 3.960 -0.169 0.000 0.229 2461 G C 1.077 176.041 174.900 0.106 0.000 1.089 2461 G CA 0.279 45.443 45.100 0.106 0.000 0.640 2461 G HN 0.326 nan 8.290 nan 0.000 0.510 2462 L N 1.549 122.857 121.223 0.143 0.000 2.661 2462 L HA 0.363 4.602 4.340 -0.169 0.000 0.236 2462 L C 1.662 178.586 176.870 0.089 0.000 1.176 2462 L CA 1.092 55.999 54.840 0.110 0.000 0.836 2462 L CB -1.281 40.850 42.059 0.120 0.000 0.960 2462 L HN 1.457 nan 8.230 nan 0.000 0.455 2463 G N -0.482 108.368 108.800 0.083 0.000 2.270 2463 G HA2 -0.057 3.802 3.960 -0.169 0.000 0.268 2463 G HA3 -0.057 3.802 3.960 -0.169 0.000 0.268 2463 G C -1.339 173.595 174.900 0.056 0.000 1.312 2463 G CA -0.856 44.282 45.100 0.063 0.000 1.050 2463 G HN -0.025 nan 8.290 nan 0.000 0.474 2464 E N 1.454 121.682 120.200 0.048 0.000 2.035 2464 E HA 0.507 4.756 4.350 -0.169 0.000 0.271 2464 E C -0.381 176.245 176.600 0.043 0.000 0.953 2464 E CA -0.165 56.259 56.400 0.040 0.000 0.777 2464 E CB 1.087 30.807 29.700 0.034 0.000 1.104 2464 E HN 0.504 nan 8.360 nan 0.000 0.408 2465 T N 1.161 115.742 114.554 0.045 0.000 2.829 2465 T HA 0.389 4.638 4.350 -0.169 0.000 0.282 2465 T C 0.155 174.878 174.700 0.038 0.000 0.990 2465 T CA -0.688 61.443 62.100 0.051 0.000 1.028 2465 T CB 1.630 70.539 68.868 0.068 0.000 0.951 2465 T HN 0.254 nan 8.240 nan 0.000 0.460 2466 V N 1.916 121.853 119.914 0.037 0.000 2.628 2466 V HA 0.890 4.908 4.120 -0.169 0.000 0.306 2466 V C -0.465 175.649 176.094 0.034 0.000 1.045 2466 V CA -0.189 62.130 62.300 0.031 0.000 0.905 2466 V CB 1.984 33.822 31.823 0.025 0.000 0.997 2466 V HN 0.925 nan 8.190 nan 0.000 0.436 2467 T N 3.729 118.303 114.554 0.033 0.000 2.909 2467 T HA 0.713 4.961 4.350 -0.169 0.000 0.299 2467 T C -0.461 174.259 174.700 0.033 0.000 1.073 2467 T CA 0.216 62.338 62.100 0.036 0.000 0.999 2467 T CB 1.635 70.528 68.868 0.041 0.000 1.098 2467 T HN 1.555 nan 8.240 nan 0.000 0.477 2468 S N 2.034 117.754 115.700 0.033 0.000 2.726 2468 S HA 1.033 5.401 4.470 -0.169 0.000 0.308 2468 S C 0.273 174.906 174.600 0.057 0.000 1.115 2468 S CA 0.225 58.447 58.200 0.038 0.000 0.965 2468 S CB 1.700 64.909 63.200 0.014 0.000 1.145 2468 S HN 1.431 nan 8.310 nan 0.000 0.532 2469 G N 0.227 109.082 108.800 0.091 0.000 2.512 2469 G HA2 0.402 4.261 3.960 -0.169 0.000 0.181 2469 G HA3 0.402 4.261 3.960 -0.169 0.000 0.181 2469 G C -1.295 173.714 174.900 0.183 0.000 1.173 2469 G CA -0.191 44.981 45.100 0.119 0.000 0.988 2469 G HN 1.698 nan 8.290 nan 0.000 0.485 2470 I N -2.453 118.174 120.570 0.094 0.000 3.279 2470 I HA 0.785 4.854 4.170 -0.169 0.000 0.315 2470 I C -0.762 175.344 176.117 -0.018 0.000 1.225 2470 I CA -1.424 59.892 61.300 0.027 0.000 0.947 2470 I CB 1.931 39.896 38.000 -0.059 0.000 1.293 2470 I HN 0.379 nan 8.210 nan 0.000 0.468 2471 V N 2.997 122.879 119.914 -0.053 0.000 2.397 2471 V HA 0.094 4.113 4.120 -0.169 0.000 0.262 2471 V C 1.077 177.130 176.094 -0.067 0.000 1.047 2471 V CA 0.471 62.738 62.300 -0.056 0.000 1.003 2471 V CB 0.364 32.152 31.823 -0.059 0.000 1.037 2471 V HN 0.892 nan 8.190 nan 0.000 0.480 2472 S N 3.500 119.156 115.700 -0.072 0.000 2.406 2472 S HA 0.312 4.681 4.470 -0.169 0.000 0.224 2472 S C 0.699 175.252 174.600 -0.078 0.000 1.030 2472 S CA 0.836 58.991 58.200 -0.075 0.000 0.958 2472 S CB 0.263 63.411 63.200 -0.086 0.000 0.811 2472 S HN 0.957 nan 8.310 nan 0.000 0.489 2473 A N 0.597 123.362 122.820 -0.092 0.000 2.513 2473 A HA 0.638 4.857 4.320 -0.169 0.000 0.296 2473 A C -1.444 176.099 177.584 -0.069 0.000 1.052 2473 A CA -0.472 51.518 52.037 -0.079 0.000 0.714 2473 A CB 0.936 19.875 19.000 -0.102 0.000 1.279 2473 A HN 0.131 nan 8.150 nan 0.000 0.397 2474 L N 3.474 124.673 121.223 -0.041 0.000 2.956 2474 L HA 0.418 4.657 4.340 -0.169 0.000 0.232 2474 L C 1.602 178.470 176.870 -0.003 0.000 1.291 2474 L CA 1.164 55.990 54.840 -0.024 0.000 1.122 2474 L CB -0.684 41.361 42.059 -0.023 0.000 1.461 2474 L HN 1.352 nan 8.230 nan 0.000 0.470 2475 G N 1.568 110.375 108.800 0.011 0.000 2.999 2475 G HA2 -0.479 3.379 3.960 -0.169 0.000 0.335 2475 G HA3 -0.479 3.379 3.960 -0.169 0.000 0.335 2475 G C 0.977 175.895 174.900 0.030 0.000 1.346 2475 G CA 1.084 46.211 45.100 0.046 0.000 1.351 2475 G HN 0.594 nan 8.290 nan 0.000 0.902 2476 R N -0.099 120.414 120.500 0.023 0.000 3.418 2476 R HA -0.124 4.114 4.340 -0.169 0.000 0.274 2476 R C 0.625 176.936 176.300 0.018 0.000 1.108 2476 R CA 1.320 57.428 56.100 0.012 0.000 0.741 2476 R CB -1.985 28.318 30.300 0.004 0.000 1.223 2476 R HN 1.027 nan 8.270 nan 0.000 0.434 2477 E N -0.328 119.912 120.200 0.066 0.000 2.481 2477 E HA -0.139 4.109 4.350 -0.169 0.000 0.263 2477 E C 0.133 176.741 176.600 0.014 0.000 0.992 2477 E CA 0.057 56.453 56.400 -0.007 0.000 0.938 2477 E CB 0.318 29.954 29.700 -0.106 0.000 0.933 2477 E HN 0.280 nan 8.360 nan 0.000 0.453 2478 N N 2.766 121.446 118.700 -0.033 0.000 3.063 2478 N HA -0.059 4.580 4.740 -0.169 0.000 0.327 2478 N C -1.099 174.413 175.510 0.003 0.000 1.225 2478 N CA -0.022 53.025 53.050 -0.005 0.000 1.184 2478 N CB -1.238 37.233 38.487 -0.026 0.000 1.438 2478 N HN 0.349 nan 8.380 nan 0.000 0.555 2479 F N 0.719 120.689 119.950 0.032 0.000 2.572 2479 F HA 0.100 4.525 4.527 -0.169 0.000 0.370 2479 F C 1.231 177.014 175.800 -0.028 0.000 1.103 2479 F CA -0.076 57.954 58.000 0.049 0.000 1.286 2479 F CB 0.497 39.588 39.000 0.152 0.000 1.105 2479 F HN 0.101 nan 8.300 nan 0.000 0.583 2480 I N 3.660 124.331 120.570 0.167 0.000 2.440 2480 I HA 0.185 4.254 4.170 -0.169 0.000 0.294 2480 I C -0.249 175.808 176.117 -0.101 0.000 0.995 2480 I CA -0.516 60.797 61.300 0.022 0.000 1.306 2480 I CB 1.428 39.438 38.000 0.016 0.000 1.407 2480 I HN 0.513 nan 8.210 nan 0.000 0.501 2481 Q N 3.448 123.127 119.800 -0.202 0.000 2.316 2481 Q HA 0.491 4.729 4.340 -0.169 0.000 0.264 2481 Q C -0.857 175.025 176.000 -0.197 0.000 0.987 2481 Q CA -0.350 55.229 55.803 -0.374 0.000 0.852 2481 Q CB 2.280 30.764 28.738 -0.425 0.000 1.287 2481 Q HN 0.659 nan 8.270 nan 0.000 0.448 2482 T N 0.514 114.971 114.554 -0.163 0.000 2.894 2482 T HA 0.179 4.428 4.350 -0.169 0.000 0.309 2482 T C -0.630 174.047 174.700 -0.039 0.000 1.208 2482 T CA -0.680 61.377 62.100 -0.071 0.000 1.016 2482 T CB 0.945 69.797 68.868 -0.028 0.000 1.192 2482 T HN 0.709 nan 8.240 nan 0.000 0.491 2483 D N 1.804 122.197 120.400 -0.013 0.000 2.328 2483 D HA 0.229 4.768 4.640 -0.169 0.000 0.226 2483 D C 0.798 177.114 176.300 0.027 0.000 1.066 2483 D CA -0.163 53.842 54.000 0.008 0.000 0.861 2483 D CB -0.102 40.706 40.800 0.013 0.000 0.912 2483 D HN 0.514 nan 8.370 nan 0.000 0.521 2484 A N 0.149 122.986 122.820 0.029 0.000 3.004 2484 A HA 0.653 4.871 4.320 -0.169 0.000 0.286 2484 A C 0.533 178.139 177.584 0.038 0.000 1.632 2484 A CA -0.113 51.947 52.037 0.038 0.000 1.339 2484 A CB -0.521 18.505 19.000 0.043 0.000 1.136 2484 A HN 0.354 nan 8.150 nan 0.000 0.577 2485 A N 1.400 124.244 122.820 0.040 0.000 3.907 2485 A HA 0.946 5.165 4.320 -0.169 0.000 0.166 2485 A C -0.777 176.829 177.584 0.036 0.000 0.948 2485 A CA -0.314 51.747 52.037 0.041 0.000 1.077 2485 A CB 0.423 19.453 19.000 0.051 0.000 1.553 2485 A HN 1.052 nan 8.150 nan 0.000 0.740 2486 I N -1.232 119.359 120.570 0.035 0.000 2.731 2486 I HA 0.250 4.319 4.170 -0.169 0.000 0.286 2486 I C -0.964 175.192 176.117 0.065 0.000 1.421 2486 I CA -0.853 60.475 61.300 0.047 0.000 1.071 2486 I CB 0.974 38.969 38.000 -0.007 0.000 1.375 2486 I HN 0.415 nan 8.210 nan 0.000 0.425 2487 N N 5.800 124.564 118.700 0.107 0.000 2.429 2487 N HA 0.191 4.829 4.740 -0.169 0.000 0.271 2487 N C 0.665 176.271 175.510 0.161 0.000 1.272 2487 N CA 0.625 53.741 53.050 0.110 0.000 0.921 2487 N CB 0.205 38.752 38.487 0.099 0.000 1.128 2487 N HN 0.671 nan 8.380 nan 0.000 0.481 2488 R N 0.100 120.666 120.500 0.109 0.000 3.840 2488 R HA -0.135 4.103 4.340 -0.169 0.000 0.464 2488 R C 0.590 176.955 176.300 0.109 0.000 0.986 2488 R CA 1.111 57.285 56.100 0.125 0.000 1.305 2488 R CB -2.079 28.325 30.300 0.174 0.000 1.950 2488 R HN 0.604 nan 8.270 nan 0.000 0.526 2489 G N 0.390 109.177 108.800 -0.021 0.000 2.502 2489 G HA2 0.434 4.293 3.960 -0.169 0.000 0.305 2489 G HA3 0.434 4.293 3.960 -0.169 0.000 0.305 2489 G C -0.203 174.579 174.900 -0.197 0.000 1.190 2489 G CA -0.592 44.317 45.100 -0.318 0.000 0.933 2489 G HN 0.034 nan 8.290 nan 0.000 0.503 2490 N N 0.307 118.873 118.700 -0.224 0.000 2.497 2490 N HA 0.336 4.974 4.740 -0.169 0.000 0.271 2490 N C 0.756 176.235 175.510 -0.052 0.000 1.142 2490 N CA 0.194 53.187 53.050 -0.096 0.000 0.965 2490 N CB 1.196 39.661 38.487 -0.037 0.000 1.077 2490 N HN 0.732 nan 8.380 nan 0.000 0.462 2491 S N 1.068 116.762 115.700 -0.009 0.000 2.973 2491 S HA 0.166 4.534 4.470 -0.169 0.000 0.357 2491 S C 1.412 176.072 174.600 0.100 0.000 1.159 2491 S CA 0.128 58.355 58.200 0.046 0.000 1.423 2491 S CB -0.668 62.559 63.200 0.045 0.000 1.115 2491 S HN 0.598 nan 8.310 nan 0.000 0.563 2492 G N 2.406 111.233 108.800 0.044 0.000 2.355 2492 G HA2 0.429 4.287 3.960 -0.169 0.000 0.175 2492 G HA3 0.429 4.287 3.960 -0.169 0.000 0.175 2492 G C 1.050 175.983 174.900 0.055 0.000 1.624 2492 G CA 0.824 45.945 45.100 0.035 0.000 1.021 2492 G HN 1.180 nan 8.290 nan 0.000 0.465 2493 G N -0.914 107.911 108.800 0.041 0.000 2.509 2493 G HA2 0.508 4.367 3.960 -0.169 0.000 0.168 2493 G HA3 0.508 4.367 3.960 -0.169 0.000 0.168 2493 G C 0.391 175.316 174.900 0.042 0.000 1.415 2493 G CA 0.833 45.957 45.100 0.041 0.000 0.686 2493 G HN 1.120 nan 8.290 nan 0.000 0.677 2494 