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 2h1l_1_I DATA FIRST_RESID 265 DATA SEQUENCE TKQVSWKLVT EYAMETKCDD VLLLLGMYLE FQYSFEMCLK CIKKEQPSHY DATA SEQUENCE KYHEKHYANA AIFADSKNQK TICQQAVDTV LAKKRVDSLQ LTREQMLTNR DATA SEQUENCE FNDLLDRMDI MFGSTGSADI EEWMAGVAWL HCLLPKMDSV VYDFLKCMVY DATA SEQUENCE NIPKKRYWLF KGPIDSGKTT LAAALLELCG GKALNVNLPL DRLNFELGVA DATA SEQUENCE IDQFLVVFED VKGTGGESRD LPSGQGINNL DNLRDYLDGS VKVNLEKKHL DATA SEQUENCE NKRTQIFPPG IVTMNEYSVP KTLQARFVKQ IDFRPKDYLK HCLERSEFLL DATA SEQUENCE EKRIIQSGIA LLLMLIWYRP VAEFAQSIQS RIVEWKERLD KEFSLSVYQK DATA SEQUENCE MKFNVAMGIG VLD 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 265 T HA 0.000 nan 4.350 nan 0.000 0.228 265 T C 0.000 174.715 174.700 0.025 0.000 1.109 265 T CA 0.000 62.111 62.100 0.019 0.000 1.349 265 T CB 0.000 68.879 68.868 0.019 0.000 0.612 266 K N 2.748 123.165 120.400 0.028 0.000 5.420 266 K HA -0.160 4.160 4.320 -0.000 0.000 0.407 266 K C -0.442 176.187 176.600 0.049 0.000 1.074 266 K CA 0.376 56.684 56.287 0.035 0.000 1.247 266 K CB -0.816 31.702 32.500 0.029 0.000 1.725 266 K HN 0.753 nan 8.250 nan 0.000 0.408 267 Q N 0.162 119.999 119.800 0.062 0.000 2.322 267 Q HA 0.529 4.869 4.340 -0.000 0.000 0.265 267 Q C 0.102 176.182 176.000 0.132 0.000 0.985 267 Q CA -1.080 54.778 55.803 0.090 0.000 0.849 267 Q CB 2.199 30.985 28.738 0.080 0.000 1.274 267 Q HN 0.192 nan 8.270 nan 0.000 0.449 268 V N 2.772 122.787 119.914 0.169 0.000 2.814 268 V HA -0.015 4.105 4.120 -0.000 0.000 0.307 268 V C 0.016 176.287 176.094 0.294 0.000 1.089 268 V CA 0.617 63.050 62.300 0.222 0.000 1.212 268 V CB 1.362 33.331 31.823 0.242 0.000 0.912 268 V HN 0.956 nan 8.190 nan 0.000 0.497 269 S N 7.005 122.859 115.700 0.255 0.000 2.400 269 S HA 0.174 4.644 4.470 -0.000 0.000 0.295 269 S C 0.401 175.197 174.600 0.326 0.000 1.113 269 S CA -0.453 57.904 58.200 0.262 0.000 1.064 269 S CB 0.023 63.332 63.200 0.182 0.000 0.990 269 S HN 0.800 nan 8.310 nan 0.000 0.502 270 W N 4.391 125.716 121.300 0.041 0.000 2.342 270 W HA -0.018 4.642 4.660 -0.000 0.000 0.297 270 W C 2.342 178.863 176.519 0.003 0.000 1.213 270 W CA 0.824 58.177 57.345 0.014 0.000 1.251 270 W CB -0.417 29.052 29.460 0.015 0.000 1.136 270 W HN 0.665 nan 8.180 nan 0.000 0.526 271 K N 0.363 120.923 120.400 0.267 0.000 2.063 271 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 271 K C 2.039 178.735 176.600 0.160 0.000 1.048 271 K CA 1.527 57.916 56.287 0.171 0.000 0.928 271 K CB -0.621 31.954 32.500 0.124 0.000 0.713 271 K HN 0.136 nan 8.250 nan 0.000 0.442 272 L N 0.540 121.874 121.223 0.184 0.000 1.990 272 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 272 L C 2.348 179.374 176.870 0.260 0.000 1.072 272 L CA 1.391 56.390 54.840 0.265 0.000 0.755 272 L CB -0.350 41.900 42.059 0.319 0.000 0.889 272 L HN 0.101 nan 8.230 nan 0.000 0.432 273 V N -0.738 119.181 119.914 0.008 0.000 2.332 273 V HA -0.317 3.802 4.120 -0.000 0.000 0.248 273 V C 2.481 178.533 176.094 -0.069 0.000 1.055 273 V CA 2.365 64.488 62.300 -0.294 0.000 1.038 273 V CB -1.014 30.415 31.823 -0.657 0.000 0.651 273 V HN 0.537 nan 8.190 nan 0.000 0.450 274 T N -0.370 114.187 114.554 0.005 0.000 2.737 274 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 274 T C 1.734 176.466 174.700 0.052 0.000 1.040 274 T CA 1.774 63.893 62.100 0.031 0.000 1.142 274 T CB -0.259 68.653 68.868 0.073 0.000 0.861 274 T HN 0.632 nan 8.240 nan 0.000 0.456 275 E N 0.021 120.294 120.200 0.122 0.000 2.015 275 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 275 E C 1.997 178.676 176.600 0.132 0.000 0.991 275 E CA 1.058 57.551 56.400 0.155 0.000 0.802 275 E CB -0.333 29.516 29.700 0.250 0.000 0.759 275 E HN 0.523 nan 8.360 nan 0.000 0.447 276 Y N 1.626 121.945 120.300 0.033 0.000 2.139 276 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 276 Y C 2.204 177.993 175.900 -0.186 0.000 1.179 276 Y CA 1.634 59.646 58.100 -0.146 0.000 1.161 276 Y CB -0.518 37.772 38.460 -0.283 0.000 0.970 276 Y HN 0.015 nan 8.280 nan 0.000 0.511 277 A N -0.021 122.690 122.820 -0.182 0.000 1.902 277 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 277 A C 2.287 179.740 177.584 -0.219 0.000 1.181 277 A CA 1.901 53.794 52.037 -0.240 0.000 0.623 277 A CB -0.652 18.279 19.000 -0.115 0.000 0.818 277 A HN 0.505 nan 8.150 nan 0.000 0.443 278 M N -0.666 118.860 119.600 -0.124 0.000 2.099 278 M HA -0.115 4.364 4.480 -0.000 0.000 0.262 278 M C 2.003 178.247 176.300 -0.095 0.000 1.067 278 M CA 1.512 56.766 55.300 -0.077 0.000 1.124 278 M CB -1.272 31.319 32.600 -0.015 0.000 1.353 278 M HN 0.530 nan 8.290 nan 0.000 0.410 279 E N -0.312 119.827 120.200 -0.101 0.000 2.160 279 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 279 E C 1.541 178.049 176.600 -0.155 0.000 0.991 279 E CA 1.798 58.165 56.400 -0.055 0.000 0.810 279 E CB 0.012 29.761 29.700 0.082 0.000 0.742 279 E HN 0.587 nan 8.360 nan 0.000 0.466 280 T N -2.277 112.059 114.554 -0.363 0.000 3.086 280 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 280 T C 0.454 175.023 174.700 -0.218 0.000 1.074 280 T CA -0.204 61.686 62.100 -0.351 0.000 0.988 280 T CB 0.022 68.520 68.868 -0.616 0.000 0.988 280 T HN -0.049 nan 8.240 nan 0.000 0.530 281 K N -0.134 120.166 120.400 -0.167 0.000 3.012 281 K HA -0.163 4.157 4.320 -0.000 0.000 0.259 281 K C 0.047 176.579 176.600 -0.114 0.000 0.989 281 K CA 0.483 56.704 56.287 -0.110 0.000 0.728 281 K CB -2.719 29.737 32.500 -0.074 0.000 1.260 281 K HN 0.649 nan 8.250 nan 0.000 0.480 282 C N 2.533 121.740 119.300 -0.155 0.000 2.540 282 C HA 0.134 4.594 4.460 -0.000 0.000 0.377 282 C C 0.845 175.781 174.990 -0.090 0.000 1.274 282 C CA -0.088 58.849 59.018 -0.134 0.000 1.718 282 C CB -0.491 27.140 27.740 -0.183 0.000 2.391 282 C HN 0.544 nan 8.230 nan 0.000 0.565 283 D N 3.298 123.660 120.400 -0.064 0.000 2.670 283 D HA 0.124 4.764 4.640 -0.000 0.000 0.255 283 D C -0.306 175.973 176.300 -0.034 0.000 1.286 283 D CA 0.042 54.016 54.000 -0.044 0.000 0.830 283 D CB -0.073 40.707 40.800 -0.033 0.000 1.065 283 D HN 0.618 nan 8.370 nan 0.000 0.486 284 D N 0.851 121.227 120.400 -0.040 0.000 2.505 284 D HA 0.101 4.740 4.640 -0.000 0.000 0.250 284 D C 1.227 177.508 176.300 -0.032 0.000 1.164 284 D CA -0.616 53.367 54.000 -0.029 0.000 0.870 284 D CB 2.442 43.226 40.800 -0.027 0.000 1.160 284 D HN -0.219 nan 8.370 nan 0.000 0.549 285 V N 4.455 124.353 119.914 -0.027 0.000 2.261 285 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 285 V C 2.669 178.748 176.094 -0.025 0.000 1.047 285 V CA 1.239 63.520 62.300 -0.030 0.000 1.015 285 V CB -0.514 31.294 31.823 -0.025 0.000 0.642 285 V HN 0.630 nan 8.190 nan 0.000 0.446 286 L N -0.809 120.404 121.223 -0.017 0.000 2.012 286 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 286 L C 2.486 179.348 176.870 -0.013 0.000 1.073 286 L CA 1.727 56.560 54.840 -0.011 0.000 0.748 286 L CB -0.472 41.583 42.059 -0.007 0.000 0.891 286 L HN 0.395 nan 8.230 nan 0.000 0.431 287 L N -0.151 121.061 121.223 -0.018 0.000 1.955 287 L HA -0.248 4.091 4.340 -0.000 0.000 0.213 287 L C 2.390 179.246 176.870 -0.023 0.000 1.072 287 L CA 1.797 56.625 54.840 -0.020 0.000 0.755 287 L CB -0.887 41.157 42.059 -0.024 0.000 0.888 287 L HN 0.121 nan 8.230 nan 0.000 0.432 288 L N -0.597 120.608 121.223 -0.029 0.000 2.010 288 L HA -0.276 4.064 4.340 -0.000 0.000 0.219 288 L C 2.448 179.296 176.870 -0.036 0.000 1.077 288 L CA 2.444 57.271 54.840 -0.022 0.000 0.773 288 L CB -1.036 40.992 42.059 -0.052 0.000 0.892 288 L HN 0.529 nan 8.230 nan 0.000 0.436 289 L N -0.295 120.910 121.223 -0.031 0.000 1.990 289 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 289 L C 2.352 179.220 176.870 -0.005 0.000 1.072 289 L CA 2.358 57.202 54.840 0.005 0.000 0.755 289 L CB -1.474 40.605 42.059 0.035 0.000 0.889 289 L HN 0.334 nan 8.230 nan 0.000 0.432 290 G N -0.769 108.020 108.800 -0.018 0.000 2.418 290 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 290 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 290 G C 1.486 176.329 174.900 -0.095 0.000 1.158 290 G CA 1.127 46.208 45.100 -0.031 0.000 0.771 290 G HN 0.394 nan 8.290 nan 0.000 0.545 291 M N -0.835 118.696 119.600 -0.115 0.000 2.059 291 M HA -0.051 4.429 4.480 -0.000 0.000 0.259 291 M C 2.461 178.373 176.300 -0.647 0.000 1.072 291 M CA 1.312 56.481 55.300 -0.218 0.000 1.117 291 M CB -0.880 31.706 32.600 -0.022 0.000 1.320 291 M HN 0.265 nan 8.290 nan 0.000 0.408 292 Y N 1.315 121.154 120.300 -0.770 0.000 2.165 292 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 292 Y C 2.237 177.669 175.900 -0.780 0.000 1.155 292 Y CA 1.587 59.019 58.100 -1.114 0.000 1.164 292 Y CB -0.476 37.445 38.460 -0.900 0.000 0.978 292 Y HN 0.098 nan 8.280 nan 0.000 0.513 293 L N -0.056 120.998 121.223 -0.281 0.000 2.349 293 L HA -0.249 4.091 4.340 -0.000 0.000 0.220 293 L C 2.090 178.824 176.870 -0.227 0.000 1.130 293 L CA 1.392 56.157 54.840 -0.126 0.000 0.791 293 L CB -0.378 41.688 42.059 0.012 0.000 0.918 293 L HN 0.349 nan 8.230 nan 0.000 0.444 294 E N -0.590 119.427 120.200 -0.304 0.000 2.107 294 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 294 E C 1.854 178.448 176.600 -0.010 0.000 0.982 294 E CA 0.734 57.078 56.400 -0.094 0.000 0.809 294 E CB -0.040 29.656 29.700 -0.006 0.000 0.756 294 E HN 0.393 nan 8.360 nan 0.000 0.459 295 F N 1.875 121.627 119.950 -0.331 0.000 2.583 295 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 295 F C 2.310 178.083 175.800 -0.046 0.000 1.131 295 F CA 0.565 58.343 58.000 -0.371 0.000 1.467 295 F CB -1.026 37.739 39.000 -0.391 0.000 1.097 295 F HN 0.089 nan 8.300 nan 0.000 0.586 296 Q N -0.188 119.564 119.800 -0.080 0.000 2.152 296 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 296 Q C 0.083 176.036 176.000 -0.078 0.000 0.985 296 Q CA 1.384 57.054 55.803 -0.223 0.000 0.863 296 Q CB -0.083 28.314 28.738 -0.568 0.000 0.904 296 Q HN 0.327 nan 8.270 nan 0.000 0.422 297 Y N 0.096 120.617 120.300 0.368 0.000 2.334 297 Y HA 0.195 4.745 4.550 -0.000 0.000 0.325 297 Y C 0.693 176.934 175.900 0.568 0.000 1.308 297 Y CA -0.786 57.555 58.100 0.401 0.000 1.389 297 Y CB 0.372 38.980 38.460 0.247 0.000 1.328 297 Y HN -0.074 nan 8.280 nan 0.000 0.532 298 S N 0.474 116.482 115.700 0.513 0.000 2.553 298 S HA -0.152 4.317 4.470 -0.000 0.000 0.293 298 S C 0.607 175.234 174.600 0.045 0.000 1.296 298 S CA -0.125 58.137 58.200 0.103 0.000 1.046 298 S CB -0.049 63.202 63.200 0.085 0.000 0.810 298 S HN 0.616 nan 8.310 nan 0.000 0.505 299 F N 3.229 122.846 119.950 -0.554 0.000 2.383 299 F HA 0.304 4.831 4.527 -0.000 0.000 0.287 299 F C 1.859 177.509 175.800 -0.251 0.000 1.069 299 F CA 0.940 58.592 58.000 -0.579 0.000 1.402 299 F CB -0.642 37.809 39.000 -0.914 0.000 1.116 299 F HN 0.687 nan 8.300 nan 0.000 0.549 300 E N 0.383 120.297 120.200 -0.476 0.000 2.110 300 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 300 E C 1.851 178.266 176.600 -0.308 0.000 0.988 300 E CA 1.853 57.979 56.400 -0.457 0.000 0.804 300 E CB -0.322 29.239 29.700 -0.232 0.000 0.745 300 E HN 0.430 nan 8.360 nan 0.000 0.458 301 M N -0.116 119.381 119.600 -0.172 0.000 2.494 301 M HA 0.138 4.618 4.480 -0.000 0.000 0.232 301 M C 0.391 176.666 176.300 -0.043 0.000 1.137 301 M CA -0.337 54.908 55.300 -0.091 0.000 1.012 301 M CB 0.156 32.732 32.600 -0.040 0.000 1.567 301 M HN 0.044 nan 8.290 nan 0.000 0.486 302 C N 3.311 122.591 119.300 -0.033 0.000 2.590 302 C HA 0.078 4.538 4.460 -0.000 0.000 0.411 302 C C 1.920 176.947 174.990 0.061 0.000 1.420 302 C CA -0.457 58.626 59.018 0.109 0.000 1.643 302 C CB -0.557 27.368 27.740 0.308 0.000 2.528 302 C HN 0.714 nan 8.230 nan 0.000 0.606 303 L N 3.590 124.858 121.223 0.074 0.000 2.307 303 L HA 0.204 4.544 4.340 -0.000 0.000 0.211 303 L C 2.312 179.230 176.870 0.079 0.000 1.099 303 L CA 0.883 55.750 54.840 0.045 0.000 0.816 303 L CB -0.732 41.340 42.059 0.021 0.000 0.952 303 L HN 0.624 nan 8.230 nan 0.000 0.455 304 K N 0.112 120.585 120.400 0.122 0.000 2.362 304 K HA -0.014 4.306 4.320 -0.000 0.000 0.200 304 K C 1.836 178.610 176.600 0.290 0.000 1.046 304 K CA 1.180 57.546 56.287 0.133 0.000 0.952 304 K CB -0.262 32.201 32.500 -0.062 0.000 0.753 304 K HN 0.451 nan 8.250 nan 0.000 0.466 305 C N -0.145 119.330 119.300 0.292 0.000 2.611 305 C HA 0.093 4.553 4.460 -0.000 0.000 0.283 305 C C 2.338 177.359 174.990 0.051 0.000 1.340 305 C CA -0.448 58.729 59.018 0.266 0.000 1.716 305 C CB -0.483 27.398 27.740 0.236 0.000 2.134 305 C HN 0.413 nan 8.230 nan 0.000 0.526 306 I N 1.780 122.352 120.570 0.004 0.000 2.248 306 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 306 I C 2.212 178.312 176.117 -0.028 0.000 1.107 306 I CA 1.760 63.034 61.300 -0.043 0.000 1.373 306 I CB -0.366 37.608 38.000 -0.043 0.000 1.055 306 I HN 0.271 nan 8.210 nan 0.000 0.418 307 K N 0.231 120.642 120.400 0.017 0.000 2.426 307 K HA -0.024 4.296 4.320 -0.000 0.000 0.193 307 K C 0.413 177.040 176.600 0.044 0.000 1.028 307 K CA 0.049 56.351 56.287 0.026 0.000 1.047 307 K CB 0.226 32.751 32.500 0.042 0.000 0.821 307 K HN 0.029 nan 8.250 nan 0.000 0.513 308 K N 0.806 121.229 120.400 0.039 0.000 2.960 308 K HA -0.250 4.070 4.320 -0.000 0.000 0.259 308 K C 0.441 177.248 176.600 0.346 0.000 1.025 308 K CA 1.544 57.848 56.287 0.028 0.000 0.756 308 K CB -1.622 30.745 32.500 -0.221 0.000 1.221 308 K HN 0.675 nan 8.250 nan 0.000 0.483 309 E N -0.031 120.334 120.200 0.275 0.000 2.051 309 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 309 E C 0.310 177.044 176.600 0.224 0.000 0.991 309 E CA 0.821 57.344 56.400 0.205 0.000 0.799 309 E CB -0.024 29.749 29.700 0.123 0.000 0.748 309 E HN 0.228 nan 8.360 nan 0.000 0.449 310 Q N 0.703 120.651 119.800 0.248 0.000 2.394 310 Q HA 0.212 4.552 4.340 -0.000 0.000 0.259 310 Q C -2.071 173.832 176.000 -0.161 0.000 1.021 310 Q CA -2.158 53.709 55.803 0.106 0.000 0.805 310 Q CB 1.820 30.614 28.738 0.092 0.000 1.226 310 Q HN 0.001 nan 8.270 nan 0.000 0.476 311 P HA -0.181 nan 4.420 nan 0.000 0.215 311 P C 1.140 178.247 177.300 -0.322 0.000 1.157 311 P CA 1.452 64.115 63.100 -0.728 0.000 0.868 311 P CB 0.228 31.818 31.700 -0.184 0.000 0.788 312 S N -2.709 112.989 115.700 -0.003 0.000 2.641 312 S HA -0.149 4.321 4.470 -0.000 0.000 0.239 312 S C 1.493 176.336 174.600 0.405 0.000 0.972 312 S CA 0.978 59.293 58.200 0.191 0.000 0.954 312 S CB -1.154 62.084 63.200 0.063 0.000 0.767 312 S HN 0.299 nan 8.310 nan 0.000 0.539 313 H N 0.651 119.829 119.070 0.180 0.000 2.162 313 H HA 0.153 4.708 4.556 -0.000 0.000 0.228 313 H C 1.685 177.218 175.328 0.341 0.000 0.941 313 H CA 0.547 56.818 56.048 0.370 0.000 1.213 313 H CB -0.692 29.236 29.762 0.276 0.000 1.318 313 H HN 0.318 nan 8.280 nan 0.000 0.496 314 Y N 1.007 121.504 120.300 0.330 0.000 2.384 314 Y HA 0.040 4.590 4.550 -0.000 0.000 0.289 314 Y C 1.605 177.543 175.900 0.064 0.000 1.152 314 Y CA 0.928 59.142 58.100 0.190 0.000 1.258 314 Y CB -0.628 37.984 38.460 0.252 0.000 0.979 314 Y HN 0.092 nan 8.280 nan 0.000 0.549 315 K N -0.761 119.714 120.400 0.124 0.000 2.432 315 K HA -0.020 4.299 4.320 -0.000 0.000 0.196 315 K C 0.140 176.467 176.600 -0.456 0.000 1.038 315 K CA 1.030 57.227 56.287 -0.151 0.000 0.986 315 K CB -0.094 32.124 32.500 -0.471 0.000 0.782 315 K HN 0.503 nan 8.250 nan 0.000 0.485 316 Y N -2.368 117.909 120.300 -0.038 0.000 2.499 316 Y HA 0.106 4.656 4.550 -0.000 0.000 0.253 316 Y C 1.757 177.307 175.900 -0.584 0.000 1.105 316 Y CA -0.595 57.455 58.100 -0.085 0.000 1.240 316 Y CB -0.378 38.268 38.460 0.310 0.000 1.289 316 Y HN 0.137 nan 8.280 nan 0.000 0.534 317 H N 1.492 120.014 119.070 -0.914 0.000 2.254 317 H HA -0.246 4.310 4.556 -0.000 0.000 0.294 317 H C 2.200 177.035 175.328 -0.821 0.000 1.071 317 H CA 2.079 57.346 56.048 -1.302 0.000 1.228 317 H CB 0.137 29.485 29.762 -0.690 0.000 1.358 317 H HN 0.455 nan 8.280 nan 0.000 0.495 318 E N 0.604 120.160 120.200 -1.073 0.000 2.086 318 E HA -0.283 4.067 4.350 -0.000 0.000 0.200 318 E C 2.415 178.626 176.600 -0.648 0.000 1.012 318 E CA 1.777 57.329 56.400 -1.414 0.000 0.812 318 E CB -0.139 28.302 29.700 -2.098 0.000 0.743 318 E HN 0.424 nan 8.360 nan 0.000 0.453 319 K N -0.547 119.547 120.400 -0.511 0.000 2.057 319 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 319 K C 1.811 178.166 176.600 -0.408 0.000 1.049 319 K CA 1.662 57.704 56.287 -0.408 0.000 0.931 319 K CB -0.096 32.157 32.500 -0.412 0.000 0.714 319 K HN 0.367 nan 8.250 nan 0.000 0.440 320 H N -1.439 117.494 119.070 -0.229 0.000 2.539 320 H HA -0.049 4.507 4.556 -0.000 0.000 0.269 320 H C 1.384 176.642 175.328 -0.118 0.000 0.980 320 H CA 0.337 56.293 56.048 -0.153 0.000 1.152 320 H CB 0.115 29.738 29.762 -0.232 0.000 1.407 320 H HN 0.292 nan 8.280 nan 0.000 0.564 321 Y N 2.639 122.857 120.300 -0.136 0.000 2.040 321 Y HA -0.346 4.203 4.550 -0.000 0.000 0.275 321 Y C 2.611 178.519 175.900 0.013 0.000 1.171 321 Y CA 1.872 59.955 58.100 -0.028 0.000 1.123 321 Y CB -0.599 37.760 38.460 -0.169 0.000 0.963 321 Y HN 0.137 nan 8.280 nan 0.000 0.493 322 A N 0.269 122.972 122.820 -0.195 0.000 1.903 322 A HA -0.340 3.980 4.320 -0.000 0.000 0.219 322 A C 2.205 179.698 177.584 -0.151 0.000 1.191 322 A CA 2.405 54.291 52.037 -0.251 0.000 0.638 322 A CB -1.238 17.726 19.000 -0.061 0.000 0.823 322 A HN 0.655 nan 8.150 nan 0.000 0.451 323 N N -0.279 118.417 118.700 -0.007 0.000 2.216 