A N 0.485 123.324 122.820 0.032 0.000 2.363 2494 A HA 0.682 4.900 4.320 -0.169 0.000 0.270 2494 A C -0.623 176.982 177.584 0.034 0.000 1.121 2494 A CA -0.111 51.945 52.037 0.031 0.000 0.800 2494 A CB 0.502 19.517 19.000 0.024 0.000 1.052 2494 A HN 0.452 nan 8.150 nan 0.000 0.493 2495 L N 4.046 125.289 121.223 0.035 0.000 2.349 2495 L HA 0.593 4.832 4.340 -0.169 0.000 0.278 2495 L C -1.238 175.650 176.870 0.030 0.000 0.996 2495 L CA -0.445 54.416 54.840 0.036 0.000 0.825 2495 L CB 1.525 43.608 42.059 0.040 0.000 1.243 2495 L HN 0.516 nan 8.230 nan 0.000 0.412 2496 V N 4.251 124.184 119.914 0.031 0.000 2.823 2496 V HA 0.392 4.411 4.120 -0.169 0.000 0.312 2496 V C -0.255 175.860 176.094 0.036 0.000 1.072 2496 V CA -0.799 61.519 62.300 0.029 0.000 0.937 2496 V CB 2.545 34.383 31.823 0.025 0.000 1.013 2496 V HN 0.945 nan 8.190 nan 0.000 0.430 2497 N N 3.387 122.108 118.700 0.035 0.000 2.418 2497 N HA 0.217 4.855 4.740 -0.169 0.000 0.283 2497 N C 0.464 176.002 175.510 0.048 0.000 1.267 2497 N CA -0.554 52.524 53.050 0.047 0.000 0.975 2497 N CB 0.293 38.804 38.487 0.040 0.000 1.167 2497 N HN 0.319 nan 8.380 nan 0.000 0.581 2498 L N -0.721 120.540 121.223 0.063 0.000 2.549 2498 L HA 0.067 4.305 4.340 -0.169 0.000 0.229 2498 L C 0.868 177.756 176.870 0.030 0.000 1.158 2498 L CA 1.098 55.967 54.840 0.048 0.000 0.842 2498 L CB -1.383 40.718 42.059 0.069 0.000 0.952 2498 L HN 0.559 nan 8.230 nan 0.000 0.452 2499 N N -0.588 118.130 118.700 0.029 0.000 2.236 2499 N HA 0.148 4.786 4.740 -0.169 0.000 0.196 2499 N C 1.324 176.844 175.510 0.016 0.000 1.114 2499 N CA 0.792 53.854 53.050 0.020 0.000 0.859 2499 N CB 0.593 39.092 38.487 0.019 0.000 0.982 2499 N HN 0.252 nan 8.380 nan 0.000 0.493 2500 G N 0.711 109.522 108.800 0.018 0.000 2.143 2500 G HA2 -0.262 3.596 3.960 -0.169 0.000 0.249 2500 G HA3 -0.262 3.596 3.960 -0.169 0.000 0.249 2500 G C -0.246 174.663 174.900 0.015 0.000 0.981 2500 G CA -0.009 45.100 45.100 0.015 0.000 0.665 2500 G HN 0.421 nan 8.290 nan 0.000 0.528 2501 E N -0.542 119.667 120.200 0.016 0.000 2.231 2501 E HA 0.552 4.801 4.350 -0.169 0.000 0.277 2501 E C 0.050 176.658 176.600 0.014 0.000 0.999 2501 E CA -1.082 55.326 56.400 0.013 0.000 0.827 2501 E CB 1.902 31.609 29.700 0.012 0.000 1.101 2501 E HN 0.183 nan 8.360 nan 0.000 0.393 2502 L N 4.304 125.534 121.223 0.012 0.000 2.418 2502 L HA 0.070 4.309 4.340 -0.169 0.000 0.274 2502 L C 0.478 177.354 176.870 0.011 0.000 1.135 2502 L CA 0.661 55.508 54.840 0.013 0.000 0.870 2502 L CB 0.192 42.257 42.059 0.010 0.000 1.154 2502 L HN 0.672 nan 8.230 nan 0.000 0.462 2503 I N 1.453 122.031 120.570 0.014 0.000 4.187 2503 I HA 0.614 4.683 4.170 -0.169 0.000 0.326 2503 I C 0.608 176.732 176.117 0.011 0.000 1.302 2503 I CA 0.226 61.533 61.300 0.011 0.000 1.196 2503 I CB 0.360 38.368 38.000 0.013 0.000 1.095 2503 I HN 0.625 nan 8.210 nan 0.000 0.411 2504 G N 1.456 110.268 108.800 0.019 0.000 2.519 2504 G HA2 0.533 4.391 3.960 -0.169 0.000 0.292 2504 G HA3 0.533 4.391 3.960 -0.169 0.000 0.292 2504 G C -2.144 172.779 174.900 0.037 0.000 1.507 2504 G CA -0.467 44.649 45.100 0.026 0.000 0.806 2504 G HN -0.023 nan 8.290 nan 0.000 0.523 2505 I N 1.038 121.636 120.570 0.046 0.000 2.362 2505 I HA 0.304 4.372 4.170 -0.169 0.000 0.289 2505 I C 0.140 176.315 176.117 0.096 0.000 0.994 2505 I CA -1.032 60.302 61.300 0.057 0.000 1.158 2505 I CB 1.397 39.423 38.000 0.044 0.000 1.315 2505 I HN 0.449 nan 8.210 nan 0.000 0.451 2506 N N 3.340 122.100 118.700 0.099 0.000 2.492 2506 N HA 0.315 4.954 4.740 -0.169 0.000 0.262 2506 N C -0.011 175.599 175.510 0.166 0.000 1.202 2506 N CA 0.227 53.357 53.050 0.134 0.000 0.926 2506 N CB 0.656 39.205 38.487 0.103 0.000 1.078 2506 N HN 0.629 nan 8.380 nan 0.000 0.454 2507 T N -0.158 114.522 114.554 0.210 0.000 2.858 2507 T HA 0.763 5.012 4.350 -0.169 0.000 0.285 2507 T C -1.551 173.219 174.700 0.116 0.000 1.052 2507 T CA -0.798 61.432 62.100 0.218 0.000 1.009 2507 T CB 0.970 70.010 68.868 0.287 0.000 1.241 2507 T HN 0.426 nan 8.240 nan 0.000 0.542 2508 A N 2.145 124.979 122.820 0.023 0.000 2.285 2508 A HA 0.593 4.812 4.320 -0.169 0.000 0.310 2508 A C 0.650 178.119 177.584 -0.191 0.000 1.266 2508 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 2508 A CB -0.243 18.483 19.000 -0.456 0.000 1.163 2508 A HN 0.891 nan 8.150 nan 0.000 0.499 2509 I N 0.325 120.721 120.570 -0.290 0.000 3.862 2509 I HA 0.382 4.450 4.170 -0.169 0.000 0.328 2509 I C -0.682 175.265 176.117 -0.284 0.000 1.474 2509 I CA 0.317 61.404 61.300 -0.356 0.000 1.215 2509 I CB -0.282 37.309 38.000 -0.682 0.000 1.183 2509 I HN 0.418 nan 8.210 nan 0.000 0.413 2510 L N 2.376 123.465 121.223 -0.222 0.000 2.861 2510 L HA 0.526 4.765 4.340 -0.169 0.000 0.290 2510 L C 0.743 177.524 176.870 -0.148 0.000 1.346 2510 L CA -0.472 54.263 54.840 -0.175 0.000 0.779 2510 L CB 0.882 42.843 42.059 -0.164 0.000 1.143 2510 L HN 0.408 nan 8.230 nan 0.000 0.548 2511 A N 0.858 123.601 122.820 -0.128 0.000 2.561 2511 A HA 0.381 4.599 4.320 -0.169 0.000 0.234 2511 A C -1.648 175.891 177.584 -0.075 0.000 1.055 2511 A CA -0.021 51.958 52.037 -0.097 0.000 0.756 2511 A CB -0.460 18.504 19.000 -0.061 0.000 0.986 2511 A HN 0.574 nan 8.150 nan 0.000 0.505 2512 P HA -0.100 nan 4.420 nan 0.000 0.014 2512 P C -0.245 177.013 177.300 -0.070 0.000 0.569 2512 P CA 1.428 64.492 63.100 -0.060 0.000 1.035 2512 P CB -0.414 31.258 31.700 -0.047 0.000 1.909 2513 D N -1.007 119.335 120.400 -0.098 0.000 3.084 2513 D HA 0.277 4.815 4.640 -0.169 0.000 0.294 2513 D C 0.860 177.078 176.300 -0.137 0.000 1.165 2513 D CA 1.640 55.581 54.000 -0.097 0.000 1.008 2513 D CB 0.759 41.507 40.800 -0.087 0.000 1.266 2513 D HN 0.298 nan 8.370 nan 0.000 0.449 2514 G N -0.012 108.641 108.800 -0.246 0.000 2.767 2514 G HA2 0.377 4.235 3.960 -0.169 0.000 0.686 2514 G HA3 0.377 4.235 3.960 -0.169 0.000 0.686 2514 G C 0.240 175.041 174.900 -0.164 0.000 1.213 2514 G CA -0.315 44.593 45.100 -0.321 0.000 0.803 2514 G HN 0.948 nan 8.290 nan 0.000 0.603 2515 G N 1.396 110.112 108.800 -0.140 0.000 2.592 2515 G HA2 0.457 4.315 3.960 -0.169 0.000 0.685 2515 G HA3 0.457 4.315 3.960 -0.169 0.000 0.685 2515 G C -0.415 174.431 174.900 -0.091 0.000 1.278 2515 G CA 0.260 45.308 45.100 -0.087 0.000 0.822 2515 G HN 2.112 nan 8.290 nan 0.000 0.652 2516 N N 0.614 119.282 118.700 -0.054 0.000 2.485 2516 N HA 0.482 5.121 4.740 -0.169 0.000 0.280 2516 N C 1.325 176.810 175.510 -0.042 0.000 1.205 2516 N CA -0.580 52.442 53.050 -0.046 0.000 0.959 2516 N CB 2.388 40.882 38.487 0.012 0.000 1.206 2516 N HN 0.739 nan 8.380 nan 0.000 0.545 2517 I N -1.840 118.702 120.570 -0.048 0.000 3.226 2517 I HA 0.115 4.184 4.170 -0.169 0.000 0.277 2517 I C 0.796 176.927 176.117 0.024 0.000 1.243 2517 I CA 0.993 62.272 61.300 -0.036 0.000 1.459 2517 I CB -0.208 37.741 38.000 -0.085 0.000 1.093 2517 I HN 0.891 nan 8.210 nan 0.000 0.453 2518 G N 1.318 110.151 108.800 0.056 0.000 3.110 2518 G HA2 -0.025 3.834 3.960 -0.169 0.000 0.205 2518 G HA3 -0.025 3.834 3.960 -0.169 0.000 0.205 2518 G C -0.029 174.917 174.900 0.077 0.000 1.019 2518 G CA 0.054 45.189 45.100 0.059 0.000 0.826 2518 G HN 0.305 nan 8.290 nan 0.000 0.481 2519 I N 0.644 121.291 120.570 0.128 0.000 3.264 2519 I HA 0.722 4.790 4.170 -0.169 0.000 0.315 2519 I C -0.008 176.221 176.117 0.187 0.000 1.154 2519 I CA -0.879 60.487 61.300 0.109 0.000 0.962 2519 I CB 2.130 40.163 38.000 0.054 0.000 1.265 2519 I HN 0.162 nan 8.210 nan 0.000 0.463 2520 G N 2.272 111.124 108.800 0.087 0.000 2.356 2520 G HA2 0.591 4.450 3.960 -0.169 0.000 0.322 2520 G HA3 0.591 4.450 3.960 -0.169 0.000 0.322 2520 G C -1.638 173.282 174.900 0.032 0.000 1.125 2520 G CA -0.202 44.983 45.100 0.143 0.000 0.885 2520 G HN 0.256 nan 8.290 nan 0.000 0.467 2521 F N 1.274 121.222 119.950 -0.002 0.000 2.402 2521 F HA 0.657 5.083 4.527 -0.169 0.000 0.355 2521 F C 0.561 176.459 175.800 0.164 0.000 1.123 2521 F CA -0.905 57.113 58.000 0.030 0.000 1.021 2521 F CB 2.130 41.031 39.000 -0.165 0.000 1.160 2521 F HN 0.623 nan 8.300 nan 0.000 0.451 2522 A N 4.160 127.169 122.820 0.315 0.000 2.374 2522 A HA 0.808 5.026 4.320 -0.169 0.000 0.317 2522 A C -0.687 177.048 177.584 0.250 0.000 1.094 2522 A CA -0.731 51.466 52.037 0.265 0.000 0.765 2522 A CB 0.993 20.072 19.000 0.132 0.000 1.268 2522 A HN 0.543 nan 8.150 nan 0.000 0.438 2523 I N 2.766 123.418 120.570 0.138 0.000 2.529 2523 I HA 0.239 4.307 4.170 -0.169 0.000 0.284 2523 I C -2.008 174.096 176.117 -0.022 0.000 1.082 2523 I CA -1.839 59.436 61.300 -0.042 0.000 1.406 2523 I CB 0.673 38.635 38.000 -0.063 0.000 1.405 2523 I HN 0.406 nan 8.210 nan 0.000 0.548 2524 P HA 0.067 nan 4.420 nan 0.000 0.271 2524 P C 0.819 178.102 177.300 -0.028 0.000 1.218 2524 P CA -0.180 62.901 63.100 -0.031 0.000 0.780 2524 P CB 0.690 32.366 31.700 -0.040 0.000 0.901 2525 S N 2.440 118.132 115.700 -0.014 0.000 2.380 2525 S HA -0.287 4.082 4.470 -0.169 0.000 0.229 2525 S C 1.487 176.075 174.600 -0.020 0.000 1.043 2525 S CA 1.815 60.008 58.200 -0.012 0.000 1.038 2525 S CB -1.537 61.660 63.200 -0.005 0.000 0.872 2525 S HN 0.512 nan 8.310 nan 0.000 0.456 2526 N N 0.645 119.331 118.700 -0.023 0.000 2.166 2526 N HA -0.072 4.566 4.740 -0.169 0.000 0.186 2526 N C 1.795 177.285 175.510 -0.033 0.000 1.019 2526 N CA 1.515 54.550 53.050 -0.025 0.000 0.856 2526 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 2526 N HN 0.400 nan 8.380 nan 0.000 0.426 2527 M N 0.909 120.482 119.600 -0.045 0.000 2.200 2527 