323 N HA 0.019 4.759 4.740 -0.000 0.000 0.183 323 N C 1.675 177.297 175.510 0.186 0.000 1.017 323 N CA 1.541 54.666 53.050 0.125 0.000 0.861 323 N CB -0.395 38.241 38.487 0.248 0.000 0.986 323 N HN 0.360 nan 8.380 nan 0.000 0.428 324 A N -0.044 122.831 122.820 0.091 0.000 2.076 324 A HA 0.050 4.370 4.320 -0.000 0.000 0.220 324 A C 2.156 179.789 177.584 0.080 0.000 1.160 324 A CA 1.725 53.802 52.037 0.067 0.000 0.653 324 A CB -0.804 18.089 19.000 -0.177 0.000 0.801 324 A HN 0.400 nan 8.150 nan 0.000 0.455 325 A N -0.539 122.242 122.820 -0.066 0.000 2.021 325 A HA 0.170 4.489 4.320 -0.000 0.000 0.216 325 A C 1.621 179.208 177.584 0.004 0.000 1.163 325 A CA 1.021 53.002 52.037 -0.093 0.000 0.676 325 A CB -0.167 18.673 19.000 -0.266 0.000 0.818 325 A HN 0.388 nan 8.150 nan 0.000 0.453 326 I N -1.400 119.201 120.570 0.052 0.000 3.684 326 I HA 0.063 4.233 4.170 -0.000 0.000 0.304 326 I C 1.667 177.874 176.117 0.151 0.000 1.278 326 I CA 0.607 61.954 61.300 0.079 0.000 1.272 326 I CB -1.244 36.805 38.000 0.081 0.000 1.029 326 I HN 0.451 nan 8.210 nan 0.000 0.458 327 F N 2.160 122.126 119.950 0.027 0.000 2.437 327 F HA 0.323 4.850 4.527 -0.000 0.000 0.288 327 F C 2.279 178.073 175.800 -0.010 0.000 1.085 327 F CA 0.585 58.601 58.000 0.026 0.000 1.430 327 F CB 0.131 39.203 39.000 0.119 0.000 1.120 327 F HN -0.048 nan 8.300 nan 0.000 0.556 328 A N -0.615 122.293 122.820 0.146 0.000 2.263 328 A HA -0.051 4.269 4.320 -0.000 0.000 0.205 328 A C 1.403 178.944 177.584 -0.073 0.000 1.226 328 A CA 1.439 53.480 52.037 0.006 0.000 0.810 328 A CB -0.786 18.227 19.000 0.022 0.000 0.784 328 A HN 0.484 nan 8.150 nan 0.000 0.486 329 D N -1.621 118.725 120.400 -0.091 0.000 2.500 329 D HA 0.108 4.747 4.640 -0.000 0.000 0.218 329 D C 0.618 176.851 176.300 -0.111 0.000 1.140 329 D CA 0.219 54.176 54.000 -0.072 0.000 0.830 329 D CB 0.452 41.237 40.800 -0.025 0.000 1.055 329 D HN 0.316 nan 8.370 nan 0.000 0.512 330 S N 0.074 115.653 115.700 -0.202 0.000 2.600 330 S HA 0.151 4.620 4.470 -0.000 0.000 0.265 330 S C 0.924 175.390 174.600 -0.224 0.000 1.325 330 S CA 0.055 58.126 58.200 -0.214 0.000 1.002 330 S CB 0.949 63.958 63.200 -0.319 0.000 0.921 330 S HN -0.007 nan 8.310 nan 0.000 0.554 331 K N 1.360 121.669 120.400 -0.152 0.000 2.387 331 K HA 0.284 4.604 4.320 -0.000 0.000 0.203 331 K C -0.001 176.523 176.600 -0.126 0.000 1.030 331 K CA -0.155 56.058 56.287 -0.123 0.000 1.099 331 K CB 0.255 32.718 32.500 -0.062 0.000 0.863 331 K HN 0.412 nan 8.250 nan 0.000 0.529 332 N N 1.234 119.830 118.700 -0.174 0.000 2.291 332 N HA 0.059 4.799 4.740 -0.000 0.000 0.244 332 N C 0.517 175.852 175.510 -0.291 0.000 1.216 332 N CA 0.069 53.022 53.050 -0.161 0.000 0.879 332 N CB 0.872 39.328 38.487 -0.052 0.000 1.167 332 N HN 0.206 nan 8.380 nan 0.000 0.515 333 Q N 1.076 120.644 119.800 -0.386 0.000 2.118 333 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 333 Q C 1.858 177.756 176.000 -0.170 0.000 0.998 333 Q CA 1.789 57.327 55.803 -0.441 0.000 0.872 333 Q CB -0.014 28.435 28.738 -0.482 0.000 0.925 333 Q HN 0.281 nan 8.270 nan 0.000 0.414 334 K N -0.139 120.178 120.400 -0.139 0.000 2.097 334 K HA -0.107 4.212 4.320 -0.000 0.000 0.205 334 K C 2.072 178.601 176.600 -0.118 0.000 1.050 334 K CA 1.553 57.786 56.287 -0.089 0.000 0.938 334 K CB 0.091 32.555 32.500 -0.059 0.000 0.718 334 K HN 0.153 nan 8.250 nan 0.000 0.442 335 T N 1.764 116.232 114.554 -0.144 0.000 2.708 335 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 335 T C 1.842 176.348 174.700 -0.323 0.000 1.037 335 T CA 1.610 63.630 62.100 -0.133 0.000 1.146 335 T CB -0.215 68.627 68.868 -0.044 0.000 0.865 335 T HN 0.178 nan 8.240 nan 0.000 0.435 336 I N 1.070 121.230 120.570 -0.683 0.000 2.099 336 I HA -0.225 3.945 4.170 -0.000 0.000 0.239 336 I C 2.757 178.600 176.117 -0.456 0.000 1.066 336 I CA 1.085 61.728 61.300 -1.096 0.000 1.324 336 I CB -0.804 36.556 38.000 -1.065 0.000 1.037 336 I HN 0.318 nan 8.210 nan 0.000 0.401 337 C N 0.274 119.410 119.300 -0.274 0.000 2.403 337 C HA -0.178 4.281 4.460 -0.000 0.000 0.277 337 C C 2.872 177.794 174.990 -0.114 0.000 1.248 337 C CA 0.635 59.550 59.018 -0.173 0.000 1.762 337 C CB -1.149 26.530 27.740 -0.102 0.000 2.014 337 C HN 0.542 nan 8.230 nan 0.000 0.486 338 Q N 0.469 120.211 119.800 -0.096 0.000 2.030 338 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 338 Q C 2.243 178.241 176.000 -0.002 0.000 0.986 338 Q CA 1.872 57.653 55.803 -0.037 0.000 0.843 338 Q CB -0.660 28.069 28.738 -0.015 0.000 0.904 338 Q HN 0.807 nan 8.270 nan 0.000 0.420 339 Q N -0.410 119.408 119.800 0.029 0.000 2.124 339 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 339 Q C 1.878 177.917 176.000 0.065 0.000 0.977 339 Q CA 1.519 57.387 55.803 0.108 0.000 0.850 339 Q CB -0.085 28.831 28.738 0.296 0.000 0.901 339 Q HN 0.354 nan 8.270 nan 0.000 0.429 340 A N -0.160 122.667 122.820 0.012 0.000 1.933 340 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 340 A C 2.149 179.719 177.584 -0.023 0.000 1.175 340 A CA 1.547 53.575 52.037 -0.014 0.000 0.628 340 A CB -0.551 18.398 19.000 -0.085 0.000 0.814 340 A HN 0.313 nan 8.150 nan 0.000 0.444 341 V N 0.333 120.228 119.914 -0.031 0.000 2.453 341 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 341 V C 2.039 178.126 176.094 -0.011 0.000 1.048 341 V CA 1.927 64.210 62.300 -0.030 0.000 1.049 341 V CB -0.726 31.078 31.823 -0.032 0.000 0.672 341 V HN 0.466 nan 8.190 nan 0.000 0.457 342 D N 0.329 120.732 120.400 0.006 0.000 2.149 342 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 342 D C 2.248 178.556 176.300 0.013 0.000 0.990 342 D CA 1.882 55.891 54.000 0.015 0.000 0.839 342 D CB -0.225 40.594 40.800 0.032 0.000 0.948 342 D HN 0.425 nan 8.370 nan 0.000 0.460 343 T N 0.900 115.464 114.554 0.017 0.000 2.595 343 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 343 T C 2.327 177.028 174.700 0.001 0.000 1.058 343 T CA 1.414 63.523 62.100 0.015 0.000 1.166 343 T CB -0.631 68.249 68.868 0.020 0.000 0.863 343 T HN -0.025 nan 8.240 nan 0.000 0.415 344 V N 1.868 121.775 119.914 -0.011 0.000 2.317 344 V HA -0.207 3.912 4.120 -0.000 0.000 0.251 344 V C 2.548 178.633 176.094 -0.016 0.000 1.065 344 V CA 1.681 63.968 62.300 -0.021 0.000 1.049 344 V CB -0.947 30.853 31.823 -0.038 0.000 0.651 344 V HN 0.427 nan 8.190 nan 0.000 0.450 345 L N -0.103 121.113 121.223 -0.012 0.000 2.046 345 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 345 L C 2.778 179.645 176.870 -0.006 0.000 1.077 345 L CA 1.594 56.429 54.840 -0.009 0.000 0.747 345 L CB -0.884 41.172 42.059 -0.004 0.000 0.896 345 L HN 0.370 nan 8.230 nan 0.000 0.432 346 A N 0.383 123.202 122.820 -0.001 0.000 1.858 346 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 346 A C 2.308 179.891 177.584 -0.002 0.000 1.190 346 A CA 2.163 54.200 52.037 0.001 0.000 0.617 346 A CB -0.484 18.520 19.000 0.007 0.000 0.827 346 A HN 0.253 nan 8.150 nan 0.000 0.443 347 K N 0.371 120.769 120.400 -0.003 0.000 2.009 347 K HA -0.157 4.162 4.320 -0.000 0.000 0.210 347 K C 1.908 178.502 176.600 -0.010 0.000 1.049 347 K CA 2.209 58.493 56.287 -0.006 0.000 0.929 347 K CB -0.355 32.141 32.500 -0.007 0.000 0.714 347 K HN 0.475 nan 8.250 nan 0.000 0.440 348 K N -0.140 120.252 120.400 -0.013 0.000 2.113 348 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 348 K C 2.321 178.913 176.600 -0.012 0.000 1.047 348 K CA 1.701 57.979 56.287 -0.015 0.000 0.928 348 K CB -0.211 32.279 32.500 -0.017 0.000 0.716 348 K HN 0.113 nan 8.250 nan 0.000 0.446 349 R N 1.327 121.821 120.500 -0.010 0.000 2.073 349 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 349 R C 2.024 178.318 176.300 -0.009 0.000 1.134 349 R CA 1.372 57.467 56.100 -0.010 0.000 0.952 349 R CB -0.591 29.705 30.300 -0.007 0.000 0.850 349 R HN -0.053 nan 8.270 nan 0.000 0.433 350 V N 1.607 121.516 119.914 -0.008 0.000 2.287 350 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 350 V C 1.809 177.897 176.094 -0.010 0.000 1.053 350 V CA 2.318 64.614 62.300 -0.008 0.000 1.027 350 V CB -0.617 31.202 31.823 -0.006 0.000 0.646 350 V HN 0.420 nan 8.190 nan 0.000 0.447 351 D N 0.752 121.146 120.400 -0.011 0.000 2.117 351 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 351 D C 2.261 178.555 176.300 -0.010 0.000 0.987 351 D CA 1.885 55.877 54.000 -0.013 0.000 0.829 351 D CB -0.335 40.454 40.800 -0.019 0.000 0.961 351 D HN 0.619 nan 8.370 nan 0.000 0.460 352 S N -0.529 115.166 115.700 -0.008 0.000 2.653 352 S HA 0.029 4.499 4.470 -0.000 0.000 0.233 352 S C 1.709 176.303 174.600 -0.010 0.000 0.970 352 S CA 0.312 58.510 58.200 -0.004 0.000 0.947 352 S CB -0.134 63.062 63.200 -0.007 0.000 0.771 352 S HN 0.239 nan 8.310 nan 0.000 0.538 353 L N -1.089 120.127 121.223 -0.011 0.000 2.746 353 L HA 0.217 4.557 4.340 -0.000 0.000 0.230 353 L C 2.504 179.365 176.870 -0.014 0.000 1.034 353 L CA 0.078 54.909 54.840 -0.014 0.000 0.922 353 L CB -0.106 41.945 42.059 -0.013 0.000 1.496 353 L HN 0.188 nan 8.230 nan 0.000 0.498 354 Q N 0.321 120.114 119.800 -0.012 0.000 2.226 354 Q HA 0.168 4.508 4.340 -0.000 0.000 0.199 354 Q C 0.753 176.745 176.000 -0.013 0.000 0.945 354 Q CA 0.424 56.219 55.803 -0.012 0.000 0.861 354 Q CB 0.484 29.216 28.738 -0.010 0.000 0.953 354 Q HN 0.316 nan 8.270 nan 0.000 0.490 355 L N 1.731 122.946 121.223 -0.013 0.000 2.468 355 L HA 0.085 4.425 4.340 -0.000 0.000 0.253 355 L C 0.653 177.515 176.870 -0.013 0.000 1.237 355 L CA -0.118 54.712 54.840 -0.016 0.000 0.823 355 L CB 0.132 42.178 42.059 -0.022 0.000 1.124 355 L HN 0.188 nan 8.230 nan 0.000 0.504 356 T N -2.670 111.875 114.554 -0.015 0.000 2.929 356 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 356 T C 0.970 175.672 174.700 0.003 0.000 1.014 356 T CA -0.907 61.186 62.100 -0.011 0.000 1.051 356 T CB 1.633 70.492 68.868 -0.015 0.000 1.028 356 T HN 0.446 nan 8.240 nan 0.000 0.485 357 R N 0.457 120.975 120.500 0.030 0.000 2.103 357 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 357 R C 2.294 178.627 176.300 0.054 0.000 1.142 357 R CA 1.706 57.874 56.100 0.113 0.000 0.960 357 R CB -0.243 30.127 30.300 0.116 0.000 0.858 357 R HN 0.786 nan 8.270 nan 0.000 0.439 358 E N 0.844 121.045 120.200 0.002 0.000 2.072 358 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 358 E C 2.039 178.571 176.600 -0.113 0.000 0.985 358 E CA 1.016 57.383 56.400 -0.055 0.000 0.801 358 E CB 0.119 29.811 29.700 -0.013 0.000 0.750 358 E HN 0.323 nan 8.360 nan 0.000 0.452 359 Q N -0.180 119.576 119.800 -0.073 0.000 2.135 359 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 359 Q C 2.205 178.125 176.000 -0.133 0.000 0.981 359 Q CA 1.651 57.406 55.803 -0.080 0.000 0.856 359 Q CB 0.059 28.769 28.738 -0.046 0.000 0.902 359 Q HN 0.321 nan 8.270 nan 0.000 0.425 360 M N -0.288 119.221 119.600 -0.151 0.000 2.077 360 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 360 M C 2.206 178.263 176.300 -0.404 0.000 1.070 360 M CA 1.203 56.371 55.300 -0.220 0.000 1.125 360 M CB -0.386 32.116 32.600 -0.163 0.000 1.339 360 M HN 0.314 nan 8.290 nan 0.000 0.409 361 L N 0.078 120.958 121.223 -0.573 0.000 1.971 361 L HA -0.277 4.063 4.340 -0.000 0.000 0.215 361 L C 2.478 178.915 176.870 -0.722 0.000 1.072 361 L CA 1.869 56.224 54.840 -0.809 0.000 0.758 361 L CB -0.660 40.937 42.059 -0.769 0.000 0.889 361 L HN 0.368 nan 8.230 nan 0.000 0.433 362 T N -0.222 114.035 114.554 -0.495 0.000 2.721 362 T HA -0.213 4.136 4.350 -0.000 0.000 0.268 362 T C 1.624 176.217 174.700 -0.179 0.000 1.038 362 T CA 1.635 63.551 62.100 -0.306 0.000 1.145 362 T CB -0.361 68.430 68.868 -0.130 0.000 0.858 362 T HN 0.377 nan 8.240 nan 0.000 0.459 363 N N 0.533 119.125 118.700 -0.180 0.000 2.223 363 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 363 N C 2.084 177.543 175.510 -0.084 0.000 1.016 363 N CA 0.866 53.852 53.050 -0.105 0.000 0.863 363 N CB -0.215 38.208 38.487 -0.106 0.000 0.983 363 N HN 0.223 nan 8.380 nan 0.000 0.429 364 R N 0.887 121.296 120.500 -0.151 0.000 2.061 364 R HA -0.003 4.336 4.340 -0.000 0.000 0.230 364 R C 1.902 178.278 176.300 0.127 0.000 1.140 364 R CA 1.187 57.249 56.100 -0.064 0.000 0.940 364 R CB -1.044 29.158 30.300 -0.164 0.000 0.839 364 R HN 0.029 nan 8.270 nan 0.000 0.429 365 F N 1.553 121.448 119.950 -0.091 0.000 2.147 365 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 365 F C 2.095 177.846 175.800 -0.082 0.000 1.084 365 F CA 1.181 59.137 58.000 -0.074 0.000 1.268 365 F CB -1.111 37.864 39.000 -0.042 0.000 1.009 365 F HN 0.197 nan 8.300 nan 0.000 0.486 366 N N 0.320 119.101 118.700 0.135 0.000 2.120 366 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 366 N C 1.513 177.044 175.510 0.033 0.000 1.024 366 N CA 1.471 54.558 53.050 0.062 0.000 0.852 366 N CB -0.371 38.139 38.487 0.038 0.000 1.003 366 N HN 0.303 nan 8.380 nan 0.000 0.424 367 D N 1.266 121.682 120.400 0.027 0.000 2.084 367 D HA -0.093 4.546 4.640 -0.000 0.000 0.194 367 D C 2.285 178.580 176.300 -0.009 0.000 0.990 367 D CA 0.568 54.573 54.000 0.008 0.000 0.826 367 D CB -0.298 40.501 40.800 -0.001 0.000 0.971 367 D HN 0.217 nan 8.370 nan 0.000 0.453 368 L N 0.625 121.842 121.223 -0.009 0.000 1.970 368 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 368 L C 2.764 179.553 176.870 -0.134 0.000 1.071 368 L CA 0.919 55.718 54.840 -0.068 0.000 0.751 368 L CB -0.611 41.403 42.059 -0.076 0.000 0.889 368 L HN 0.031 nan 8.230 nan 0.000 0.432 369 L N -0.376 120.755 121.223 -0.153 0.000 2.043 369 L HA -0.293 4.046 4.340 -0.000 0.000 0.212 369 L C 2.154 178.985 176.870 -0.066 0.000 1.075 369 L CA 1.537 56.240 54.840 -0.228 0.000 0.752 369 L CB -0.739 41.219 42.059 -0.169 0.000 0.891 369 L HN 0.292 nan 8.230 nan 0.000 0.432 370 D N -0.752 119.647 120.400 -0.002 0.000 2.182 370 D HA -0.189 4.450 4.640 -0.000 0.000 0.201 370 D C 2.333 178.652 176.300 0.032 0.000 0.986 370 D CA 0.937 54.965 54.000 0.046 0.000 0.847 370 D CB -0.026 40.798 40.800 0.040 0.000 0.942 370 D HN 0.131 nan 8.370 nan 0.000 0.467 371 R N -0.197 120.288 120.500 -0.025 0.000 2.062 371 R HA -0.006 4.334 4.340 -0.000 0.000 0.229 371 R C 2.178 178.429 176.300 -0.082 0.000 1.128 371 R CA 0.806 56.872 56.100 -0.056 0.000 0.960 371 R CB -0.127 30.116 30.300 -0.094 0.000 0.855 371 R HN 0.214 nan 8.270 nan 0.000 0.432 372 M N 0.647 120.177 119.600 -0.118 0.000 2.195 372 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 372 M C 1.419 177.901 176.300 0.303 0.000 1.066 372 M CA 1.551 56.824 55.300 -0.044 0.000 1.089 372 M CB -0.337 32.057 32.600 -0.344 0.000 1.377 372 M HN 0.047 nan 8.290 nan 0.000 0.411 373 D N 0.607 121.186 120.400 0.299 0.000 2.123 373 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 373 D C 1.715 178.161 176.300 0.244 0.000 0.992 373 D CA 1.401 55.630 54.000 0.381 0.000 0.833 373 D CB -0.068 40.891 40.800 0.265 0.000 0.954 373 D HN 0.290 nan 8.370 nan 0.000 0.455 374 I N 0.245 120.895 120.570 0.135 0.000 2.494 374 I HA -0.061 4.109 4.170 -0.000 0.000 0.250 374 I C 2.174 178.302 176.117 0.018 0.000 1.112 374 I CA 0.478 61.836 61.300 0.097 0.000 1.438 374 I CB -0.446 37.611 38.000 0.094 0.000 1.111 374 I HN 0.028 nan 8.210 nan 0.000 0.431 375 M N -1.610 117.906 119.600 -0.140 0.000 2.748 375 M HA 0.043 4.523 4.480 -0.000 0.000 0.241 375 M C 0.376 176.311 176.300 -0.609 0.000 1.080 375 M CA 1.758 56.816 55.300 -0.403 0.000 1.068 375 M CB -0.211 31.999 32.600 -0.651 0.000 1.536 375 M HN 0.054 nan 8.290 nan 0.000 0.540 376 F N -0.338 119.656 119.950 0.073 0.000 2.975 376 F HA 0.470 4.997 4.527 -0.000 0.000 0.366 376 F C 1.520 177.374 175.800 0.089 0.000 1.071 376 F CA -0.630 57.430 58.000 0.099 0.000 1.102 376 F CB -0.397 38.709 39.000 0.177 0.000 1.176 376 F HN 0.146 nan 8.300 nan 0.000 0.545 377 G N 0.374 109.308 108.800 0.223 0.000 2.583 377 G HA2 0.222 4.182 3.960 -0.000 0.000 0.275 377 G HA3 0.222 4.182 3.960 -0.000 0.000 0.275 377 G C 1.152 176.113 174.900 0.103 0.000 1.342 377 G CA 0.348 45.535 45.100 0.145 0.000 1.030 377 G HN 0.215 nan 8.290 nan 0.000 0.520 378 S N -1.814 113.924 115.700 0.065 0.000 2.469 378 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 378 S C 1.864 176.488 174.600 0.040 0.000 0.998 378 S CA 1.916 60.141 58.200 0.041 0.000 0.957 378 S CB -0.488 62.723 63.200 0.018 0.000 0.764 378 S HN 0.886 nan 8.310 nan 0.000 0.514 379 T N -2.197 112.389 114.554 0.054 0.000 3.001 379 T HA 0.415 4.765 4.350 -0.000 0.000 0.251 379 T C 1.163 175.906 174.700 0.072 0.000 1.040 379 T CA 0.136 62.269 62.100 0.055 0.000 0.985 379 T CB -0.377 68.527 68.868 0.060 0.000 1.011 379 T HN 0.434 nan 8.240 nan 0.000 0.509 380 G N 0.853 109.698 108.800 0.074 0.000 2.794 380 G HA2 0.347 4.307 3.960 -0.000 0.000 0.249 380 G HA3 0.347 4.307 3.960 -0.000 0.000 0.249 380 G C 0.355 175.287 174.900 0.054 0.000 1.236 380 G CA -0.029 45.100 45.100 0.048 0.000 0.880 380 G HN 0.348 nan 8.290 nan 0.000 0.586 381 S N -0.636 115.086 115.700 0.037 0.000 2.787 381 S HA 0.474 4.944 4.470 -0.000 0.000 0.255 381 S C 0.732 175.394 174.600 0.103 0.000 1.051 381 S CA 0.295 58.535 58.200 0.066 0.000 1.124 381 S CB 0.806 64.041 63.200 0.060 0.000 1.104 381 S HN 0.998 nan 8.310 nan 0.000 0.623 382 A N 1.739 124.613 122.820 0.090 0.000 2.303 382 A HA 0.627 4.946 4.320 -0.000 0.000 0.317 382 A C -0.765 177.055 177.584 0.394 0.000 1.149 382 A CA -0.356 51.827 52.037 0.244 0.000 0.822 382 A CB 0.486 