M HA -0.028 4.350 4.480 -0.169 0.000 0.265 2527 M C 1.669 177.939 176.300 -0.050 0.000 1.066 2527 M CA 1.186 56.452 55.300 -0.057 0.000 1.127 2527 M CB -0.087 32.460 32.600 -0.089 0.000 1.379 2527 M HN -0.125 nan 8.290 nan 0.000 0.420 2528 V N 0.550 120.438 119.914 -0.043 0.000 2.343 2528 V HA -0.296 3.722 4.120 -0.169 0.000 0.247 2528 V C 2.439 178.511 176.094 -0.036 0.000 1.051 2528 V CA 2.234 64.513 62.300 -0.035 0.000 1.036 2528 V CB -1.213 30.596 31.823 -0.023 0.000 0.654 2528 V HN 0.578 nan 8.190 nan 0.000 0.451 2529 K N 0.776 121.157 120.400 -0.032 0.000 2.032 2529 K HA -0.292 3.927 4.320 -0.169 0.000 0.209 2529 K C 2.077 178.654 176.600 -0.037 0.000 1.048 2529 K CA 2.332 58.599 56.287 -0.032 0.000 0.927 2529 K CB -0.314 32.171 32.500 -0.024 0.000 0.712 2529 K HN 0.515 nan 8.250 nan 0.000 0.441 2530 N N 0.300 118.981 118.700 -0.032 0.000 2.084 2530 N HA -0.149 4.490 4.740 -0.169 0.000 0.190 2530 N C 1.883 177.379 175.510 -0.023 0.000 1.030 2530 N CA 1.396 54.431 53.050 -0.025 0.000 0.849 2530 N CB -0.087 38.387 38.487 -0.021 0.000 1.012 2530 N HN 0.172 nan 8.380 nan 0.000 0.423 2531 L N -0.807 120.398 121.223 -0.030 0.000 2.141 2531 L HA -0.095 4.143 4.340 -0.169 0.000 0.209 2531 L C 2.430 179.276 176.870 -0.039 0.000 1.094 2531 L CA 1.095 55.919 54.840 -0.026 0.000 0.763 2531 L CB -0.691 41.348 42.059 -0.033 0.000 0.908 2531 L HN 0.277 nan 8.230 nan 0.000 0.437 2532 T N -1.174 113.345 114.554 -0.059 0.000 2.777 2532 T HA -0.143 4.106 4.350 -0.169 0.000 0.266 2532 T C 2.114 176.735 174.700 -0.131 0.000 1.040 2532 T CA 1.691 63.733 62.100 -0.096 0.000 1.141 2532 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 2532 T HN 0.302 nan 8.240 nan 0.000 0.444 2533 S N 1.223 116.859 115.700 -0.107 0.000 2.382 2533 S HA -0.120 4.249 4.470 -0.169 0.000 0.228 2533 S C 2.111 176.624 174.600 -0.145 0.000 1.027 2533 S CA 1.032 59.154 58.200 -0.131 0.000 0.991 2533 S CB -0.319 62.824 63.200 -0.095 0.000 0.823 2533 S HN 0.572 nan 8.310 nan 0.000 0.469 2534 Q N 0.668 120.433 119.800 -0.059 0.000 2.061 2534 Q HA -0.086 4.152 4.340 -0.169 0.000 0.204 2534 Q C 2.300 178.303 176.000 0.005 0.000 0.984 2534 Q CA 1.442 57.268 55.803 0.038 0.000 0.846 2534 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 2534 Q HN 0.593 nan 8.270 nan 0.000 0.421 2535 M N -0.273 119.304 119.600 -0.038 0.000 2.108 2535 M HA -0.180 4.198 4.480 -0.169 0.000 0.261 2535 M C 2.249 178.487 176.300 -0.103 0.000 1.066 2535 M CA 1.172 56.441 55.300 -0.051 0.000 1.107 2535 M CB -0.597 31.954 32.600 -0.081 0.000 1.356 2535 M HN 0.059 nan 8.290 nan 0.000 0.406 2536 V N 1.140 120.940 119.914 -0.189 0.000 2.216 2536 V HA -0.249 3.770 4.120 -0.169 0.000 0.243 2536 V C 1.753 177.744 176.094 -0.173 0.000 1.044 2536 V CA 2.115 64.287 62.300 -0.213 0.000 0.995 2536 V CB -0.721 30.937 31.823 -0.275 0.000 0.633 2536 V HN 0.507 nan 8.190 nan 0.000 0.446 2537 E N -1.867 118.159 120.200 -0.289 0.000 2.485 2537 E HA -0.029 4.219 4.350 -0.169 0.000 0.194 2537 E C 0.703 176.945 176.600 -0.598 0.000 1.098 2537 E CA 0.624 56.755 56.400 -0.448 0.000 0.878 2537 E CB -0.017 29.309 29.700 -0.623 0.000 0.939 2537 E HN 0.832 nan 8.360 nan 0.000 0.503 2538 Y N -2.519 117.767 120.300 -0.024 0.000 2.463 2538 Y HA 0.229 4.677 4.550 -0.169 0.000 0.288 2538 Y C 1.652 177.541 175.900 -0.018 0.000 1.041 2538 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 2538 Y CB 1.458 39.905 38.460 -0.022 0.000 1.380 2538 Y HN 0.131 nan 8.280 nan 0.000 0.581 2539 G N 0.999 109.862 108.800 0.106 0.000 2.284 2539 G HA2 -0.190 3.668 3.960 -0.169 0.000 0.216 2539 G HA3 -0.190 3.668 3.960 -0.169 0.000 0.216 2539 G C 0.029 174.959 174.900 0.049 0.000 1.009 2539 G CA 0.240 45.376 45.100 0.059 0.000 0.625 2539 G HN 0.421 nan 8.290 nan 0.000 0.501 2540 Q N -0.861 118.990 119.800 0.084 0.000 2.738 2540 Q HA 0.621 4.860 4.340 -0.169 0.000 0.301 2540 Q C -0.543 175.506 176.000 0.081 0.000 0.901 2540 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 2540 Q CB 1.778 30.532 28.738 0.026 0.000 1.463 2540 Q HN 1.181 nan 8.270 nan 0.000 0.432 2541 V N -0.546 119.392 119.914 0.041 0.000 2.498 2541 V HA 0.465 4.483 4.120 -0.169 0.000 0.279 2541 V C -0.179 175.913 176.094 -0.003 0.000 1.048 2541 V CA -0.793 61.530 62.300 0.038 0.000 0.967 2541 V CB 0.826 32.658 31.823 0.015 0.000 0.988 2541 V HN 0.674 nan 8.190 nan 0.000 0.473 2542 K N 4.825 125.208 120.400 -0.027 0.000 2.081 2542 K HA 0.190 4.408 4.320 -0.169 0.000 0.230 2542 K C 0.374 176.940 176.600 -0.057 0.000 1.199 2542 K CA 0.336 56.571 56.287 -0.087 0.000 1.130 2542 K CB -0.445 31.961 32.500 -0.158 0.000 1.386 2542 K HN 0.915 nan 8.250 nan 0.000 0.280 2543 R N 0.300 120.774 120.500 -0.044 0.000 2.409 2543 R HA 0.552 4.790 4.340 -0.169 0.000 0.313 2543 R C -0.045 176.232 176.300 -0.039 0.000 0.953 2543 R CA -0.898 55.180 56.100 -0.038 0.000 0.849 2543 R CB 1.247 31.530 30.300 -0.029 0.000 1.171 2543 R HN 0.301 nan 8.270 nan 0.000 0.458 2544 G N 2.604 111.379 108.800 -0.041 0.000 2.415 2544 G HA2 0.260 4.119 3.960 -0.169 0.000 0.269 2544 G HA3 0.260 4.119 3.960 -0.169 0.000 0.269 2544 G C -0.572 174.307 174.900 -0.034 0.000 1.209 2544 G CA -0.665 44.413 45.100 -0.038 0.000 0.835 2544 G HN 0.791 nan 8.290 nan 0.000 0.534 2545 E N 1.222 121.405 120.200 -0.028 0.000 2.207 2545 E HA 0.373 4.621 4.350 -0.169 0.000 0.270 2545 E C -0.076 176.511 176.600 -0.021 0.000 0.927 2545 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 2545 E CB 1.846 31.538 29.700 -0.014 0.000 1.172 2545 E HN 0.259 nan 8.360 nan 0.000 0.404 2546 L N 2.602 123.812 121.223 -0.021 0.000 2.591 2546 L HA 0.256 4.495 4.340 -0.169 0.000 0.228 2546 L C 1.367 178.237 176.870 0.000 0.000 1.133 2546 L CA 1.506 56.338 54.840 -0.014 0.000 0.880 2546 L CB -0.527 41.521 42.059 -0.019 0.000 1.033 2546 L HN 1.065 nan 8.230 nan 0.000 0.450 2547 G N 0.406 109.209 108.800 0.005 0.000 2.212 2547 G HA2 -0.348 3.510 3.960 -0.169 0.000 0.267 2547 G HA3 -0.348 3.510 3.960 -0.169 0.000 0.267 2547 G C 0.461 175.375 174.900 0.024 0.000 1.002 2547 G CA 0.929 46.036 45.100 0.012 0.000 0.729 2547 G HN 0.604 nan 8.290 nan 0.000 0.517 2548 I N -2.459 118.139 120.570 0.048 0.000 2.934 2548 I HA 0.887 4.956 4.170 -0.169 0.000 0.315 2548 I C 0.293 176.477 176.117 0.111 0.000 0.997 2548 I CA -1.429 59.909 61.300 0.062 0.000 1.184 2548 I CB 1.121 39.178 38.000 0.094 0.000 1.400 2548 I HN 0.025 nan 8.210 nan 0.000 0.549 2549 M N 2.618 122.255 119.600 0.062 0.000 2.433 2549 M HA 0.735 5.114 4.480 -0.169 0.000 0.290 2549 M C -0.280 175.925 176.300 -0.159 0.000 1.173 2549 M CA -0.396 54.923 55.300 0.033 0.000 0.905 2549 M CB 2.084 34.673 32.600 -0.018 0.000 1.692 2549 M HN 1.105 nan 8.290 nan 0.000 0.462 2550 G N 1.024 109.537 108.800 -0.478 0.000 2.335 2550 G HA2 0.649 4.507 3.960 -0.169 0.000 0.291 2550 G HA3 0.649 4.507 3.960 -0.169 0.000 0.291 2550 G C -1.081 173.094 174.900 -1.209 0.000 1.261 2550 G CA 0.211 44.910 45.100 -0.667 0.000 0.871 2550 G HN 0.827 nan 8.290 nan 0.000 0.491 2551 T N -3.084 111.010 114.554 -0.768 0.000 2.611 2551 T HA 0.681 4.929 4.350 -0.169 0.000 0.269 2551 T C -0.808 173.843 174.700 -0.081 0.000 1.032 2551 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 2551 T CB 1.359 70.065 68.868 -0.271 0.000 1.651 2551 T HN 0.533 nan 8.240 nan 0.000 0.456 2552 E N 0.347 120.562 120.200 0.026 0.000 2.405 2552 E HA 0.407 4.655 4.350 -0.169 0.000 0.253 2552 E C 0.601 177.255 176.600 0.090 0.000 1.257 2552 E CA -0.514 55.941 56.400 0.091 0.000 0.960 2552 E CB 0.347 30.085 29.700 0.063 0.000 1.077 2552 E HN 0.552 nan 8.360 nan 0.000 0.512 2553 L N 1.577 122.818 121.223 0.031 0.000 2.653 2553 L HA 0.104 4.343 4.340 -0.169 0.000 0.232 2553 L C 1.140 177.966 176.870 -0.073 0.000 1.169 2553 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 2553 L CB -0.176 41.838 42.059 -0.075 0.000 1.181 2553 L HN 0.184 nan 8.230 nan 0.000 0.460 2554 N N -0.821 117.863 118.700 -0.027 0.000 2.407 2554 N HA 0.013 4.651 4.740 -0.169 0.000 0.182 2554 N C 0.855 176.354 175.510 -0.019 0.000 1.079 2554 N CA 0.268 53.301 53.050 -0.027 0.000 0.882 2554 N CB 0.311 38.791 38.487 -0.011 0.000 1.106 2554 N HN 0.256 nan 8.380 nan 0.000 0.461 2555 S N 1.429 117.133 115.700 0.007 0.000 2.542 2555 S HA -0.073 4.295 4.470 -0.169 0.000 0.287 2555 S C 1.156 175.766 174.600 0.016 0.000 1.315 2555 S CA 0.052 58.267 58.200 0.025 0.000 1.037 2555 S CB 0.648 63.895 63.200 0.078 0.000 0.822 2555 S HN 0.222 nan 8.310 nan 0.000 0.513 2556 E N 0.998 121.207 120.200 0.015 0.000 2.209 2556 E HA -0.136 4.112 4.350 -0.169 0.000 0.196 2556 E C 1.625 178.241 176.600 0.028 0.000 0.993 2556 E CA 1.244 57.649 56.400 0.008 0.000 0.819 2556 E CB -0.427 29.274 29.700 0.002 0.000 0.745 2556 E HN 0.637 nan 8.360 nan 0.000 0.477 2557 L N 0.146 121.420 121.223 0.084 0.000 2.313 2557 L HA 0.003 4.241 4.340 -0.169 0.000 0.214 2557 L C 2.373 179.347 176.870 0.173 0.000 1.119 2557 L CA 0.422 55.361 54.840 0.166 0.000 0.809 2557 L CB -0.219 41.983 42.059 0.238 0.000 0.933 2557 L HN 0.132 nan 8.230 nan 0.000 0.449 2558 A N -0.071 122.745 122.820 -0.007 0.000 2.067 2558 A HA -0.086 4.133 4.320 -0.169 0.000 0.217 2558 A C 2.260 179.694 177.584 -0.250 0.000 1.156 2558 A CA 0.918 52.686 52.037 -0.448 0.000 0.683 2558 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 2558 A HN 0.278 nan 8.150 nan 0.000 0.455 2559 K N -0.560 119.772 120.400 -0.113 0.000 2.121 2559 K HA 0.216 4.434 4.320 -0.169 0.000 0.203 2559 K C 2.113 178.683 176.600 -0.049 0.000 1.041 2559 K CA 0.752 56.992 56.287 -0.079 0.000 0.969 2559 K CB -0.188 32.280 32.500 -0.052 0.000 0.799 2559 K HN 0.298 nan 8.250 nan 0.000 0.456 2560 A N 0.951 123.758 122.820 -0.021 0.000 2.234 2560 A HA -0.083 4.136 4.320 -0.169 0.000 0.216 2560 A C 1.692 179.277 177.584 0.003 0.000 1.167 2560 A CA 1.342 53.376 52.037 -0.004 0.000 0.698 2560 A CB -0.422 18.585 19.000 0.011 0.000 0.779 2560 A HN 0.240 nan 8.150 nan 0.000 0.475 2561 M N -1.053 118.544 119.600 -0.006 0.000 2.300 2561 M HA 0.135 4.514 4.480 -0.169 0.000 0.313 2561 M C -0.758 175.518 176.300 -0.040 0.000 0.988 2561 M CA -0.192 55.112 55.300 0.006 0.000 1.012 2561 M CB 0.533 33.181 32.600 0.080 0.000 1.586 2561 M HN 0.194 nan 8.290 nan 0.000 0.562 2562 K N 2.116 122.472 120.400 -0.073 0.000 5.530 2562 K HA -0.120 4.098 4.320 -0.169 0.000 0.493 2562 K C -0.505 176.029 176.600 -0.111 0.000 1.192 2562 K CA 0.231 56.466 56.287 -0.086 0.000 1.270 2562 K CB -1.604 30.865 32.500 -0.051 0.000 1.888 2562 K HN 0.330 nan 8.250 nan 0.000 0.326 2563 V N -0.353 119.454 119.914 -0.178 0.000 2.407 2563 V HA 0.301 4.320 4.120 -0.169 0.000 0.278 2563 V C 0.468 176.489 176.094 -0.121 0.000 1.037 2563 V CA -0.946 61.240 62.300 -0.191 0.000 0.900 2563 V CB 1.560 33.159 31.823 -0.373 0.000 0.983 2563 V HN 0.410 nan 8.190 nan 0.000 0.459 2564 D N 3.700 124.055 120.400 -0.075 0.000 2.341 2564 D HA 0.469 5.008 4.640 -0.169 0.000 0.245 2564 D C 0.828 177.101 176.300 -0.045 0.000 1.106 2564 D CA 1.057 55.027 54.000 -0.049 0.000 0.905 2564 D CB 1.514 42.297 40.800 -0.029 0.000 1.202 2564 D HN 1.505 nan 8.370 nan 0.000 0.426 2565 A N 2.544 125.342 122.820 -0.035 0.000 1.786 2565 A HA -0.251 3.967 4.320 -0.169 0.000 0.237 2565 A C -0.102 177.462 177.584 -0.033 0.000 1.309 2565 A CA 0.533 52.554 52.037 -0.026 0.000 0.713 2565 A CB -1.536 17.456 19.000 -0.014 0.000 1.194 2565 A HN 0.537 nan 8.150 nan 0.000 0.252 2566 Q N 0.695 120.471 119.800 -0.040 0.000 2.398 2566 Q HA 0.570 4.808 4.340 -0.169 0.000 0.251 2566 Q C 0.200 176.188 176.000 -0.020 0.000 0.999 2566 Q CA -0.245 55.531 55.803 -0.045 0.000 0.874 2566 Q CB 0.836 29.532 28.738 -0.069 0.000 1.215 2566 Q HN 0.818 nan 8.270 nan 0.000 0.470 2567 R N 0.404 120.901 120.500 -0.004 0.000 2.812 2567 R HA 0.496 4.735 4.340 -0.169 0.000 0.179 2567 R C -0.569 175.748 176.300 0.028 0.000 1.407 2567 R CA -0.351 55.756 56.100 0.011 0.000 1.031 2567 R CB -0.244 30.060 30.300 0.007 0.000 1.491 2567 R HN 0.642 nan 8.270 nan 0.000 0.619 2568 G N -0.110 108.718 108.800 0.047 0.000 2.348 2568 G HA2 0.603 4.462 3.960 -0.169 0.000 0.296 2568 G HA3 0.603 4.462 3.960 -0.169 0.000 0.296 2568 G C -1.599 173.376 174.900 0.124 0.000 1.258 2568 G CA -0.356 44.789 45.100 0.074 0.000 0.868 2568 G HN 0.543 nan 8.290 nan 0.000 0.488 2569 A N -0.175 122.743 122.820 0.165 0.000 2.260 2569 A HA 0.681 4.900 4.320 -0.169 0.000 0.308 2569 A C -0.697 177.063 177.584 0.293 0.000 1.254 2569 A CA -0.496 51.700 52.037 0.266 0.000 0.874 2569 A CB 0.238 19.429 19.000 0.317 0.000 1.153 2569 A HN 1.118 nan 8.150 nan 0.000 0.527 2570 F N 3.829 123.817 119.950 0.063 0.000 2.445 2570 F HA 0.403 4.828 4.527 -0.170 0.000 0.359 2570 F C -0.094 175.697 175.800 -0.016 0.000 1.101 2570 F CA -0.696 57.306 58.000 0.004 0.000 1.177 2570 F CB 0.898 39.874 39.000 -0.040 0.000 1.110 2570 F HN 0.305 nan 8.300 nan 0.000 0.522 2571 V N 6.838 126.654 119.914 -0.163 0.000 2.356 2571 V HA -0.019 3.999 4.120 -0.169 0.000 0.258 2571 V C 0.778 176.450 176.094 -0.704 0.000 1.065 2571 V CA 0.220 62.336 62.300 -0.307 0.000 0.935 2571 V CB 0.640 32.411 31.823 -0.088 0.000 1.061 2571 V HN 0.951 nan 8.190 nan 0.000 0.484 2572 S N 4.138 119.421 115.700 -0.695 0.000 2.436 2572 S HA 0.026 4.394 4.470 -0.169 0.000 0.228 2572 S C 0.603 175.007 174.600 -0.326 0.000 1.014 2572 S CA 0.914 58.739 58.200 -0.624 0.000 0.950 2572 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 2572 S HN 0.947 nan 8.310 nan 0.000 0.504 2573 Q N -0.779 118.882 119.800 -0.231 0.000 2.617 2573 Q HA 0.519 4.757 4.340 -0.169 0.000 0.270 2573 Q C -1.611 174.338 176.000 -0.084 0.000 0.967 2573 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 2573 Q CB 1.447 30.120 28.738 -0.108 0.000 1.516 2573 Q HN -0.015 nan 8.270 nan 0.000 0.395 2574 V N 3.410 123.291 119.914 -0.056 0.000 2.370 2574 V HA 0.436 4.454 4.120 -0.169 0.000 0.279 2574 V C -0.352 175.727 176.094 -0.024 0.000 1.029 2574 V CA -0.706 61.576 62.300 -0.030 0.000 0.870 2574 V CB 1.051 32.861 31.823 -0.022 0.000 0.984 2574 V HN 0.812 nan 8.190 nan 0.000 0.451 2575 L N 9.038 130.253 121.223 -0.014 0.000 2.485 2575 L HA 0.258 4.497 4.340 -0.169 0.000 0.275 2575 L C -1.924 174.939 176.870 -0.012 0.000 1.207 2575 L CA -1.225 53.607 54.840 -0.012 0.000 0.855 2575 L CB 0.853 42.910 42.059 -0.004 0.000 1.114 2575 L HN 0.534 nan 8.230 nan 0.000 0.485 2576 P HA -0.001 nan 4.420 nan 0.000 0.269 2576 P C -0.244 177.049 177.300 -0.011 0.000 1.215 2576 P CA 0.040 63.132 63.100 -0.012 0.000 0.780 2576 P CB 0.235 31.928 31.700 -0.013 0.000 0.898 2577 N N -2.028 116.666 118.700 -0.010 0.000 2.666 2577 N HA -0.194 4.444 4.740 -0.169 0.000 0.248 2577 N C -0.092 175.411 175.510 -0.010 0.000 1.118 2577 N CA 0.428 53.471 53.050 -0.010 0.000 0.722 2577 N CB -0.961 37.519 38.487 -0.011 0.000 1.050 2577 N HN 0.550 nan 8.380 nan 0.000 0.550 2578 S N -2.105 113.589 115.700 -0.009 0.000 2.730 2578 S HA 0.449 4.817 4.470 -0.169 0.000 0.284 2578 S C 1.141 175.736 174.600 -0.009 0.000 1.153 2578 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 2578 S CB 1.998 65.194 63.200 -0.007 0.000 1.058 2578 S HN 0.081 nan 8.310 nan 0.000 0.552 2579 S N -0.126 115.568 115.700 -0.009 0.000 2.425 2579 S HA 0.083 4.452 4.470 -0.169 0.000 0.225 2579 S C 1.971 176.567 174.600 -0.007 0.000 1.024 2579 S CA 0.773 58.968 58.200 -0.009 0.000 0.951 2579 S CB -1.107 62.086 63.200 -0.012 0.000 0.796 2579 S HN 0.891 nan 8.310 nan 0.000 0.498 2580 A N 1.433 124.250 122.820 -0.005 0.000 1.898 2580 A HA 0.235 4.453 4.320 -0.169 0.000 0.216 2580 A C 2.398 179.980 177.584 -0.003 0.000 1.181 2580 A CA 1.747 53.784 52.037 -0.002 0.000 0.620 2580 A CB -1.304 17.698 19.000 0.003 0.000 0.819 2580 A HN 0.673 nan 8.150 nan 0.000 0.442 2581 A N -0.195 122.622 122.820 -0.005 0.000 1.841 2581 A HA -0.129 4.089 4.320 -0.169 0.000 0.214 2581 A C 2.188 179.769 177.584 -0.006 0.000 1.195 2581 A CA 1.998 54.031 52.037 -0.007 0.000 0.611 2581 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 2581 A HN 0.343 nan 8.150 nan 0.000 0.443 2582 K N 0.251 120.647 120.400 -0.007 0.000 1.987 2582 K HA -0.180 4.039 4.320 -0.169 0.000 0.216 2582 K C 2.164 178.760 176.600 -0.006 0.000 1.051 2582 K CA 2.083 58.366 56.287 -0.007 0.000 0.942 2582 K CB -0.907 31.588 32.500 -0.008 0.000 0.722 2582 K HN 0.363 nan 8.250 nan 0.000 0.444 2583 A N -0.078 122.739 122.820 -0.005 0.000 1.972 2583 A HA 0.083 4.302 4.320 -0.169 0.000 0.219 2583 A C 0.864 178.447 177.584 -0.002 0.000 1.169 2583 A CA 1.723 53.758 52.037 -0.004 0.000 0.635 2583 A CB -0.518 18.480 19.000 -0.004 0.000 0.810 2583 A HN 0.630 nan 8.150 nan 0.000 0.446 2584 G N -1.738 107.061 108.800 -0.002 0.000 3.088 2584 G HA2 0.366 4.224 3.960 -0.169 0.000 0.620 2584 G HA3 0.366 4.224 3.960 -0.169 0.000 0.620 2584 G C -0.949 173.952 174.900 0.002 0.000 1.375 2584 G CA -0.267 44.833 45.100 0.000 0.000 1.016 2584 G HN 0.846 nan 8.290 nan 0.000 0.590 2585 I N 0.464 121.036 120.570 0.002 0.000 2.397 2585 I HA 0.278 4.346 4.170 -0.169 0.000 0.311 2585 I C -1.097 175.020 176.117 0.000 0.000 2.151 2585 I CA -0.944 60.359 61.300 0.005 0.000 0.931 2585 I CB 2.179 40.182 38.000 0.006 0.000 1.653 2585 I HN 0.641 nan 8.210 nan 0.000 0.634 2586 K N 3.111 123.513 120.400 0.002 0.000 2.523 2586 K HA 0.729 4.948 4.320 -0.169 0.000 0.257 2586 K C -0.643 175.950 176.600 -0.011 0.000 0.932 2586 K CA -0.710 55.574 56.287 -0.006 0.000 0.812 2586 K CB 2.372 34.871 32.500 -0.000 0.000 1.326 2586 K HN 0.662 nan 8.250 nan 0.000 0.433 2587 A N 0.932 123.728 122.820 -0.040 0.000 2.609 2587 A HA 0.322 4.540 4.320 -0.169 0.000 0.232 2587 A C 1.224 178.801 177.584 -0.013 0.000 1.041 2587 A CA 1.801 53.787 52.037 -0.085 0.000 0.753 2587 A CB -0.671 18.258 19.000 -0.118 0.000 0.966 2587 A HN 1.033 nan 8.150 nan 0.000 0.510 2588 G N 1.507 110.316 108.800 0.015 0.000 2.604 2588 G HA2 -0.191 3.668 3.960 -0.169 0.000 0.205 2588 G HA3 -0.191 3.668 3.960 -0.169 0.000 0.205 2588 G C -0.009 175.070 174.900 0.300 0.000 1.186 2588 G CA 0.182 45.459 45.100 0.294 0.000 0.753 2588 G HN 0.933 nan 8.290 nan 0.000 0.526 2589 D N 1.312 121.801 120.400 0.148 0.000 2.548 2589 D HA 0.333 4.872 4.640 -0.169 0.000 0.231 2589 D C 0.398 176.800 176.300 0.171 0.000 1.142 2589 D CA 0.715 54.788 54.000 0.122 0.000 0.866 2589 D CB 1.693 42.537 40.800 0.072 0.000 1.190 2589 D HN 0.362 nan 8.370 nan 0.000 0.469 2590 V N 3.598 123.599 119.914 0.145 0.000 2.334 2590 V HA 0.154 4.172 4.120 -0.169 0.000 0.281 2590 V C 0.489 176.645 176.094 0.104 0.000 1.016 2590 V CA -0.919 61.477 62.300 0.159 0.000 0.832 2590 V CB 1.023 32.917 31.823 0.119 0.000 0.999 2590 V HN 0.299 nan 8.190 nan 0.000 0.439 2591 I N 4.383 125.017 120.570 0.106 0.000 2.710 2591 I HA 0.073 4.142 4.170 -0.169 0.000 0.286 2591 I C 1.463 177.617 176.117 0.061 0.000 1.181 2591 I CA 1.117 62.460 61.300 0.073 0.000 1.430 2591 I CB 0.874 38.914 38.000 0.067 0.000 1.367 2591 I HN 0.689 nan 8.210 nan 0.000 