19.565 19.000 0.132 0.000 1.131 382 A HN 0.114 nan 8.150 nan 0.000 0.493 383 D N 1.824 122.515 120.400 0.485 0.000 2.359 383 D HA 0.218 4.858 4.640 -0.000 0.000 0.230 383 D C 0.839 177.511 176.300 0.620 0.000 1.118 383 D CA -0.468 53.787 54.000 0.425 0.000 0.844 383 D CB 0.724 41.661 40.800 0.229 0.000 1.059 383 D HN 0.297 nan 8.370 nan 0.000 0.493 384 I N 3.808 124.686 120.570 0.513 0.000 2.399 384 I HA -0.199 3.970 4.170 -0.000 0.000 0.254 384 I C 1.803 178.221 176.117 0.503 0.000 1.146 384 I CA 1.578 63.061 61.300 0.305 0.000 1.412 384 I CB -0.038 37.972 38.000 0.017 0.000 1.076 384 I HN 0.612 nan 8.210 nan 0.000 0.432 385 E N 0.181 120.678 120.200 0.495 0.000 2.072 385 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 385 E C 2.022 178.829 176.600 0.345 0.000 0.985 385 E CA 1.313 58.040 56.400 0.545 0.000 0.801 385 E CB -0.084 29.815 29.700 0.332 0.000 0.750 385 E HN 0.637 nan 8.360 nan 0.000 0.452 386 E N -0.499 119.894 120.200 0.321 0.000 2.072 386 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 386 E C 1.783 178.599 176.600 0.361 0.000 0.985 386 E CA 1.078 57.686 56.400 0.347 0.000 0.801 386 E CB -0.164 29.665 29.700 0.214 0.000 0.750 386 E HN 0.409 nan 8.360 nan 0.000 0.452 387 W N 0.520 121.993 121.300 0.288 0.000 2.381 387 W HA -0.108 4.552 4.660 -0.000 0.000 0.301 387 W C 2.348 178.922 176.519 0.091 0.000 1.205 387 W CA 0.524 58.001 57.345 0.220 0.000 1.285 387 W CB -0.334 29.311 29.460 0.308 0.000 1.133 387 W HN 0.090 nan 8.180 nan 0.000 0.521 388 M N 0.671 120.389 119.600 0.196 0.000 2.279 388 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 388 M C 2.017 178.297 176.300 -0.034 0.000 1.062 388 M CA 1.861 57.088 55.300 -0.122 0.000 1.099 388 M CB -0.822 31.335 32.600 -0.739 0.000 1.394 388 M HN -0.011 nan 8.290 nan 0.000 0.426 389 A N -0.863 122.000 122.820 0.072 0.000 1.898 389 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 389 A C 2.335 179.979 177.584 0.099 0.000 1.181 389 A CA 1.617 53.718 52.037 0.107 0.000 0.620 389 A CB -1.619 17.543 19.000 0.270 0.000 0.819 389 A HN 0.548 nan 8.150 nan 0.000 0.442 390 G N -0.403 108.446 108.800 0.083 0.000 2.421 390 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 390 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 390 G C 1.481 176.505 174.900 0.206 0.000 1.171 390 G CA 1.240 46.386 45.100 0.077 0.000 0.775 390 G HN 0.320 nan 8.290 nan 0.000 0.543 391 V N 1.519 121.554 119.914 0.202 0.000 2.469 391 V HA -0.157 3.963 4.120 -0.000 0.000 0.251 391 V C 3.241 179.517 176.094 0.302 0.000 1.064 391 V CA 1.955 64.407 62.300 0.253 0.000 1.066 391 V CB -0.749 31.195 31.823 0.201 0.000 0.667 391 V HN 0.501 nan 8.190 nan 0.000 0.461 392 A N -1.076 121.859 122.820 0.191 0.000 1.872 392 A HA -0.231 4.088 4.320 -0.000 0.000 0.214 392 A C 1.936 179.615 177.584 0.158 0.000 1.187 392 A CA 1.649 53.713 52.037 0.046 0.000 0.614 392 A CB -0.817 18.103 19.000 -0.134 0.000 0.826 392 A HN 0.669 nan 8.150 nan 0.000 0.442 393 W N 0.672 121.984 121.300 0.020 0.000 2.354 393 W HA -0.139 4.521 4.660 -0.000 0.000 0.315 393 W C 1.786 178.337 176.519 0.054 0.000 1.206 393 W CA 1.909 59.264 57.345 0.017 0.000 1.290 393 W CB -0.377 29.057 29.460 -0.043 0.000 1.152 393 W HN 0.236 nan 8.180 nan 0.000 0.489 394 L N -0.332 121.091 121.223 0.335 0.000 2.261 394 L HA -0.259 4.080 4.340 -0.000 0.000 0.216 394 L C 2.148 179.045 176.870 0.045 0.000 1.114 394 L CA 1.614 56.568 54.840 0.189 0.000 0.777 394 L CB -0.855 41.372 42.059 0.280 0.000 0.910 394 L HN 0.114 nan 8.230 nan 0.000 0.440 395 H N -1.747 117.334 119.070 0.018 0.000 2.548 395 H HA -0.014 4.542 4.556 -0.000 0.000 0.268 395 H C 1.965 177.252 175.328 -0.068 0.000 0.975 395 H CA 0.706 56.759 56.048 0.008 0.000 1.195 395 H CB 0.190 30.044 29.762 0.153 0.000 1.397 395 H HN 0.313 nan 8.280 nan 0.000 0.572 396 C N -0.692 118.516 119.300 -0.153 0.000 2.735 396 C HA 0.118 4.577 4.460 -0.000 0.000 0.271 396 C C 2.494 177.289 174.990 -0.325 0.000 1.281 396 C CA -0.263 58.634 59.018 -0.201 0.000 1.719 396 C CB -0.756 26.884 27.740 -0.167 0.000 2.024 396 C HN 0.511 nan 8.230 nan 0.000 0.566 397 L N 0.184 121.126 121.223 -0.468 0.000 2.131 397 L HA 0.190 4.530 4.340 -0.000 0.000 0.210 397 L C 0.492 177.147 176.870 -0.357 0.000 1.092 397 L CA 1.992 56.551 54.840 -0.468 0.000 0.759 397 L CB -0.188 41.611 42.059 -0.434 0.000 0.903 397 L HN 0.288 nan 8.230 nan 0.000 0.435 398 L N -1.450 119.577 121.223 -0.327 0.000 2.465 398 L HA 0.398 4.738 4.340 -0.000 0.000 0.257 398 L C -2.408 174.288 176.870 -0.291 0.000 0.988 398 L CA -1.881 52.768 54.840 -0.319 0.000 0.827 398 L CB 2.067 43.927 42.059 -0.331 0.000 1.397 398 L HN -0.248 nan 8.230 nan 0.000 0.410 399 P HA 0.127 nan 4.420 nan 0.000 0.267 399 P C -0.847 176.341 177.300 -0.186 0.000 1.209 399 P CA 0.002 62.991 63.100 -0.186 0.000 0.763 399 P CB 0.324 31.946 31.700 -0.129 0.000 0.816 400 K N 1.391 121.664 120.400 -0.212 0.000 3.069 400 K HA -0.267 4.053 4.320 -0.000 0.000 0.267 400 K C 0.972 177.468 176.600 -0.173 0.000 1.082 400 K CA 0.393 56.594 56.287 -0.143 0.000 0.782 400 K CB -1.944 30.534 32.500 -0.037 0.000 1.230 400 K HN 0.330 nan 8.250 nan 0.000 0.488 401 M N 2.102 121.490 119.600 -0.354 0.000 2.153 401 M HA -0.277 4.202 4.480 -0.000 0.000 0.253 401 M C 1.796 178.075 176.300 -0.034 0.000 1.081 401 M CA 2.614 57.794 55.300 -0.201 0.000 1.076 401 M CB -0.250 32.187 32.600 -0.272 0.000 1.350 401 M HN 0.434 nan 8.290 nan 0.000 0.401 402 D N -1.781 118.594 120.400 -0.042 0.000 2.144 402 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 402 D C 1.664 178.013 176.300 0.082 0.000 0.984 402 D CA 1.869 55.857 54.000 -0.020 0.000 0.834 402 D CB -0.705 39.899 40.800 -0.326 0.000 0.955 402 D HN 0.445 nan 8.370 nan 0.000 0.465 403 S N 0.083 115.826 115.700 0.071 0.000 2.368 403 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 403 S C 2.360 177.104 174.600 0.240 0.000 1.029 403 S CA 0.749 59.036 58.200 0.146 0.000 0.988 403 S CB -0.234 63.025 63.200 0.098 0.000 0.838 403 S HN 0.180 nan 8.310 nan 0.000 0.462 404 V N 1.757 121.792 119.914 0.202 0.000 2.255 404 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 404 V C 2.316 178.634 176.094 0.372 0.000 1.051 404 V CA 1.590 64.083 62.300 0.321 0.000 1.018 404 V CB -0.825 31.140 31.823 0.236 0.000 0.641 404 V HN 0.343 nan 8.190 nan 0.000 0.445 405 V N -1.035 119.046 119.914 0.278 0.000 2.546 405 V HA -0.309 3.811 4.120 -0.000 0.000 0.254 405 V C 2.079 178.351 176.094 0.297 0.000 1.076 405 V CA 2.495 64.968 62.300 0.289 0.000 1.087 405 V CB -0.821 31.145 31.823 0.238 0.000 0.674 405 V HN 0.691 nan 8.190 nan 0.000 0.470 406 Y N 1.018 121.409 120.300 0.152 0.000 2.201 406 Y HA -0.092 4.457 4.550 -0.000 0.000 0.292 406 Y C 2.351 178.300 175.900 0.081 0.000 1.119 406 Y CA 1.671 59.824 58.100 0.087 0.000 1.127 406 Y CB -0.344 38.141 38.460 0.042 0.000 1.019 406 Y HN 0.248 nan 8.280 nan 0.000 0.514 407 D N 0.007 120.523 120.400 0.193 0.000 2.116 407 D HA -0.246 4.394 4.640 -0.000 0.000 0.193 407 D C 1.996 178.357 176.300 0.102 0.000 0.998 407 D CA 1.734 55.838 54.000 0.172 0.000 0.836 407 D CB -0.739 40.307 40.800 0.410 0.000 0.951 407 D HN 0.406 nan 8.370 nan 0.000 0.449 408 F N 1.090 120.962 119.950 -0.130 0.000 2.102 408 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 408 F C 2.110 177.641 175.800 -0.449 0.000 1.105 408 F CA 1.012 58.553 58.000 -0.766 0.000 1.239 408 F CB -0.531 37.828 39.000 -1.068 0.000 0.991 408 F HN -0.086 nan 8.300 nan 0.000 0.474 409 L N 0.014 120.956 121.223 -0.468 0.000 2.189 409 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 409 L C 2.176 178.772 176.870 -0.456 0.000 1.097 409 L CA 1.211 55.784 54.840 -0.444 0.000 0.764 409 L CB -0.521 41.447 42.059 -0.151 0.000 0.900 409 L HN 0.129 nan 8.230 nan 0.000 0.436 410 K N -1.285 118.813 120.400 -0.502 0.000 2.242 410 K HA -0.007 4.313 4.320 -0.000 0.000 0.200 410 K C 1.971 178.351 176.600 -0.366 0.000 1.050 410 K CA 0.734 56.743 56.287 -0.462 0.000 0.981 410 K CB -0.844 31.288 32.500 -0.614 0.000 0.795 410 K HN 0.280 nan 8.250 nan 0.000 0.477 411 C N 1.173 120.274 119.300 -0.331 0.000 2.432 411 C HA 0.045 4.505 4.460 -0.000 0.000 0.282 411 C C 2.085 176.908 174.990 -0.279 0.000 1.388 411 C CA 0.475 59.382 59.018 -0.185 0.000 1.777 411 C CB -0.589 27.160 27.740 0.016 0.000 1.882 411 C HN 0.282 nan 8.230 nan 0.000 0.520 412 M N -0.056 119.249 119.600 -0.491 0.000 2.541 412 M HA 0.104 4.584 4.480 -0.000 0.000 0.252 412 M C 1.819 177.916 176.300 -0.338 0.000 1.125 412 M CA 0.864 55.839 55.300 -0.542 0.000 1.091 412 M CB -0.426 31.720 32.600 -0.757 0.000 1.420 412 M HN 0.294 nan 8.290 nan 0.000 0.486 413 V