0.577 2592 T N 2.322 116.901 114.554 0.042 0.000 2.969 2592 T HA 0.190 4.439 4.350 -0.169 0.000 0.250 2592 T C 0.292 175.006 174.700 0.023 0.000 1.021 2592 T CA 0.358 62.477 62.100 0.032 0.000 1.003 2592 T CB 0.109 68.993 68.868 0.025 0.000 1.040 2592 T HN 0.731 nan 8.240 nan 0.000 0.492 2593 S N 0.395 116.106 115.700 0.019 0.000 2.625 2593 S HA 0.730 5.098 4.470 -0.169 0.000 0.271 2593 S C -1.805 172.798 174.600 0.006 0.000 1.161 2593 S CA -0.977 57.229 58.200 0.010 0.000 0.820 2593 S CB 1.846 65.051 63.200 0.008 0.000 1.137 2593 S HN 0.166 nan 8.310 nan 0.000 0.470 2594 L N 1.735 122.958 121.223 -0.001 0.000 2.504 2594 L HA 0.479 4.717 4.340 -0.169 0.000 0.265 2594 L C -1.130 175.736 176.870 -0.007 0.000 0.975 2594 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 2594 L CB 0.868 42.918 42.059 -0.015 0.000 1.212 2594 L HN 0.949 nan 8.230 nan 0.000 0.416 2595 N N 3.666 122.363 118.700 -0.006 0.000 2.746 2595 N HA -0.186 4.452 4.740 -0.169 0.000 0.250 2595 N C 0.876 176.384 175.510 -0.004 0.000 1.055 2595 N CA 1.382 54.429 53.050 -0.006 0.000 0.699 2595 N CB -1.031 37.451 38.487 -0.009 0.000 0.919 2595 N HN 1.128 nan 8.380 nan 0.000 0.548 2596 G N -1.705 107.094 108.800 -0.002 0.000 2.458 2596 G HA2 -0.405 3.453 3.960 -0.169 0.000 0.237 2596 G HA3 -0.405 3.453 3.960 -0.169 0.000 0.237 2596 G C 0.185 175.085 174.900 0.000 0.000 1.113 2596 G CA 0.889 45.989 45.100 -0.001 0.000 0.655 2596 G HN 0.529 nan 8.290 nan 0.000 0.513 2597 K N 2.257 122.656 120.400 -0.001 0.000 2.298 2597 K HA 0.509 4.727 4.320 -0.169 0.000 0.280 2597 K C -2.374 174.227 176.600 0.002 0.000 1.032 2597 K CA -1.554 54.733 56.287 -0.001 0.000 0.958 2597 K CB 0.722 33.221 32.500 -0.003 0.000 0.978 2597 K HN 0.151 nan 8.250 nan 0.000 0.472 2598 P HA -0.002 nan 4.420 nan 0.000 0.265 2598 P C -0.693 176.612 177.300 0.009 0.000 1.193 2598 P CA 0.195 63.299 63.100 0.007 0.000 0.765 2598 P CB 0.437 32.142 31.700 0.008 0.000 0.823 2599 I N 2.753 123.332 120.570 0.015 0.000 2.437 2599 I HA 0.082 4.150 4.170 -0.169 0.000 0.279 2599 I C 0.989 177.125 176.117 0.031 0.000 1.028 2599 I CA -0.087 61.224 61.300 0.018 0.000 1.142 2599 I CB 0.875 38.887 38.000 0.020 0.000 1.266 2599 I HN 0.317 nan 8.210 nan 0.000 0.461 2600 S N 2.843 118.561 115.700 0.030 0.000 2.548 2600 S HA 0.180 4.548 4.470 -0.169 0.000 0.215 2600 S C 0.569 175.202 174.600 0.054 0.000 0.976 2600 S CA -0.254 57.967 58.200 0.036 0.000 0.908 2600 S CB 0.023 63.239 63.200 0.026 0.000 0.781 2600 S HN 0.654 nan 8.310 nan 0.000 0.519 2601 S N -0.442 115.298 115.700 0.067 0.000 2.543 2601 S HA 0.540 4.909 4.470 -0.169 0.000 0.274 2601 S C -0.044 174.641 174.600 0.141 0.000 1.149 2601 S CA -0.832 57.432 58.200 0.106 0.000 0.866 2601 S CB 0.291 63.543 63.200 0.086 0.000 1.111 2601 S HN -0.025 nan 8.310 nan 0.000 0.457 2602 F N 2.623 122.595 119.950 0.037 0.000 2.087 2602 F HA -0.130 4.296 4.527 -0.169 0.000 0.299 2602 F C 2.568 178.383 175.800 0.025 0.000 1.100 2602 F CA 2.632 60.652 58.000 0.032 0.000 1.226 2602 F CB -0.991 38.029 39.000 0.034 0.000 0.983 2602 F HN 0.932 nan 8.300 nan 0.000 0.479 2603 A N 0.524 123.414 122.820 0.117 0.000 1.870 2603 A HA -0.296 3.922 4.320 -0.169 0.000 0.219 2603 A C 2.509 180.065 177.584 -0.048 0.000 1.224 2603 A CA 3.096 55.148 52.037 0.025 0.000 0.650 2603 A CB -1.816 17.225 19.000 0.068 0.000 0.836 2603 A HN 0.643 nan 8.150 nan 0.000 0.454 2604 A N -0.861 121.950 122.820 -0.015 0.000 1.903 2604 A HA -0.203 4.015 4.320 -0.169 0.000 0.219 2604 A C 2.314 179.855 177.584 -0.071 0.000 1.191 2604 A CA 1.944 53.966 52.037 -0.025 0.000 0.638 2604 A CB -0.754 18.244 19.000 -0.003 0.000 0.823 2604 A HN 0.665 nan 8.150 nan 0.000 0.451 2605 L N -1.436 119.717 121.223 -0.116 0.000 2.027 2605 L HA -0.166 4.072 4.340 -0.169 0.000 0.206 2605 L C 2.817 179.534 176.870 -0.254 0.000 1.074 2605 L CA 1.860 56.597 54.840 -0.172 0.000 0.745 2605 L CB -0.349 41.597 42.059 -0.189 0.000 0.898 2605 L HN 0.472 nan 8.230 nan 0.000 0.433 2606 R N -0.472 119.779 120.500 -0.415 0.000 2.105 2606 R HA -0.203 4.035 4.340 -0.169 0.000 0.239 2606 R C 2.158 178.350 176.300 -0.180 0.000 1.135 2606 R CA 1.565 57.432 56.100 -0.388 0.000 0.967 2606 R CB -0.233 29.792 30.300 -0.459 0.000 0.861 2606 R HN 0.512 nan 8.270 nan 0.000 0.442 2607 A N 0.111 122.857 122.820 -0.124 0.000 1.929 2607 A HA -0.137 4.082 4.320 -0.169 0.000 0.216 2607 A C 1.966 179.515 177.584 -0.059 0.000 1.176 2607 A CA 0.978 52.978 52.037 -0.061 0.000 0.628 2607 A CB -0.272 18.713 19.000 -0.026 0.000 0.816 2607 A HN 0.398 nan 8.150 nan 0.000 0.444 2608 Q N -0.148 119.611 119.800 -0.068 0.000 2.119 2608 Q HA -0.111 4.127 4.340 -0.169 0.000 0.201 2608 Q C 2.085 178.051 176.000 -0.058 0.000 0.972 2608 Q CA 1.872 57.642 55.803 -0.054 0.000 0.847 2608 Q CB -0.371 28.337 28.738 -0.050 0.000 0.903 2608 Q HN 0.707 nan 8.270 nan 0.000 0.433 2609 V N -2.879 116.989 119.914 -0.077 0.000 3.141 2609 V HA 0.045 4.064 4.120 -0.169 0.000 0.265 2609 V C 1.716 177.774 176.094 -0.059 0.000 1.126 2609 V CA 1.584 63.843 62.300 -0.069 0.000 1.141 2609 V CB -0.878 30.894 31.823 -0.086 0.000 0.743 2609 V HN 0.268 nan 8.190 nan 0.000 0.492 2610 G N -0.254 108.510 108.800 -0.059 0.000 2.985 2610 G HA2 0.085 3.943 3.960 -0.169 0.000 0.209 2610 G HA3 0.085 3.943 3.960 -0.169 0.000 0.209 2610 G C 0.916 175.792 174.900 -0.041 0.000 1.165 2610 G CA 0.717 45.789 45.100 -0.048 0.000 0.776 2610 G HN 0.503 nan 8.290 nan 0.000 0.541 2611 T N 1.131 115.661 114.554 -0.039 0.000 3.269 2611 T HA 0.469 4.717 4.350 -0.169 0.000 0.269 2611 T C -0.091 174.590 174.700 -0.032 0.000 0.993 2611 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 2611 T CB -0.170 68.680 68.868 -0.030 0.000 1.115 2611 T HN 0.096 nan 8.240 nan 0.000 0.543 2612 M N 1.918 121.497 119.600 -0.035 0.000 2.182 2612 M HA 0.352 4.731 4.480 -0.169 0.000 0.266 2612 M C -2.995 173.282 176.300 -0.038 0.000 0.989 2612 M CA -1.608 53.672 55.300 -0.034 0.000 1.003 2612 M CB 2.818 35.398 32.600 -0.034 0.000 1.812 2612 M HN -0.193 nan 8.290 nan 0.000 0.472 2613 P HA 0.249 nan 4.420 nan 0.000 0.274 2613 P C -0.414 176.853 177.300 -0.055 0.000 1.231 2613 P CA -0.537 62.533 63.100 -0.051 0.000 0.790 2613 P CB 0.541 32.209 31.700 -0.053 0.000 0.951 2614 V N 1.529 121.403 119.914 -0.066 0.000 3.212 2614 V HA -0.039 3.980 4.120 -0.169 0.000 0.280 2614 V C 1.925 177.985 176.094 -0.056 0.000 1.369 2614 V CA 1.694 63.956 62.300 -0.063 0.000 1.428 2614 V CB -1.290 30.485 31.823 -0.080 0.000 0.980 2614 V HN 1.058 nan 8.190 nan 0.000 0.527 2615 G N 2.194 110.966 108.800 -0.046 0.000 2.228 2615 G HA2 -0.307 3.552 3.960 -0.169 0.000 0.270 2615 G HA3 -0.307 3.552 3.960 -0.169 0.000 0.270 2615 G C 0.445 175.326 174.900 -0.033 0.000 0.976 2615 G CA 0.520 45.597 45.100 -0.039 0.000 0.636 2615 G HN 0.946 nan 8.290 nan 0.000 0.542 2616 S N 0.051 115.731 115.700 -0.033 0.000 2.589 2616 S HA 0.470 4.839 4.470 -0.169 0.000 0.265 2616 S C 0.461 175.047 174.600 -0.024 0.000 1.342 2616 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 2616 S CB 0.926 64.108 63.200 -0.029 0.000 0.909 2616 S HN 0.453 nan 8.310 nan 0.000 0.555 2617 K N 1.862 122.250 120.400 -0.020 0.000 2.413 2617 K HA 0.487 4.706 4.320 -0.169 0.000 0.257 2617 K C -1.045 175.546 176.600 -0.016 0.000 0.946 2617 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 2617 K CB 1.165 33.657 32.500 -0.014 0.000 1.109 2617 K HN 0.525 nan 8.250 nan 0.000 0.427 2618 L N 0.110 121.324 121.223 -0.015 0.000 2.446 2618 L HA 0.475 4.714 4.340 -0.169 0.000 0.268 2618 L C -0.521 176.343 176.870 -0.011 0.000 0.975 2618 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 2618 L CB 1.878 43.926 42.059 -0.018 0.000 1.225 2618 L HN 0.365 nan 8.230 nan 0.000 0.410 2619 T N 5.125 119.674 114.554 -0.008 0.000 2.749 2619 T HA 0.665 4.913 4.350 -0.169 0.000 0.295 2619 T C -0.381 174.318 174.700 -0.003 0.000 0.936 2619 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 2619 T CB 0.162 69.028 68.868 -0.004 0.000 0.904 2619 T HN 0.491 nan 8.240 nan 0.000 0.500 2620 L N 4.056 125.279 121.223 0.000 0.000 2.341 2620 L HA 0.847 5.086 4.340 -0.169 0.000 0.267 2620 L C 0.518 177.394 176.870 0.009 0.000 1.009 2620 L CA -1.242 53.600 54.840 0.004 0.000 0.819 2620 L CB 0.906 42.968 42.059 0.004 0.000 1.323 2620 L HN 0.607 nan 8.230 nan 0.000 0.425 2621 G N 1.684 110.492 108.800 0.012 0.000 2.325 2621 G HA2 0.645 4.504 3.960 -0.169 0.000 0.298 2621 G HA3 0.645 4.504 3.960 -0.169 0.000 0.298 2621 G C -0.532 174.382 174.900 0.023 0.000 1.134 2621 G CA -0.413 44.696 45.100 0.015 0.000 0.876 2621 G HN 0.514 nan 8.290 nan 0.000 0.452 2622 L N 0.941 122.179 121.223 0.025 0.000 2.376 2622 L HA 0.682 4.920 4.340 -0.169 0.000 0.267 2622 L C -0.255 176.635 176.870 0.034 0.000 1.035 2622 L CA -1.050 53.811 54.840 0.035 0.000 0.800 2622 L CB 2.029 44.108 42.059 0.034 0.000 1.290 2622 L HN 0.340 nan 8.230 nan 0.000 0.462 2623 L N 0.606 121.855 121.223 0.043 0.000 2.482 2623 L HA 0.429 4.667 4.340 -0.169 0.000 0.269 2623 L C -0.133 176.761 176.870 0.041 0.000 0.967 2623 L CA -0.088 54.774 54.840 0.036 0.000 0.851 2623 L CB 1.550 43.629 42.059 0.034 0.000 1.242 2623 L HN 0.638 nan 8.230 nan 0.000 0.404 2624 R N 1.118 121.636 120.500 0.030 0.000 2.716 2624 R HA 0.233 4.472 4.340 -0.169 0.000 0.186 2624 R C -0.149 176.162 176.300 0.019 0.000 0.830 2624 R CA 0.545 56.662 56.100 0.030 0.000 1.059 2624 R CB 0.791 31.108 30.300 0.029 0.000 1.531 2624 R HN 0.728 