N -1.819 118.008 119.914 -0.146 0.000 2.672 413 V HA -0.108 4.012 4.120 -0.000 0.000 0.242 413 V C 1.888 178.042 176.094 0.101 0.000 1.059 413 V CA 0.754 63.068 62.300 0.023 0.000 1.081 413 V CB -0.574 31.285 31.823 0.061 0.000 0.752 413 V HN 0.185 nan 8.190 nan 0.000 0.472 414 Y N 0.823 121.051 120.300 -0.119 0.000 2.403 414 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 414 Y C 1.573 177.423 175.900 -0.084 0.000 1.143 414 Y CA 0.464 58.516 58.100 -0.081 0.000 1.257 414 Y CB -1.108 37.317 38.460 -0.058 0.000 0.984 414 Y HN 0.422 nan 8.280 nan 0.000 0.550 415 N N 0.662 119.375 118.700 0.021 0.000 2.698 415 N HA -0.190 4.550 4.740 -0.000 0.000 0.258 415 N C -1.129 174.376 175.510 -0.007 0.000 0.978 415 N CA -0.411 52.606 53.050 -0.055 0.000 0.777 415 N CB -0.677 37.746 38.487 -0.106 0.000 0.907 415 N HN -0.030 nan 8.380 nan 0.000 0.543 416 I N 1.259 121.857 120.570 0.047 0.000 2.505 416 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 416 I C -1.782 174.363 176.117 0.048 0.000 1.104 416 I CA -1.877 59.455 61.300 0.053 0.000 1.387 416 I CB -0.079 37.981 38.000 0.100 0.000 1.404 416 I HN 0.054 nan 8.210 nan 0.000 0.528 417 P HA -0.009 nan 4.420 nan 0.000 0.262 417 P C 0.297 177.628 177.300 0.052 0.000 1.182 417 P CA 0.307 63.430 63.100 0.038 0.000 0.761 417 P CB 0.342 32.054 31.700 0.020 0.000 0.795 418 K N 1.004 121.443 120.400 0.065 0.000 3.467 418 K HA -0.194 4.126 4.320 -0.000 0.000 0.309 418 K C -0.362 176.290 176.600 0.085 0.000 1.350 418 K CA 1.223 57.547 56.287 0.061 0.000 0.934 418 K CB -1.404 31.120 32.500 0.039 0.000 1.312 418 K HN 0.483 nan 8.250 nan 0.000 0.461 419 K N -0.254 120.213 120.400 0.111 0.000 3.439 419 K HA 0.231 4.551 4.320 -0.000 0.000 0.170 419 K C -0.073 176.624 176.600 0.162 0.000 1.035 419 K CA -0.326 56.046 56.287 0.142 0.000 0.794 419 K CB 0.606 33.179 32.500 0.122 0.000 0.795 419 K HN 0.084 nan 8.250 nan 0.000 0.519 420 R N -0.323 120.286 120.500 0.182 0.000 2.509 420 R HA 0.202 4.542 4.340 -0.000 0.000 0.297 420 R C -0.355 175.947 176.300 0.004 0.000 0.951 420 R CA -0.125 56.012 56.100 0.061 0.000 1.103 420 R CB 0.590 30.866 30.300 -0.040 0.000 1.283 420 R HN 0.044 nan 8.270 nan 0.000 0.534 421 Y N -0.489 119.991 120.300 0.298 0.000 2.429 421 Y HA 0.343 4.893 4.550 -0.000 0.000 0.342 421 Y C -0.464 175.857 175.900 0.703 0.000 1.004 421 Y CA -1.072 57.298 58.100 0.450 0.000 1.075 421 Y CB 1.310 40.013 38.460 0.405 0.000 1.214 421 Y HN -0.114 nan 8.280 nan 0.000 0.455 422 W N 4.153 125.680 121.300 0.378 0.000 2.570 422 W HA 0.642 5.302 4.660 -0.000 0.000 0.337 422 W C -1.109 175.408 176.519 -0.003 0.000 1.067 422 W CA -1.298 56.154 57.345 0.178 0.000 1.229 422 W CB 1.335 30.799 29.460 0.008 0.000 1.355 422 W HN 0.248 nan 8.180 nan 0.000 0.555 423 L N 4.065 125.303 121.223 0.025 0.000 2.343 423 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 423 L C -1.428 175.503 176.870 0.102 0.000 0.996 423 L CA -0.762 53.933 54.840 -0.243 0.000 0.831 423 L CB 0.628 42.263 42.059 -0.706 0.000 1.232 423 L HN 0.103 nan 8.230 nan 0.000 0.413 424 F N 4.483 124.451 119.950 0.030 0.000 2.335 424 F HA 0.416 4.943 4.527 -0.000 0.000 0.365 424 F C 0.333 176.132 175.800 -0.001 0.000 1.122 424 F CA -0.827 57.229 58.000 0.093 0.000 1.151 424 F CB 0.793 39.748 39.000 -0.074 0.000 1.282 424 F HN 0.323 nan 8.300 nan 0.000 0.513 425 K N 1.827 122.381 120.400 0.257 0.000 2.244 425 K HA 0.788 5.108 4.320 -0.000 0.000 0.260 425 K C -0.197 176.486 176.600 0.139 0.000 0.951 425 K CA -0.517 55.844 56.287 0.124 0.000 0.826 425 K CB 1.719 34.256 32.500 0.061 0.000 1.108 425 K HN 0.827 nan 8.250 nan 0.000 0.433 426 G N 3.502 112.340 108.800 0.064 0.000 2.361 426 G HA2 0.180 4.140 3.960 -0.000 0.000 0.299 426 G HA3 0.180 4.140 3.960 -0.000 0.000 0.299 426 G C -3.239 171.659 174.900 -0.003 0.000 1.544 426 G CA -0.992 44.140 45.100 0.054 0.000 0.860 426 G HN 0.340 nan 8.290 nan 0.000 0.610 427 P HA 0.218 nan 4.420 nan 0.000 0.278 427 P C 0.445 177.723 177.300 -0.037 0.000 1.270 427 P CA -0.459 62.618 63.100 -0.038 0.000 0.800 427 P CB 0.443 32.122 31.700 -0.035 0.000 1.142 428 I N 1.088 121.635 120.570 -0.039 0.000 2.588 428 I HA -0.048 4.121 4.170 -0.000 0.000 0.283 428 I C 1.029 177.126 176.117 -0.034 0.000 1.119 428 I CA 0.871 62.150 61.300 -0.035 0.000 1.419 428 I CB -0.845 37.136 38.000 -0.032 0.000 1.394 428 I HN 0.587 nan 8.210 nan 0.000 0.562 429 D N 3.419 123.798 120.400 -0.035 0.000 3.012 429 D HA -0.163 4.477 4.640 -0.000 0.000 0.222 429 D C 1.346 177.638 176.300 -0.015 0.000 1.167 429 D CA 1.134 55.117 54.000 -0.028 0.000 0.854 429 D CB -0.513 40.268 40.800 -0.033 0.000 1.107 429 D HN 0.618 nan 8.370 nan 0.000 0.421 430 S N -1.111 114.578 115.700 -0.019 0.000 2.406 430 S HA 0.129 4.599 4.470 -0.000 0.000 0.228 430 S C 1.904 176.555 174.600 0.084 0.000 1.020 430 S CA 1.372 59.589 58.200 0.029 0.000 0.965 430 S CB 0.513 63.745 63.200 0.055 0.000 0.798 430 S HN 0.755 nan 8.310 nan 0.000 0.488 431 G N 0.818 109.609 108.800 -0.015 0.000 2.205 431 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.180 431 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.180 431 G C 0.755 175.470 174.900 -0.309 0.000 1.004 431 G CA 0.257 45.369 45.100 0.020 0.000 0.670 431 G HN 0.433 nan 8.290 nan 0.000 0.496 432 K N 0.184 120.097 120.400 -0.812 0.000 2.001 432 K HA -0.113 4.206 4.320 -0.000 0.000 0.214 432 K C 2.490 178.853 176.600 -0.394 0.000 1.050 432 K CA 2.045 57.601 56.287 -1.218 0.000 0.934 432 K CB -0.620 31.421 32.500 -0.764 0.000 0.718 432 K HN 0.289 nan 8.250 nan 0.000 0.443 433 T N 1.150 115.592 114.554 -0.187 0.000 2.635 433 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 433 T C 2.037 176.734 174.700 -0.004 0.000 1.040 433 T CA 2.171 64.245 62.100 -0.043 0.000 1.156 433 T CB -0.617 68.233 68.868 -0.030 0.000 0.863 433 T HN 0.350 nan 8.240 nan 0.000 0.430 434 T N 2.439 116.987 114.554 -0.010 0.000 2.635 434 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 434 T C 1.880 176.631 174.700 0.086 0.000 1.040 434 T CA 1.295 63.422 62.100 0.044 0.000 1.156 434 T CB -0.613 68.310 68.868 0.090 0.000 0.863 434 T HN 0.113 nan 8.240 nan 0.000 0.430 435 L N 1.375 122.643 121.223 0.076 0.000 1.994 435 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 435 L C 2.683 179.669 176.870 0.193 0.000 1.071 435 L CA 2.034 56.946 54.840 0.119 0.000 0.745 435 L CB -1.235 40.846 42.059 0.038 0.000 0.892 435 L HN 0.250 nan 8.230 nan 0.000 0.431 436 A N -0.394 122.587 122.820 0.268 0.000 1.865 436 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 436 A C 2.456 180.122 177.584 0.136 0.000 1.191 436 A CA 2.264 54.459 52.037 0.263 0.000 0.623 436 A CB -1.381 17.758 19.000 0.231 0.000 0.826 436 A HN 0.597 nan 8.150 nan 0.000 0.444 437 A N -0.480 122.404 122.820 0.107 0.000 1.978 437 A HA 0.133 4.453 4.320 -0.000 0.000 0.220 437 A C 2.444 180.089 177.584 0.102 0.000 1.170 437 A CA 2.224 54.312 52.037 0.085 0.000 0.636 437 A CB -0.885 18.151 19.000 0.061 0.000 0.810 437 A HN 1.045 nan 8.150 nan 0.000 0.448 438 A N -0.124 122.768 122.820 0.121 0.000 1.840 438 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 438 A C 2.134 179.814 177.584 0.160 0.000 1.198 438 A CA 1.301 53.422 52.037 0.140 0.000 0.608 438 A CB -0.703 18.389 19.000 0.153 0.000 0.839 438 A HN 0.442 nan 8.150 nan 0.000 0.443 439 L N -0.736 120.591 121.223 0.174 0.000 2.013 439 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 439 L C 2.604 179.614 176.870 0.235 0.000 1.073 439 L CA 1.553 56.533 54.840 0.234 0.000 0.753 439 L CB -0.790 41.368 42.059 0.164 0.000 0.890 439 L HN 0.508 nan 8.230 nan 0.000 0.432 440 L N 0.261 121.586 121.223 0.170 0.000 1.997 440 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 440 L C 2.453 179.401 176.870 0.130 0.000 1.074 440 L CA 2.117 57.040 54.840 0.138 0.000 0.763 440 L CB -0.621 41.492 42.059 0.089 0.000 0.890 440 L HN 0.293 nan 8.230 nan 0.000 0.434 441 E N -1.218 119.054 120.200 0.120 0.000 2.274 441 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 441 E C 2.116 178.786 176.600 0.117 0.000 0.996 441 E CA 0.790 57.252 56.400 0.103 0.000 0.840 441 E CB -0.088 29.671 29.700 0.098 0.000 0.772 441 E HN 0.488 nan 8.360 nan 0.000 0.491 442 L N 0.529 121.845 121.223 0.155 0.000 1.961 442 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 442 L C 2.216 179.225 176.870 0.232 0.000 1.072 442 L CA 1.979 56.932 54.840 0.188 0.000 0.749 442 L CB -0.783 41.413 42.059 0.228 0.000 0.889 442 L HN 0.282 nan 8.230 nan 0.000 0.432 443 C N 0.310 119.731 119.300 0.202 0.000 2.485 443 C HA 0.562 5.022 4.460 -0.000 0.000 0.277 443 C C 1.273 176.264 174.990 0.002 0.000 1.376 443 