nan 8.270 nan 0.000 0.633 2625 D N -2.430 117.979 120.400 0.015 0.000 2.153 2625 D HA 0.146 4.685 4.640 -0.169 0.000 0.388 2625 D C 0.210 176.515 176.300 0.009 0.000 1.014 2625 D CA 0.764 54.770 54.000 0.010 0.000 0.906 2625 D CB 1.823 42.628 40.800 0.009 0.000 1.552 2625 D HN 0.313 nan 8.370 nan 0.000 0.522 2626 G N 1.809 110.616 108.800 0.012 0.000 2.885 2626 G HA2 -0.031 3.828 3.960 -0.169 0.000 0.233 2626 G HA3 -0.031 3.828 3.960 -0.169 0.000 0.233 2626 G C -0.633 174.274 174.900 0.012 0.000 2.964 2626 G CA -0.716 44.391 45.100 0.011 0.000 0.824 2626 G HN -0.157 nan 8.290 nan 0.000 0.441 2627 K N 0.525 120.934 120.400 0.015 0.000 2.130 2627 K HA 0.724 4.942 4.320 -0.169 0.000 0.268 2627 K C -0.123 176.486 176.600 0.015 0.000 0.983 2627 K CA -0.582 55.714 56.287 0.014 0.000 0.893 2627 K CB 2.440 34.950 32.500 0.017 0.000 1.066 2627 K HN 0.550 nan 8.250 nan 0.000 0.450 2628 Q N 1.099 120.906 119.800 0.012 0.000 2.353 2628 Q HA 0.501 4.740 4.340 -0.169 0.000 0.275 2628 Q C -1.625 174.380 176.000 0.008 0.000 1.029 2628 Q CA -0.645 55.164 55.803 0.011 0.000 0.848 2628 Q CB 1.937 30.680 28.738 0.009 0.000 1.390 2628 Q HN 0.372 nan 8.270 nan 0.000 0.401 2629 V N 1.889 121.808 119.914 0.007 0.000 3.167 2629 V HA 0.657 4.676 4.120 -0.169 0.000 0.310 2629 V C -1.104 174.991 176.094 0.002 0.000 1.207 2629 V CA -1.043 61.259 62.300 0.004 0.000 1.059 2629 V CB 2.251 34.076 31.823 0.004 0.000 1.079 2629 V HN 0.944 nan 8.190 nan 0.000 0.446 2630 N N 0.901 119.601 118.700 -0.000 0.000 2.225 2630 N HA 0.815 5.453 4.740 -0.169 0.000 0.298 2630 N C -1.047 174.460 175.510 -0.004 0.000 1.076 2630 N CA -0.453 52.596 53.050 -0.003 0.000 0.792 2630 N CB 2.377 40.862 38.487 -0.003 0.000 1.498 2630 N HN 1.074 nan 8.380 nan 0.000 0.474 2631 V N -1.582 118.328 119.914 -0.006 0.000 3.282 2631 V HA 0.619 4.637 4.120 -0.169 0.000 0.295 2631 V C -1.424 174.663 176.094 -0.011 0.000 1.451 2631 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 2631 V CB 1.754 33.572 31.823 -0.007 0.000 1.128 2631 V HN 0.956 nan 8.190 nan 0.000 0.456 2632 N N 1.867 120.559 118.700 -0.013 0.000 2.372 2632 N HA 0.534 5.172 4.740 -0.169 0.000 0.285 2632 N C -0.974 174.525 175.510 -0.019 0.000 1.008 2632 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 2632 N CB 1.849 40.326 38.487 -0.017 0.000 1.239 2632 N HN 0.914 nan 8.380 nan 0.000 0.484 2633 L N 0.834 122.044 121.223 -0.022 0.000 2.399 2633 L HA 0.637 4.875 4.340 -0.169 0.000 0.265 2633 L C 0.649 177.503 176.870 -0.028 0.000 1.089 2633 L CA -0.514 54.312 54.840 -0.023 0.000 0.802 2633 L CB 0.186 42.230 42.059 -0.025 0.000 1.180 2633 L HN 0.549 nan 8.230 nan 0.000 0.454 2634 E N 0.955 121.138 120.200 -0.027 0.000 2.316 2634 E HA 0.354 4.602 4.350 -0.169 0.000 0.258 2634 E C -0.689 175.891 176.600 -0.033 0.000 0.952 2634 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 2634 E CB 1.410 31.094 29.700 -0.027 0.000 1.260 2634 E HN 0.543 nan 8.360 nan 0.000 0.416 2635 L N 1.843 123.043 121.223 -0.039 0.000 2.593 2635 L HA -0.072 4.166 4.340 -0.169 0.000 0.287 2635 L C 0.822 177.676 176.870 -0.027 0.000 1.243 2635 L CA 0.994 55.811 54.840 -0.038 0.000 0.890 2635 L CB 0.107 42.141 42.059 -0.042 0.000 1.134 2635 L HN 0.824 nan 8.230 nan 0.000 0.502 2636 Q N 3.174 122.960 119.800 -0.024 0.000 2.651 2636 Q HA -0.031 4.208 4.340 -0.169 0.000 0.224 2636 Q C 0.695 176.688 176.000 -0.011 0.000 1.094 2636 Q CA 0.147 55.941 55.803 -0.015 0.000 1.018 2636 Q CB 0.608 29.337 28.738 -0.014 0.000 1.292 2636 Q HN 0.698 nan 8.270 nan 0.000 0.588 2637 Q N 0.389 120.186 119.800 -0.006 0.000 2.281 2637 Q HA 0.098 4.337 4.340 -0.169 0.000 0.215 2637 Q C 1.046 177.045 176.000 -0.001 0.000 0.867 2637 Q CA 0.583 56.383 55.803 -0.004 0.000 0.940 2637 Q CB 0.344 29.080 28.738 -0.004 0.000 1.111 2637 Q HN 0.600 nan 8.270 nan 0.000 0.513 2638 S N 2.130 117.831 115.700 0.002 0.000 2.356 2638 S HA -0.045 4.323 4.470 -0.169 0.000 0.223 2638 S C 0.963 175.566 174.600 0.006 0.000 1.032 2638 S CA 1.119 59.323 58.200 0.007 0.000 1.005 2638 S CB -0.097 63.110 63.200 0.011 0.000 0.867 2638 S HN 0.669 nan 8.310 nan 0.000 0.449 2639 S N 1.972 117.674 115.700 0.003 0.000 2.411 2639 S HA 0.572 4.941 4.470 -0.169 0.000 0.304 2639 S C -0.533 174.067 174.600 0.001 0.000 1.098 2639 S CA -0.701 57.501 58.200 0.003 0.000 1.068 2639 S CB 0.714 63.916 63.200 0.002 0.000 1.032 2639 S HN 0.348 nan 8.310 nan 0.000 0.511 2640 Q N 2.298 122.099 119.800 0.001 0.000 2.605 2640 Q HA 0.528 4.766 4.340 -0.169 0.000 0.296 2640 Q C -0.751 175.248 176.000 -0.003 0.000 1.056 2640 Q CA -1.156 54.645 55.803 -0.002 0.000 0.778 2640 Q CB 1.408 30.143 28.738 -0.005 0.000 1.497 2640 Q HN 0.675 nan 8.270 nan 0.000 0.443 2641 N N -0.116 118.579 118.700 -0.007 0.000 2.525 2641 N HA 0.383 5.021 4.740 -0.169 0.000 0.288 2641 N C -0.398 175.096 175.510 -0.027 0.000 1.242 2641 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 2641 N CB 1.825 40.307 38.487 -0.007 0.000 1.258 2641 N HN 0.501 nan 8.380 nan 0.000 0.551 2642 Q N -0.434 119.341 119.800 -0.042 0.000 1.734 2642 Q HA 0.163 4.401 4.340 -0.169 0.000 0.147 2642 Q C 0.847 176.772 176.000 -0.126 0.000 0.447 2642 Q CA -0.178 55.578 55.803 -0.078 0.000 0.734 2642 Q CB 0.178 28.868 28.738 -0.080 0.000 0.855 2642 Q HN 0.449 nan 8.270 nan 0.000 0.259 2643 V N -0.579 119.232 119.914 -0.171 0.000 3.271 2643 V HA 0.289 4.307 4.120 -0.169 0.000 0.327 2643 V C -0.006 176.026 176.094 -0.103 0.000 1.389 2643 V CA 0.870 63.020 62.300 -0.250 0.000 1.156 2643 V CB -0.052 31.424 31.823 -0.579 0.000 1.103 2643 V HN 0.590 nan 8.190 nan 0.000 0.453 2644 D N -1.199 119.172 120.400 -0.049 0.000 2.433 2644 D HA 0.117 4.656 4.640 -0.169 0.000 0.211 2644 D C 1.624 177.928 176.300 0.007 0.000 1.114 2644 D CA 0.757 54.756 54.000 -0.002 0.000 0.837 2644 D CB 0.605 41.412 40.800 0.011 0.000 0.984 2644 D HN 0.276 nan 8.370 nan 0.000 0.505 2645 S N -0.494 115.203 115.700 -0.006 0.000 2.348 2645 S HA 0.049 4.417 4.470 -0.169 0.000 0.219 2645 S C 0.791 175.399 174.600 0.013 0.000 1.033 2645 S CA 0.262 58.465 58.200 0.005 0.000 0.974 2645 S CB -0.045 63.154 63.200 -0.002 0.000 0.868 2645 S HN 0.202 nan 8.310 nan 0.000 0.459 2646 S N 2.200 117.905 115.700 0.009 0.000 2.410 2646 S HA 0.205 4.574 4.470 -0.169 0.000 0.304 2646 S C 1.154 175.776 174.600 0.036 0.000 1.095 2646 S CA -0.451 57.763 58.200 0.022 0.000 1.089 2646 S CB 1.352 64.564 63.200 0.021 0.000 0.968 2646 S HN 0.540 nan 8.310 nan 0.000 0.480 2647 S N 2.994 118.720 115.700 0.042 0.000 2.461 2647 S HA -0.214 4.154 4.470 -0.169 0.000 0.249 2647 S C 1.300 175.947 174.600 0.078 0.000 1.012 2647 S CA 0.943 59.176 58.200 0.055 0.000 0.982 2647 S CB -0.594 62.633 63.200 0.046 0.000 0.764 2647 S HN 0.656 nan 8.310 nan 0.000 0.506 2648 I N 0.175 120.794 120.570 0.082 0.000 3.252 2648 I HA 0.445 4.513 4.170 -0.169 0.000 0.151 2648 I C 0.281 176.531 176.117 0.220 0.000 1.031 2648 I CA 0.757 62.129 61.300 0.120 0.000 1.364 2648 I CB -0.011 38.049 38.000 0.099 0.000 1.211 2648 I HN 0.397 nan 8.210 nan 0.000 0.436 2649 F N -0.596 119.364 119.950 0.017 0.000 2.765 2649 F HA 0.256 4.682 4.527 -0.170 0.000 0.313 2649 F C -0.644 175.166 175.800 0.017 0.000 1.136 2649 F CA -0.570 57.440 58.000 0.017 0.000 0.952 2649 F CB 0.190 39.199 39.000 0.015 0.000 1.268 2649 F HN 0.482 nan 8.300 nan 0.000 0.441 2650 N N 1.199 119.470 118.700 -0.714 0.000 2.448 2650 N HA 0.339 4.978 4.740 -0.169 0.000 0.203 2650 N C -1.884 173.300 175.510 -0.543 0.000 1.794 2650 N CA -0.592 52.246 53.050 -0.353 0.000 1.445 2650 N CB 0.660 39.042 38.487 -0.175 0.000 1.055 2650 N HN 0.546 nan 8.380 nan 0.000 0.859 2651 E N 0.009 120.182 120.200 -0.044 0.000 2.956 2651 E HA 0.270 4.518 4.350 -0.169 0.000 0.353 2651 E C -1.194 175.392 176.600 -0.023 0.000 1.131 2651 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 2651 E CB 0.750 30.434 29.700 -0.026 0.000 1.500 2651 E HN 0.212 nan 8.360 nan 0.000 0.384 2652 M N 0.730 120.318 119.600 -0.021 0.000 2.278 2652 M HA 0.530 4.909 4.480 -0.169 0.000 0.227 2652 M C 0.484 176.778 176.300 -0.010 0.000 1.138 2652 M CA -0.209 55.083 55.300 -0.014 0.000 1.014 2652 M CB 0.810 33.403 32.600 -0.011 0.000 1.289 2652 M HN 0.300 nan 8.290 nan 0.000 0.567 2653 S N -1.981 113.714 115.700 -0.007 0.000 2.663 2653 S HA 0.474 4.843 4.470 -0.169 0.000 0.264 2653 S C -1.557 173.039 174.600 -0.006 0.000 1.112 2653 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 2653 S CB 0.488 63.682 63.200 -0.009 0.000 1.111 2653 S HN 0.567 nan 8.310 nan 0.000 0.476 2654 N N 0.734 119.428 118.700 -0.010 0.000 2.483 2654 N HA 0.527 5.166 4.740 -0.169 0.000 0.269 2654 N C -0.797 174.697 175.510 -0.027 0.000 1.209 2654 N CA -0.265 52.774 53.050 -0.018 0.000 0.969 2654 N CB 1.017 39.485 38.487 -0.032 0.000 1.173 2654 N HN 0.627 nan 8.380 nan 0.000 0.475 2655 K N 0.385 120.768 120.400 -0.028 0.000 2.413 2655 K HA 0.469 4.687 4.320 -0.169 0.000 0.257 2655 K C 0.490 177.066 176.600 -0.038 0.000 0.946 2655 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 2655 K CB 0.807 33.295 32.500 -0.020 0.000 1.109 2655 K HN 0.686 nan 8.250 nan 0.000 0.427 2656 G N 3.781 112.555 108.800 -0.044 0.000 2.568 2656 G HA2 -0.374 3.485 3.960 -0.169 0.000 0.334 2656 G HA3 -0.374 3.485 3.960 -0.169 0.000 0.334 2656 G C -0.119 174.741 174.900 -0.068 0.000 1.348 2656 G CA 0.590 45.660 45.100 -0.050 0.000 0.949 2656 G HN 0.737 nan 8.290 nan 0.000 0.532 2657 K N 0.640 121.004 120.400 -0.061 0.000 2.797 2657 K HA 0.105 4.323 4.320 -0.169 0.000 0.307 2657 K C 0.530 177.095 176.600 -0.058 0.000 1.072 2657 K CA 0.645 56.889 56.287 -0.071 0.000 0.981 2657 K CB -0.725 31.746 32.500 -0.048 0.000 1.078 2657 K HN 0.444 nan 8.250 nan 0.000 0.459 2658 D N 1.224 121.602 120.400 -0.037 0.000 2.941 2658 D HA 0.012 4.551 4.640 -0.169 0.000 0.236 2658 D C -0.298 175.999 176.300 -0.004 0.000 1.147 2658 D CA 0.422 54.416 54.000 -0.010 0.000 0.975 2658 D CB -0.486 40.323 40.800 0.015 0.000 1.162 2658 D HN 0.231 nan 8.370 nan 0.000 0.444 2659 Q N 0.732 120.524 119.800 -0.012 0.000 2.819 2659 Q HA 0.384 4.622 4.340 -0.169 0.000 0.392 2659 Q C 0.813 176.811 176.000 -0.003 0.000 1.088 2659 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 2659 Q CB 0.869 29.599 28.738 -0.012 0.000 1.369 2659 Q HN 0.426 nan 8.270 nan 0.000 0.434 2660 G N -0.235 108.568 108.800 0.005 0.000 2.750 2660 G HA2 -0.247 3.612 3.960 -0.169 0.000 0.228 2660 G HA3 -0.247 3.612 3.960 -0.169 0.000 0.228 2660 G C -0.637 174.266 174.900 0.005 0.000 1.367 2660 G CA -0.741 44.364 45.100 0.009 0.000 0.871 2660 G HN 0.261 nan 8.290 nan 0.000 0.560 2661 V N 0.170 120.089 119.914 0.007 0.000 2.349 2661 V HA 0.499 4.518 4.120 -0.169 0.000 0.284 2661 V C 0.638 176.731 176.094 -0.002 0.000 1.014 2661 V CA -0.655 61.647 62.300 0.004 0.000 0.826 2661 V CB 1.345 33.175 31.823 0.011 0.000 1.009 2661 V HN 0.843 nan 8.190 nan 0.000 0.431 2662 V N 5.900 125.810 119.914 -0.007 0.000 2.488 2662 V HA 0.249 4.268 4.120 -0.169 0.000 0.277 2662 V C 0.317 176.405 176.094 -0.011 0.000 1.046 2662 V CA -0.010 62.284 62.300 -0.010 0.000 0.986 2662 V CB 1.813 33.628 31.823 -0.013 0.000 0.989 2662 V HN 0.653 nan 8.190 nan 0.000 0.475 2663 V N 7.683 127.590 119.914 -0.012 0.000 2.607 2663 V HA 0.447 4.465 4.120 -0.169 0.000 0.289 2663 V C 0.373 176.458 176.094 -0.013 0.000 1.053 2663 V CA -0.271 62.021 62.300 -0.013 0.000 0.996 2663 V CB 1.401 33.216 31.823 -0.013 0.000 0.995 2663 V HN 0.973 nan 8.190 nan 0.000 0.476 2664 N N 3.774 122.466 118.700 -0.014 0.000 2.752 2664 N HA 0.292 4.931 4.740 -0.169 0.000 0.316 2664 N C -0.335 175.168 175.510 -0.012 0.000 1.343 2664 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 2664 N CB -0.001 38.478 38.487 -0.012 0.000 1.120 2664 N HN 0.687 nan 8.380 nan 0.000 0.562 2665 N N 1.744 120.437 118.700 -0.011 0.000 2.291 2665 N HA -0.046 4.592 4.740 -0.169 0.000 0.281 2665 N C 0.043 175.547 175.510 -0.010 0.000 1.388 2665 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 2665 N CB -0.229 38.254 38.487 -0.008 0.000 1.276 2665 N HN 0.272 nan 8.380 nan 0.000 0.493 2666 V N 0.536 120.445 119.914 -0.009 0.000 3.185 2666 V HA 0.305 4.324 4.120 -0.169 0.000 0.305 2666 V C 0.973 177.064 176.094 -0.005 0.000 1.090 2666 V CA -0.342 61.953 62.300 -0.009 0.000 1.107 2666 V CB 1.028 32.846 31.823 -0.007 0.000 1.061 2666 V HN 0.297 nan 8.190 nan 0.000 0.480 2667 K N 1.150 121.548 120.400 -0.003 0.000 2.642 2667 K HA 0.510 4.729 4.320 -0.169 0.000 0.273 2667 K C 1.268 177.873 176.600 0.009 0.000 1.029 2667 K CA -0.006 56.283 56.287 0.004 0.000 1.071 2667 K CB 0.595 33.098 32.500 0.006 0.000 1.451 2667 K HN 0.830 nan 8.250 nan 0.000 0.559 2668 T N -0.229 114.335 114.554 0.015 0.000 3.010 2668 T HA 0.012 4.260 4.350 -0.169 0.000 0.252 2668 T C 1.652 176.366 174.700 0.024 0.000 1.047 2668 T CA 1.012 63.123 62.100 0.018 0.000 1.140 2668 T CB -0.203 68.677 68.868 0.020 0.000 0.885 2668 T HN 0.699 nan 8.240 nan 0.000 0.464 2669 G N 1.946 110.765 108.800 0.032 0.000 2.448 2669 G HA2 -0.149 3.709 3.960 -0.169 0.000 0.219 2669 G HA3 -0.149 3.709 3.960 -0.169 0.000 0.219 2669 G C 1.059 175.981 174.900 0.037 0.000 1.127 2669 G CA 1.635 46.760 45.100 0.042 0.000 0.766 2669 G HN 0.699 nan 8.290 nan 0.000 0.552 2670 T N -2.690 111.881 114.554 0.028 0.000 3.996 2670 T HA -0.193 4.056 4.350 -0.169 0.000 0.348 2670 T C -0.741 173.975 174.700 0.027 0.000 0.757 2670 T CA 1.118 63.230 62.100 0.021 0.000 1.898 2670 T CB -2.253 66.626 68.868 0.017 0.000 1.861 2670 T HN 0.423 nan 8.240 nan 0.000 0.821 2671 P HA 0.151 nan 4.420 nan 0.000 0.218 2671 P C 1.752 179.071 177.300 0.032 0.000 1.149 2671 P CA 1.446 64.577 63.100 0.051 0.000 0.817 2671 P CB -0.255 31.499 31.700 0.089 0.000 0.785 2672 A N -0.658 122.169 122.820 0.013 0.000 2.044 2672 A HA 0.280 4.498 4.320 -0.169 0.000 0.213 2672 A C 2.166 179.752 177.584 0.003 0.000 1.169 2672 A CA 1.074 53.113 52.037 0.003 0.000 0.724 2672 A CB -1.167 17.823 19.000 -0.016 0.000 0.840 2672 A HN 0.139 nan 8.150 nan 0.000 0.463 2673 A N -0.467 122.355 122.820 0.004 0.000 1.929 2673 A HA -0.138 4.081 4.320 -0.169 0.000 0.216 2673 A C 1.988 179.576 177.584 0.006 0.000 1.176 2673 A CA 1.413 53.451 52.037 0.002 0.000 0.628 2673 A CB -0.510 18.492 19.000 0.002 0.000 0.816 2673 A HN 0.558 nan 8.150 nan 0.000 0.444 2674 Q N -1.462 118.346 119.800 0.012 0.000 2.368 2674 Q HA -0.105 4.134 4.340 -0.169 0.000 0.210 2674 Q C 0.867 176.876 176.000 0.015 0.000 0.982 2674 Q CA 0.827 56.640 55.803 0.015 0.000 0.884 2674 Q CB -0.140 28.611 28.738 0.022 0.000 0.933 2674 Q HN 0.604 nan 8.270 nan 0.000 0.460 2675 I N -0.543 120.036 120.570 0.014 0.000 3.858 2675 I HA 0.157 4.225 4.170 -0.169 0.000 0.325 2675 I C 0.631 176.753 176.117 0.008 0.000 1.403 2675 I CA 0.480 61.789 61.300 0.015 0.000 1.169 2675 I CB 0.040 38.051 38.000 0.019 0.000 1.077 2675 I HN 0.206 nan 8.210 nan 0.000 0.403 2676 G N 0.969 109.770 108.800 0.003 0.000 2.160 2676 G HA2 -0.220 3.638 3.960 -0.169 0.000 0.244 2676 G HA3 -0.220 3.638 3.960 -0.169 0.000 0.244 2676 G C -0.252 174.640 174.900 -0.013 0.000 1.022 2676 G CA -0.007 45.090 45.100 -0.006 0.000 0.741 2676 G HN 0.208 nan 8.290 nan 0.000 0.508 2677 L N 0.515 121.733 121.223 -0.009 0.000 2.294 2677 L HA 0.566 4.804 4.340 -0.169 0.000 0.283 2677 L C 0.804 177.667 176.870 -0.012 0.000 1.015 2677 L CA -0.505 54.327 54.840 -0.013 0.000 0.831 2677 L CB 1.393 43.446 42.059 -0.010 0.000 1.217 2677 L HN 0.291 nan 8.230 nan 0.000 0.420 2678 K N 2.038 122.428 120.400 -0.016 0.000 3.015 2678 K HA 0.237 4.455 4.320 -0.169 0.000 0.340 2678 K C 0.882 177.475 176.600 -0.013 0.000 1.002 2678 K CA -0.011 56.268 56.287 -0.014 0.000 1.190 2678 K CB 0.534 33.024 32.500 -0.017 0.000 1.241 2678 K HN 0.454 nan 8.250 nan 0.000 0.507 2679 K N -1.003 119.389 120.400 -0.013 0.000 2.262 2679 K HA 0.096 4.315 4.320 -0.169 0.000 0.200 2679 K C 0.504 177.096 176.600 -0.014 0.000 1.049 2679 K CA 0.747 57.027 56.287 -0.012 0.000 0.979 2679 K CB 0.595 33.089 32.500 -0.011 0.000 0.773 2679 K HN 0.552 nan 8.250 nan 0.000 0.474 2680 G N 2.092 110.883 108.800 -0.015 0.000 4.713 2680 G HA2 0.165 4.023 3.960 -0.169 0.000 0.318 2680 G HA3 0.165 4.023 3.960 -0.169 0.000 0.318 2680 G C -1.615 173.274 174.900 -0.018 0.000 1.435 2680 G CA -0.463 44.627 45.100 -0.016 0.000 0.965 2680 G HN -0.029 nan 8.290 nan 0.000 0.542 2681 D N 1.006 121.395 120.400 -0.019 0.000 2.414 2681 D HA 0.429 4.967 4.640 -0.169 0.000 0.232 2681 D C 0.560 176.850 176.300 -0.018 0.000 1.070 2681 D CA -0.268 53.719 54.000 -0.022 0.000 0.839 2681 D CB 2.390 43.175 40.800 -0.024 0.000 1.079 2681 D HN 0.095 nan 8.370 nan 0.000 0.521 2682 V N 2.258 122.161 119.914 -0.018 0.000 3.214 2682 V HA 0.407 4.425 4.120 -0.169 0.000 0.306 2682 V C 0.644 176.733 176.094 -0.007 0.000 1.078 2682 V CA -0.581 61.712 62.300 -0.011 0.000 1.077 2682 V CB 0.995 32.812 31.823 -0.010 0.000 1.121 2682 V HN 0.486 nan 8.190 nan 0.000 0.468 2683 I N 2.618 123.190 120.570 0.003 0.000 2.719 2683 I HA 0.246 4.315 4.170 -0.169 0.000 0.275 2683 I C 0.165 176.295 176.117 0.022 0.000 1.228 2683 I CA -0.180 61.128 61.300 0.013 0.000 1.035 2683 I CB 1.285 39.294 38.000 0.015 0.000 1.286 2683 I HN 0.462 nan 8.210 nan 0.000 0.531 2684 I N 1.898 122.484 120.570 0.026 0.000 3.419 2684 I HA 0.134 4.202 4.170 -0.169 0.000 0.286 2684 I C 1.450 177.592 176.117 0.042 0.000 1.268 2684 I CA 0.627 61.945 61.300 0.030 0.000 1.414 2684 I CB -0.701 37.316 38.000 0.028 0.000 1.074 2684 I HN 0.428 nan 8.210 nan 0.000 0.457 2685 G N 1.529 110.363 108.800 0.056 0.000 2.350 2685 G HA2 0.465 4.324 3.960 -0.169 0.000 0.306 2685 G HA3 0.465 4.324 3.960 -0.169 0.000 0.306 2685 G C 0.458 175.391 174.900 0.056 0.000 1.094 2685 G CA -0.251 44.890 45.100 0.068 0.000 0.953 2685 G HN 0.281 nan 8.290 nan 0.000 0.420 2686 A N 3.482 126.327 122.820 0.042 0.000 3.004 2686 A HA 0.264 4.483 4.320 -0.169 0.000 0.252 2686 A C 1.410 179.014 177.584 0.033 0.000 1.802 2686 A CA 0.275 52.332 52.037 0.034 0.000 1.424 2686 A CB -1.032 17.984 19.000 0.027 0.000 1.005 2686 A HN 1.396 nan 8.150 nan 0.000 0.631 2687 N N -0.229 118.497 118.700 0.043 0.000 2.815 2687 N HA -0.339 4.300 4.740 -0.169 0.000 0.247 2687 N C 0.889 176.412 175.510 0.023 0.000 1.030 2687 N CA 2.775 55.849 53.050 0.040 0.000 0.881 2687 N CB -0.683 37.822 38.487 0.030 0.000 1.134 2687 N HN 0.915 nan 8.380 nan 0.000 0.582 2688 Q N -5.438 114.375 119.800 0.021 0.000 7.202 2688 Q HA -0.054 4.185 4.340 -0.169 0.000 0.338 2688 Q C -0.011 175.994 176.000 0.009 0.000 0.933 2688 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 2688 Q CB -0.381 28.352 28.738 -0.008 0.000 0.472 2688 Q HN 0.403 nan 8.270 nan 0.000 0.823 2689 Q N 0.960 120.770 119.800 0.017 0.000 2.665 2689 Q HA 0.785 5.024 4.340 -0.169 0.000 0.176 2689 Q C -0.580 175.436 176.000 0.026 0.000 1.025 2689 Q CA 0.025 55.839 55.803 0.018 0.000 0.953 2689 Q CB 1.402 30.149 28.738 0.015 0.000 2.143 2689 Q