C CA -0.083 58.972 59.018 0.063 0.000 1.759 443 C CB -1.765 26.102 27.740 0.213 0.000 1.970 443 C HN 0.880 nan 8.230 nan 0.000 0.509 444 G N -0.196 108.658 108.800 0.091 0.000 3.409 444 G HA2 0.457 4.417 3.960 -0.000 0.000 0.686 444 G HA3 0.457 4.417 3.960 -0.000 0.000 0.686 444 G C -0.201 174.757 174.900 0.097 0.000 1.017 444 G CA -0.191 44.946 45.100 0.063 0.000 0.854 444 G HN 1.001 nan 8.290 nan 0.000 0.508 445 G N 1.356 110.196 108.800 0.067 0.000 2.894 445 G HA2 0.826 4.786 3.960 -0.000 0.000 0.164 445 G HA3 0.826 4.786 3.960 -0.000 0.000 0.164 445 G C -1.117 173.785 174.900 0.003 0.000 1.180 445 G CA -0.058 45.063 45.100 0.035 0.000 0.997 445 G HN 0.763 nan 8.290 nan 0.000 0.572 446 K N -0.451 119.933 120.400 -0.027 0.000 2.546 446 K HA 0.680 5.000 4.320 -0.000 0.000 0.264 446 K C -1.337 175.241 176.600 -0.038 0.000 0.937 446 K CA -0.550 55.724 56.287 -0.023 0.000 0.833 446 K CB 2.447 34.930 32.500 -0.027 0.000 1.378 446 K HN 0.824 nan 8.250 nan 0.000 0.432 447 A N 3.630 126.447 122.820 -0.004 0.000 2.271 447 A HA 0.688 5.007 4.320 -0.000 0.000 0.317 447 A C -0.563 177.049 177.584 0.047 0.000 1.245 447 A CA -0.643 51.399 52.037 0.007 0.000 0.857 447 A CB 0.263 19.282 19.000 0.032 0.000 1.175 447 A HN 0.537 nan 8.150 nan 0.000 0.512 448 L N 2.019 123.287 121.223 0.075 0.000 2.330 448 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 448 L C 0.376 177.399 176.870 0.255 0.000 1.013 448 L CA -0.624 54.329 54.840 0.188 0.000 0.816 448 L CB 1.896 44.133 42.059 0.297 0.000 1.287 448 L HN 0.841 nan 8.230 nan 0.000 0.435 449 N N 1.027 119.844 118.700 0.195 0.000 2.558 449 N HA 0.278 5.017 4.740 -0.000 0.000 0.242 449 N C -0.056 175.518 175.510 0.107 0.000 0.979 449 N CA -0.402 52.733 53.050 0.142 0.000 0.931 449 N CB 1.426 39.966 38.487 0.088 0.000 1.122 449 N HN 0.520 nan 8.380 nan 0.000 0.508 450 V N 0.997 120.957 119.914 0.076 0.000 3.252 450 V HA 0.312 4.432 4.120 -0.000 0.000 0.350 450 V C 0.623 176.675 176.094 -0.070 0.000 1.329 450 V CA -0.323 61.958 62.300 -0.031 0.000 1.258 450 V CB -0.220 31.496 31.823 -0.178 0.000 1.208 450 V HN 0.570 nan 8.190 nan 0.000 0.462 451 N N 0.701 119.380 118.700 -0.034 0.000 2.405 451 N HA 0.275 5.015 4.740 -0.000 0.000 0.175 451 N C 0.793 176.278 175.510 -0.042 0.000 1.051 451 N CA 0.272 53.290 53.050 -0.053 0.000 0.899 451 N CB 0.218 38.683 38.487 -0.037 0.000 1.000 451 N HN 0.480 nan 8.380 nan 0.000 0.451 452 L N 1.548 122.758 121.223 -0.021 0.000 2.461 452 L HA 0.122 4.462 4.340 -0.000 0.000 0.259 452 L C -1.803 175.051 176.870 -0.027 0.000 1.248 452 L CA -1.296 53.534 54.840 -0.016 0.000 0.823 452 L CB -0.402 41.658 42.059 0.002 0.000 1.111 452 L HN -0.136 nan 8.230 nan 0.000 0.516 453 P HA -0.031 nan 4.420 nan 0.000 0.264 453 P C 0.182 177.467 177.300 -0.025 0.000 1.193 453 P CA -0.265 62.819 63.100 -0.027 0.000 0.763 453 P CB 0.372 32.059 31.700 -0.021 0.000 0.810 454 L N 0.913 122.113 121.223 -0.038 0.000 2.450 454 L HA -0.068 4.271 4.340 -0.000 0.000 0.224 454 L C 1.065 177.927 176.870 -0.015 0.000 1.149 454 L CA 1.509 56.325 54.840 -0.041 0.000 0.816 454 L CB -1.513 40.509 42.059 -0.062 0.000 0.932 454 L HN 0.251 nan 8.230 nan 0.000 0.449 455 D N 0.628 121.023 120.400 -0.009 0.000 2.352 455 D HA -0.012 4.628 4.640 -0.000 0.000 0.232 455 D C 1.122 177.434 176.300 0.020 0.000 1.055 455 D CA 0.353 54.355 54.000 0.004 0.000 0.891 455 D CB 0.228 41.024 40.800 -0.007 0.000 0.897 455 D HN 0.330 nan 8.370 nan 0.000 0.529 456 R N -0.173 120.347 120.500 0.032 0.000 2.494 456 R HA 0.201 4.541 4.340 -0.000 0.000 0.400 456 R C 1.628 177.994 176.300 0.110 0.000 0.856 456 R CA -0.087 56.054 56.100 0.068 0.000 1.112 456 R CB -0.171 30.139 30.300 0.018 0.000 1.697 456 R HN 0.149 nan 8.270 nan 0.000 0.544 457 L N 0.383 121.648 121.223 0.069 0.000 1.994 457 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 457 L C 1.974 178.899 176.870 0.092 0.000 1.071 457 L CA 1.368 56.234 54.840 0.042 0.000 0.745 457 L CB -0.332 41.700 42.059 -0.046 0.000 0.892 457 L HN 0.210 nan 8.230 nan 0.000 0.431 458 N N -0.006 118.761 118.700 0.111 0.000 2.132 458 N HA -0.216 4.524 4.740 -0.000 0.000 0.191 458 N C 1.405 176.940 175.510 0.041 0.000 1.015 458 N CA 1.545 54.646 53.050 0.086 0.000 0.864 458 N CB -0.199 38.329 38.487 0.069 0.000 1.006 458 N HN 0.207 nan 8.380 nan 0.000 0.430 459 F N 0.709 120.686 119.950 0.046 0.000 2.725 459 F HA 0.094 4.621 4.527 -0.000 0.000 0.303 459 F C 1.983 177.817 175.800 0.055 0.000 1.167 459 F CA 0.325 58.349 58.000 0.041 0.000 1.403 459 F CB 0.362 39.370 39.000 0.013 0.000 1.077 459 F HN -0.068 nan 8.300 nan 0.000 0.537 460 E N -0.760 119.551 120.200 0.184 0.000 2.444 460 E HA 0.206 4.556 4.350 -0.000 0.000 0.203 460 E C 2.063 178.780 176.600 0.195 0.000 0.847 460 E CA 0.305 56.807 56.400 0.170 0.000 1.142 460 E CB -0.093 29.702 29.700 0.159 0.000 1.125 460 E HN 0.301 nan 8.360 nan 0.000 0.521 461 L N 0.477 121.827 121.223 0.212 0.000 2.551 461 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 461 L C 2.002 179.050 176.870 0.297 0.000 1.153 461 L CA 0.948 55.995 54.840 0.346 0.000 0.851 461 L CB -0.165 42.057 42.059 0.271 0.000 0.959 461 L HN 0.091 nan 8.230 nan 0.000 0.451 462 G N -0.854 108.025 108.800 0.132 0.000 2.777 462 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.211 462 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.211 462 G C 1.403 176.332 174.900 0.049 0.000 1.149 462 G CA 0.121 45.248 45.100 0.044 0.000 0.785 462 G HN 0.200 nan 8.290 nan 0.000 0.536 463 V N 1.067 121.031 119.914 0.082 0.000 3.041 463 V HA 0.070 4.190 4.120 -0.000 0.000 0.260 463 V C 2.816 178.929 176.094 0.031 0.000 1.105 463 V CA 1.285 63.618 62.300 0.054 0.000 1.125 463 V CB -0.105 31.759 31.823 0.068 0.000 0.730 463 V HN 0.380 nan 8.190 nan 0.000 0.479 464 A N -0.274 122.581 122.820 0.059 0.000 2.252 464 A HA 0.207 4.527 4.320 -0.000 0.000 0.207 464 A C 0.945 178.477 177.584 -0.087 0.000 1.194 464 A CA 0.123 52.121 52.037 -0.065 0.000 0.809 464 A CB -0.585 18.341 19.000 -0.124 0.000 0.814 464 A HN 0.495 nan 8.150 nan 0.000 0.482 465 I N 0.874 121.432 120.570 -0.019 0.000 2.556 465 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 465 I C -0.066 176.027 176.117 -0.040 0.000 1.114 465 I CA 0.102 61.388 61.300 -0.024 0.000 1.418 465 I CB 0.361 38.356 38.000 -0.009 0.000 1.394 465 I HN 0.256 nan 8.210 nan 0.000 0.552 466 D N 3.370 123.742 120.400 -0.047 0.000 3.012 466 D HA -0.167 4.473 4.640 -0.000 0.000 0.222 466 D C -0.119 176.159 176.300 -0.036 0.000 1.167 466 D CA 0.899 54.877 54.000 -0.036 0.000 0.854 466 D CB -0.737 40.050 40.800 -0.021 0.000 1.107 466 D HN 0.411 nan 8.370 nan 0.000 0.421 467 Q N -0.992 118.763 119.800 -0.075 0.000 2.230 467 Q HA 0.340 4.680 4.340 -0.000 0.000 0.253 467 Q C 0.968 176.929 176.000 -0.064 0.000 0.919 467 Q CA -0.538 55.224 55.803 -0.067 0.000 0.908 467 Q CB 0.832 29.494 28.738 -0.126 0.000 1.245 467 Q HN 0.140 nan 8.270 nan 0.000 0.437 468 F N 2.680 122.547 119.950 -0.138 0.000 2.186 468 F HA 0.037 4.564 4.527 -0.000 0.000 0.299 468 F C 0.539 176.227 175.800 -0.187 0.000 1.090 468 F CA 0.874 58.785 58.000 -0.149 0.000 1.307 468 F CB 0.495 39.418 39.000 -0.129 0.000 1.019 468 F HN 0.490 nan 8.300 nan 0.000 0.489 469 L N -1.805 119.282 121.223 -0.226 0.000 2.556 469 L HA 0.651 4.991 4.340 -0.000 0.000 0.257 469 L C -1.802 174.933 176.870 -0.225 0.000 0.955 469 L CA -1.061 53.585 54.840 -0.324 0.000 0.850 469 L CB 1.825 43.712 42.059 -0.285 0.000 1.398 469 L HN -0.388 nan 8.230 nan 0.000 0.412 470 V N 2.097 121.839 119.914 -0.286 0.000 2.769 470 V HA 0.699 4.819 4.120 -0.000 0.000 0.312 470 V C -0.325 175.611 176.094 -0.265 0.000 1.058 470 V CA -0.514 61.611 62.300 -0.292 0.000 0.952 470 V CB 2.157 33.731 31.823 -0.416 0.000 1.019 470 V HN 0.584 nan 8.190 nan 0.000 0.445 471 V N 3.784 123.529 119.914 -0.280 0.000 2.525 471 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 471 V C -1.052 174.916 176.094 -0.210 0.000 1.034 471 V CA -0.525 61.659 62.300 -0.193 0.000 0.863 471 V CB 1.532 33.323 31.823 -0.053 0.000 0.999 471 V HN 0.640 nan 8.190 nan 0.000 0.423 472 F N 2.641 122.678 119.950 0.145 0.000 2.375 472 F HA 0.502 5.029 4.527 -0.000 0.000 0.362 472 F C 0.573 176.415 175.800 0.070 0.000 1.129 472 F CA -0.699 57.367 58.000 0.110 0.000 1.154 472 F CB 0.960 40.027 39.000 0.112 0.000 1.205 472 F HN 0.476 nan 8.300 nan 0.000 0.513 473 E N 3.446 123.774 120.200 0.213 0.000 2.194 473 E HA 0.091 4.441 4.350 -0.000 0.000 0.284 473 E C -0.220 176.449 176.600 0.116 0.000 1.035 473 E CA -0.081 56.398 56.400 0.132 0.000 0.836 473 E CB 0.247 30.002 29.700 0.091 0.000 1.070 473 E HN 0.465 nan 