HN 0.360 nan 8.270 nan 0.000 0.464 2690 A N 0.609 123.443 122.820 0.024 0.000 2.320 2690 A HA 0.415 4.633 4.320 -0.169 0.000 0.287 2690 A C -0.636 176.965 177.584 0.029 0.000 1.181 2690 A CA -0.267 51.785 52.037 0.026 0.000 0.831 2690 A CB 0.337 19.351 19.000 0.023 0.000 1.102 2690 A HN 0.317 nan 8.150 nan 0.000 0.513 2691 V N 5.357 125.289 119.914 0.031 0.000 2.320 2691 V HA 0.091 4.110 4.120 -0.169 0.000 0.257 2691 V C 1.215 177.328 176.094 0.031 0.000 0.996 2691 V CA -0.354 61.965 62.300 0.032 0.000 0.928 2691 V CB 0.451 32.292 31.823 0.031 0.000 1.169 2691 V HN 1.110 nan 8.190 nan 0.000 0.475 2692 K N 1.450 121.871 120.400 0.035 0.000 2.365 2692 K HA -0.000 4.218 4.320 -0.169 0.000 0.199 2692 K C 0.378 177.002 176.600 0.040 0.000 1.045 2692 K CA 0.918 57.225 56.287 0.033 0.000 0.962 2692 K CB 0.102 32.624 32.500 0.038 0.000 0.759 2692 K HN 0.696 nan 8.250 nan 0.000 0.469 2693 N N -1.067 117.664 118.700 0.052 0.000 2.961 2693 N HA 0.153 4.792 4.740 -0.169 0.000 0.245 2693 N C 0.216 175.760 175.510 0.058 0.000 1.404 2693 N CA -0.830 52.259 53.050 0.064 0.000 0.880 2693 N CB 0.171 38.732 38.487 0.123 0.000 1.461 2693 N HN -0.124 nan 8.380 nan 0.000 0.510 2694 I N -0.231 120.372 120.570 0.056 0.000 2.423 2694 I HA -0.206 3.863 4.170 -0.169 0.000 0.254 2694 I C 2.202 178.345 176.117 0.043 0.000 1.151 2694 I CA 1.649 62.974 61.300 0.043 0.000 1.421 2694 I CB -0.572 37.450 38.000 0.037 0.000 1.079 2694 I HN 0.754 nan 8.210 nan 0.000 0.431 2695 A N 0.726 123.578 122.820 0.054 0.000 1.855 2695 A HA -0.200 4.019 4.320 -0.169 0.000 0.215 2695 A C 2.281 179.883 177.584 0.029 0.000 1.191 2695 A CA 1.548 53.604 52.037 0.032 0.000 0.613 2695 A CB -0.506 18.500 19.000 0.009 0.000 0.829 2695 A HN 0.397 nan 8.150 nan 0.000 0.442 2696 E N -0.387 119.835 120.200 0.036 0.000 2.017 2696 E HA -0.166 4.082 4.350 -0.169 0.000 0.193 2696 E C 2.081 178.698 176.600 0.029 0.000 0.997 2696 E CA 1.030 57.449 56.400 0.031 0.000 0.804 2696 E CB -0.312 29.410 29.700 0.036 0.000 0.757 2696 E HN 0.489 nan 8.360 nan 0.000 0.448 2697 L N 1.603 122.845 121.223 0.032 0.000 1.978 2697 L HA -0.274 3.965 4.340 -0.169 0.000 0.218 2697 L C 2.398 179.284 176.870 0.027 0.000 1.075 2697 L CA 2.020 56.877 54.840 0.028 0.000 0.767 2697 L CB -0.641 41.434 42.059 0.027 0.000 0.890 2697 L HN 0.098 nan 8.230 nan 0.000 0.434 2698 R N 0.034 120.550 120.500 0.027 0.000 2.193 2698 R HA -0.226 4.012 4.340 -0.169 0.000 0.229 2698 R C 2.272 178.588 176.300 0.028 0.000 1.110 2698 R CA 1.576 57.693 56.100 0.027 0.000 0.988 2698 R CB -0.078 30.239 30.300 0.028 0.000 0.871 2698 R HN 0.363 nan 8.270 nan 0.000 0.458 2699 K N -0.573 119.843 120.400 0.027 0.000 2.288 2699 K HA -0.031 4.188 4.320 -0.169 0.000 0.201 2699 K C 1.325 177.937 176.600 0.021 0.000 1.048 2699 K CA 0.964 57.266 56.287 0.024 0.000 0.956 2699 K CB 0.392 32.905 32.500 0.021 0.000 0.746 2699 K HN 0.050 nan 8.250 nan 0.000 0.461 2700 V N 0.488 120.415 119.914 0.022 0.000 2.795 2700 V HA -0.002 4.017 4.120 -0.169 0.000 0.243 2700 V C 1.562 177.669 176.094 0.021 0.000 1.069 2700 V CA 0.627 62.940 62.300 0.020 0.000 1.089 2700 V CB -0.133 31.703 31.823 0.021 0.000 0.756 2700 V HN 0.215 nan 8.190 nan 0.000 0.471 2701 L N 0.950 122.188 121.223 0.024 0.000 2.737 2701 L HA 0.043 4.282 4.340 -0.169 0.000 0.246 2701 L C 1.471 178.357 176.870 0.026 0.000 1.153 2701 L CA 1.088 55.943 54.840 0.026 0.000 0.920 2701 L CB -0.499 41.576 42.059 0.027 0.000 1.090 2701 L HN 0.443 nan 8.230 nan 0.000 0.430 2702 D N -1.431 118.984 120.400 0.024 0.000 2.415 2702 D HA -0.074 4.464 4.640 -0.169 0.000 0.269 2702 D C 2.010 178.321 176.300 0.018 0.000 1.099 2702 D CA 0.862 54.876 54.000 0.023 0.000 0.865 2702 D CB 0.418 41.233 40.800 0.025 0.000 1.359 2702 D HN 0.092 nan 8.370 nan 0.000 0.506 2703 S N 0.023 115.733 115.700 0.016 0.000 2.387 2703 S HA -0.036 4.333 4.470 -0.169 0.000 0.221 2703 S C 0.994 175.602 174.600 0.012 0.000 1.041 2703 S CA 0.196 58.404 58.200 0.012 0.000 0.959 2703 S CB -0.470 62.737 63.200 0.011 0.000 0.843 2703 S HN 0.276 nan 8.310 nan 0.000 0.488 2704 K N 1.540 121.948 120.400 0.014 0.000 2.533 2704 K HA 0.509 4.728 4.320 -0.169 0.000 0.207 2704 K C -2.845 173.765 176.600 0.016 0.000 1.052 2704 K CA -1.661 54.634 56.287 0.013 0.000 1.030 2704 K CB 1.112 33.619 32.500 0.011 0.000 1.522 2704 K HN 0.071 nan 8.250 nan 0.000 0.543 2705 P HA -0.088 nan 4.420 nan 0.000 0.252 2705 P C 0.449 177.760 177.300 0.018 0.000 1.265 2705 P CA 0.371 63.483 63.100 0.020 0.000 0.775 2705 P CB 0.348 32.061 31.700 0.021 0.000 1.128 2706 S N -1.732 113.977 115.700 0.015 0.000 2.288 2706 S HA 0.033 4.402 4.470 -0.169 0.000 0.191 2706 S C 0.771 175.380 174.600 0.015 0.000 1.028 2706 S CA 0.374 58.583 58.200 0.013 0.000 1.030 2706 S CB -0.869 62.337 63.200 0.010 0.000 0.932 2706 S HN -0.110 nan 8.310 nan 0.000 0.463 2707 V N 2.673 122.595 119.914 0.013 0.000 2.427 2707 V HA 0.667 4.685 4.120 -0.169 0.000 0.286 2707 V C -0.767 175.337 176.094 0.017 0.000 1.034 2707 V CA -0.613 61.695 62.300 0.014 0.000 0.893 2707 V CB 1.012 32.840 31.823 0.008 0.000 0.982 2707 V HN 0.568 nan 8.190 nan 0.000 0.452 2708 L N 5.142 126.378 121.223 0.023 0.000 2.404 2708 L HA 0.879 5.118 4.340 -0.169 0.000 0.272 2708 L C -0.186 176.706 176.870 0.037 0.000 0.980 2708 L CA -0.341 54.516 54.840 0.029 0.000 0.836 2708 L CB 1.506 43.583 42.059 0.031 0.000 1.238 2708 L HN 0.706 nan 8.230 nan 0.000 0.408 2709 A N 5.989 128.835 122.820 0.044 0.000 2.409 2709 A HA 0.618 4.837 4.320 -0.169 0.000 0.300 2709 A C -1.256 176.385 177.584 0.095 0.000 1.273 2709 A CA -0.517 51.562 52.037 0.071 0.000 0.774 2709 A CB 0.524 19.558 19.000 0.057 0.000 1.144 2709 A HN 0.516 nan 8.150 nan 0.000 0.472 2710 L N 2.811 124.090 121.223 0.094 0.000 2.433 2710 L HA 0.116 4.355 4.340 -0.169 0.000 0.284 2710 L C -0.113 176.835 176.870 0.130 0.000 1.120 2710 L CA 0.079 54.971 54.840 0.087 0.000 0.879 2710 L CB -0.815 41.274 42.059 0.050 0.000 1.232 2710 L HN 0.609 nan 8.230 nan 0.000 0.454 2711 N N 4.402 123.207 118.700 0.175 0.000 2.950 2711 N HA 0.083 4.722 4.740 -0.169 0.000 0.313 2711 N C 0.324 175.880 175.510 0.077 0.000 1.213 2711 N CA 0.087 53.292 53.050 0.258 0.000 1.184 2711 N CB -0.413 38.229 38.487 0.258 0.000 1.454 2711 N HN 0.618 nan 8.380 nan 0.000 0.532 2712 I N -1.624 118.939 120.570 -0.012 0.000 2.499 2712 I HA 0.377 4.446 4.170 -0.169 0.000 0.296 2712 I C -0.453 175.602 176.117 -0.103 0.000 0.992 2712 I CA -0.801 60.473 61.300 -0.043 0.000 1.297 2712 I CB 1.336 39.314 38.000 -0.037 0.000 1.410 2712 I HN 0.115 nan 8.210 nan 0.000 0.507 2713 Q N 6.487 126.247 119.800 -0.067 0.000 2.589 2713 Q HA 0.266 4.505 4.340 -0.169 0.000 0.245 2713 Q C -1.066 174.906 176.000 -0.047 0.000 0.931 2713 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 2713 Q CB 0.900 29.603 28.738 -0.058 0.000 1.315 2713 Q HN 0.980 nan 8.270 nan 0.000 0.469 2714 R N 0.904 121.374 120.500 -0.049 0.000 4.902 2714 R HA 0.431 4.669 4.340 -0.169 0.000 0.201 2714 R C 0.626 176.908 176.300 -0.030 0.000 2.020 2714 R CA 0.564 56.643 56.100 -0.035 0.000 1.674 2714 R CB -0.636 29.644 30.300 -0.034 0.000 1.349 2714 R HN 0.881 nan 8.270 nan 0.000 0.813 2715 G N 0.783 109.567 108.800 -0.027 0.000 3.922 2715 G HA2 -0.301 3.558 3.960 -0.169 0.000 0.208 2715 G HA3 -0.301 3.558 3.960 -0.169 0.000 0.208 2715 G C 0.343 175.229 174.900 -0.023 0.000 1.491 2715 G CA 0.321 45.408 45.100 -0.022 0.000 1.017 2715 G HN 0.474 nan 8.290 nan 0.000 0.603 2716 D N 0.696 121.079 120.400 -0.029 0.000 3.161 2716 D HA 0.193 4.731 4.640 -0.169 0.000 0.287 2716 D C 1.685 177.959 176.300 -0.043 0.000 1.343 2716 D CA 1.006 54.989 54.000 -0.029 0.000 1.070 2716 D CB -0.548 40.238 40.800 -0.023 0.000 1.188 2716 D HN 0.797 nan 8.370 nan 0.000 0.409 2717 S N 1.072 116.742 115.700 -0.051 0.000 2.673 2717 S HA 0.071 4.439 4.470 -0.169 0.000 0.308 2717 S C 0.092 174.623 174.600 -0.115 0.000 1.246 2717 S CA 0.066 58.222 58.200 -0.075 0.000 1.077 2717 S CB 0.177 63.335 63.200 -0.069 0.000 0.814 2717 S HN 0.051 nan 8.310 nan 0.000 0.503 2718 T N 5.462 119.918 114.554 -0.163 0.000 3.331 2718 T HA 0.403 4.651 4.350 -0.169 0.000 0.381 2718 T C 0.465 174.828 174.700 -0.561 0.000 1.656 2718 T CA -0.634 61.301 62.100 -0.275 0.000 1.453 2718 T CB -0.690 68.075 68.868 -0.172 0.000 1.066 2718 T HN 0.734 nan 8.240 nan 0.000 0.655 2719 I N -1.271 118.994 120.570 -0.508 0.000 3.078 2719 I HA 0.670 4.739 4.170 -0.169 0.000 0.318 2719 I C -1.041 174.608 176.117 -0.779 0.000 1.016 2719 I CA -1.379 59.590 61.300 -0.552 0.000 1.130 2719 I CB 1.008 38.878 38.000 -0.217 0.000 1.397 2719 I HN 0.219 nan 8.210 nan 0.000 0.570 2720 Y N 2.938 123.240 120.300 0.005 0.000 2.609 2720 Y HA 0.474 4.922 4.550 -0.169 0.000 0.350 2720 Y C -0.518 175.386 175.900 0.006 0.000 1.050 2720 Y CA -0.831 57.272 58.100 0.005 0.000 1.290 2720 Y CB 0.647 39.110 38.460 0.005 0.000 1.094 2720 Y HN 0.252 nan 8.280 nan 0.000 0.583 2721 L N 2.782 124.060 121.223 0.092 0.000 2.454 2721 L HA 0.472 4.711 4.340 -0.169 0.000 0.256 2721 L C 0.484 177.396 176.870 0.070 0.000 1.136 2721 L CA -0.722 54.157 54.840 0.064 0.000 0.804 2721 L CB 0.795 42.871 42.059 0.029 0.000 1.181 2721 L HN 0.517 nan 8.230 nan 0.000 0.469 2722 L N 0.000 121.254 121.223 0.052 0.000 2.949 2722 L HA 0.000 4.238 4.340 -0.169 0.000 0.249 2722 L CA 0.000 54.867 54.840 0.045 0.000 0.813 2722 L CB 0.000 42.082 42.059 0.038 0.000 0.961 2722 L HN 0.000 nan 8.230 nan 0.000 0.502