8.360 nan 0.000 0.401 474 D N 3.193 123.651 120.400 0.096 0.000 2.904 474 D HA -0.154 4.486 4.640 -0.000 0.000 0.231 474 D C -0.700 175.642 176.300 0.070 0.000 1.185 474 D CA 0.880 54.929 54.000 0.083 0.000 0.783 474 D CB -0.612 40.229 40.800 0.068 0.000 0.961 474 D HN 0.290 nan 8.370 nan 0.000 0.409 475 V N 0.113 120.063 119.914 0.060 0.000 2.455 475 V HA 0.323 4.442 4.120 -0.000 0.000 0.273 475 V C 0.788 176.827 176.094 -0.092 0.000 1.045 475 V CA -0.516 61.773 62.300 -0.017 0.000 0.976 475 V CB 1.167 32.963 31.823 -0.045 0.000 0.993 475 V HN 0.105 nan 8.190 nan 0.000 0.475 476 K N 4.098 124.383 120.400 -0.192 0.000 2.270 476 K HA 0.588 4.908 4.320 -0.000 0.000 0.276 476 K C 0.745 176.896 176.600 -0.747 0.000 1.023 476 K CA 0.387 56.365 56.287 -0.514 0.000 0.955 476 K CB 1.463 33.783 32.500 -0.300 0.000 0.975 476 K HN 0.999 nan 8.250 nan 0.000 0.471 477 G N 0.515 108.393 108.800 -1.538 0.000 3.099 477 G HA2 0.340 4.300 3.960 -0.000 0.000 0.151 477 G HA3 0.340 4.300 3.960 -0.000 0.000 0.151 477 G C -0.771 173.845 174.900 -0.474 0.000 1.265 477 G CA -0.142 44.497 45.100 -0.768 0.000 0.981 477 G HN 0.497 nan 8.290 nan 0.000 0.601 478 T N -2.288 112.194 114.554 -0.120 0.000 2.883 478 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 478 T C 0.327 175.107 174.700 0.133 0.000 1.117 478 T CA 1.113 63.221 62.100 0.012 0.000 1.006 478 T CB 0.871 69.726 68.868 -0.021 0.000 1.191 478 T HN 2.196 nan 8.240 nan 0.000 0.508 479 G N 0.636 109.499 108.800 0.105 0.000 2.367 479 G HA2 0.014 3.974 3.960 -0.000 0.000 0.295 479 G HA3 0.014 3.974 3.960 -0.000 0.000 0.295 479 G C 0.596 175.563 174.900 0.112 0.000 1.019 479 G CA 0.383 45.537 45.100 0.090 0.000 1.224 479 G HN 1.333 nan 8.290 nan 0.000 0.510 480 G N -0.765 108.107 108.800 0.121 0.000 4.008 480 G HA2 0.428 4.388 3.960 -0.000 0.000 0.278 480 G HA3 0.428 4.388 3.960 -0.000 0.000 0.278 480 G C 0.722 175.618 174.900 -0.006 0.000 1.021 480 G CA 0.648 45.767 45.100 0.032 0.000 0.833 480 G HN 0.404 nan 8.290 nan 0.000 0.454 481 E N 0.705 120.919 120.200 0.023 0.000 2.409 481 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 481 E C 2.320 178.914 176.600 -0.009 0.000 1.024 481 E CA 0.678 57.083 56.400 0.009 0.000 0.861 481 E CB 0.086 29.796 29.700 0.017 0.000 0.788 481 E HN 0.282 nan 8.360 nan 0.000 0.521 482 S N 0.251 115.943 115.700 -0.014 0.000 2.474 482 S HA -0.033 4.436 4.470 -0.000 0.000 0.235 482 S C 1.200 175.780 174.600 -0.033 0.000 0.997 482 S CA 0.724 58.912 58.200 -0.019 0.000 0.949 482 S CB 0.036 63.225 63.200 -0.017 0.000 0.766 482 S HN 0.252 nan 8.310 nan 0.000 0.517 483 R N 0.648 121.118 120.500 -0.050 0.000 2.596 483 R HA 0.202 4.542 4.340 -0.000 0.000 0.369 483 R C -0.883 175.379 176.300 -0.063 0.000 1.042 483 R CA -0.109 55.951 56.100 -0.066 0.000 1.120 483 R CB 0.316 30.553 30.300 -0.105 0.000 1.353 483 R HN 0.039 nan 8.270 nan 0.000 0.564 484 D N 1.264 121.639 120.400 -0.041 0.000 2.800 484 D HA -0.169 4.471 4.640 -0.000 0.000 0.232 484 D C -0.603 175.680 176.300 -0.029 0.000 1.137 484 D CA 1.016 55.000 54.000 -0.026 0.000 0.718 484 D CB -0.979 39.807 40.800 -0.023 0.000 1.084 484 D HN 0.310 nan 8.370 nan 0.000 0.432 485 L N -0.046 121.152 121.223 -0.042 0.000 2.309 485 L HA 0.390 4.730 4.340 -0.000 0.000 0.282 485 L C -1.543 175.386 176.870 0.099 0.000 1.036 485 L CA -1.701 53.120 54.840 -0.032 0.000 0.806 485 L CB 1.350 43.252 42.059 -0.262 0.000 1.220 485 L HN -0.270 nan 8.230 nan 0.000 0.429 486 P HA 0.119 nan 4.420 nan 0.000 0.310 486 P C -0.855 176.561 177.300 0.193 0.000 1.309 486 P CA -0.283 62.903 63.100 0.142 0.000 0.753 486 P CB 0.488 32.252 31.700 0.107 0.000 1.491 487 S N -2.097 113.647 115.700 0.073 0.000 2.540 487 S HA 0.736 5.205 4.470 -0.000 0.000 0.275 487 S C -0.405 174.146 174.600 -0.081 0.000 1.123 487 S CA -0.399 57.794 58.200 -0.011 0.000 0.907 487 S CB 1.639 64.840 63.200 0.002 0.000 1.081 487 S HN 0.643 nan 8.310 nan 0.000 0.476 488 G N 0.668 109.365 108.800 -0.172 0.000 2.727 488 G HA2 0.483 4.443 3.960 -0.000 0.000 0.289 488 G HA3 0.483 4.443 3.960 -0.000 0.000 0.289 488 G C -0.919 173.885 174.900 -0.160 0.000 1.418 488 G CA -0.419 44.588 45.100 -0.154 0.000 0.818 488 G HN 0.460 nan 8.290 nan 0.000 0.486 489 Q N -0.018 119.704 119.800 -0.131 0.000 2.220 489 Q HA 0.171 4.511 4.340 -0.000 0.000 0.205 489 Q C 1.943 177.853 176.000 -0.150 0.000 0.865 489 Q CA 0.434 56.161 55.803 -0.126 0.000 0.960 489 Q CB 0.968 29.648 28.738 -0.098 0.000 1.097 489 Q HN 0.683 nan 8.270 nan 0.000 0.493 490 G N 1.859 110.557 108.800 -0.171 0.000 2.552 490 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 490 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 490 G C 1.413 176.192 174.900 -0.202 0.000 1.240 490 G CA 0.373 45.363 45.100 -0.183 0.000 0.796 490 G HN 0.257 nan 8.290 nan 0.000 0.568 491 I N 1.911 122.368 120.570 -0.189 0.000 2.118 491 I HA -0.210 3.960 4.170 -0.000 0.000 0.241 491 I C 2.534 178.564 176.117 -0.145 0.000 1.070 491 I CA 1.194 62.406 61.300 -0.146 0.000 1.327 491 I CB -1.340 36.590 38.000 -0.118 0.000 1.034 491 I HN 0.217 nan 8.210 nan 0.000 0.405 492 N N 1.454 120.071 118.700 -0.139 0.000 2.018 492 N HA -0.218 4.522 4.740 -0.000 0.000 0.196 492 N C 1.497 176.916 175.510 -0.151 0.000 1.043 492 N CA 1.648 54.624 53.050 -0.124 0.000 0.856 492 N CB -0.619 37.803 38.487 -0.108 0.000 1.042 492 N HN 0.445 nan 8.380 nan 0.000 0.423 493 N N 1.339 119.934 118.700 -0.175 0.000 2.149 493 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 493 N C 1.929 177.268 175.510 -0.285 0.000 1.019 493 N CA 0.446 53.369 53.050 -0.212 0.000 0.857 493 N CB -0.523 37.839 38.487 -0.208 0.000 0.997 493 N HN 0.293 nan 8.380 nan 0.000 0.426 494 L N 0.456 121.492 121.223 -0.311 0.000 2.275 494 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 494 L C 1.735 178.433 176.870 -0.287 0.000 1.119 494 L CA 0.924 55.532 54.840 -0.386 0.000 0.790 494 L CB -0.205 41.620 42.059 -0.390 0.000 0.919 494 L HN 0.062 nan 8.230 nan 0.000 0.443 495 D N -0.294 119.982 120.400 -0.206 0.000 2.234 495 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 495 D C 1.794 178.001 176.300 -0.154 0.000 0.962 495 D CA 0.747 54.654 54.000 -0.156 0.000 0.855 495 D CB 0.153 40.888 40.800 -0.109 0.000 0.951 495 D HN 0.148 nan 8.370 nan 0.000 0.500 496 N N -0.170 118.423 118.700 -0.178 0.000 2.457 496 N HA -0.012 4.728 4.740 -0.000 0.000 0.180 496 N C 0.450 175.844 175.510 -0.193 0.000 1.050 496 N CA 0.327 53.281 53.050 -0.160 0.000 0.906 496 N CB 0.253 38.644 38.487 -0.160 0.000 0.968 496 N HN 0.327 nan 8.380 nan 0.000 0.445 497 L N 1.205 122.257 121.223 -0.285 0.000 2.990 497 L HA 0.291 4.631 4.340 -0.000 0.000 0.231 497 L C 1.506 178.302 176.870 -0.124 0.000 1.341 497 L CA -0.210 54.426 54.840 -0.340 0.000 1.208 497 L CB 0.176 41.789 42.059 -0.744 0.000 1.571 497 L HN -0.109 nan 8.230 nan 0.000 0.453 498 R N 0.782 121.238 120.500 -0.072 0.000 2.070 498 R HA -0.152 4.188 4.340 -0.000 0.000 0.233 498 R C 1.727 178.034 176.300 0.013 0.000 1.137 498 R CA 1.856 57.922 56.100 -0.056 0.000 0.945 498 R CB -0.236 30.031 30.300 -0.055 0.000 0.845 498 R HN 0.545 nan 8.270 nan 0.000 0.430 499 D N -0.229 120.205 120.400 0.056 0.000 2.354 499 D HA -0.204 4.436 4.640 -0.000 0.000 0.216 499 D C 1.269 177.600 176.300 0.052 0.000 0.970 499 D CA 1.228 55.256 54.000 0.046 0.000 0.905 499 D CB -0.351 40.465 40.800 0.026 0.000 0.903 499 D HN 0.290 nan 8.370 nan 0.000 0.508 500 Y N 0.478 120.717 120.300 -0.102 0.000 2.269 500 Y HA 0.213 4.763 4.550 -0.000 0.000 0.294 500 Y C 1.923 177.868 175.900 0.075 0.000 1.120 500 Y CA 0.598 58.616 58.100 -0.137 0.000 1.159 500 Y CB -0.020 38.140 38.460 -0.500 0.000 1.024 500 Y HN -0.067 nan 8.280 nan 0.000 0.532 501 L N -0.006 121.311 121.223 0.155 0.000 2.851 501 L HA 0.155 4.495 4.340 -0.000 0.000 0.237 501 L C 0.133 177.101 176.870 0.163 0.000 1.257 501 L CA 0.227 55.158 54.840 0.153 0.000 1.061 501 L CB -0.065 41.817 42.059 -0.295 0.000 1.372 501 L HN 0.081 nan 8.230 nan 0.000 0.493 502 D N 0.257 120.748 120.400 0.153 0.000 2.504 502 D HA 0.140 4.780 4.640 -0.000 0.000 0.276 502 D C 1.684 178.041 176.300 0.095 0.000 1.073 502 D CA 1.078 55.136 54.000 0.096 0.000 0.905 502 D CB 0.634 41.461 40.800 0.044 0.000 1.350 502 D HN 0.202 nan 8.370 nan 0.000 0.496 503 G N 0.622 109.482 108.800 0.100 0.000 2.168 503 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 503 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 503 G C 1.193 176.106 174.900 0.023 0.000 0.997 503 G CA 1.300 46.436 45.100 0.060 0.000 0.708 503 G HN 0.431 nan 8.290 nan 0.000 0.520 504 S N -1.636 114.075 115.700 0.019 0.000 2.387 504 S HA 0.437 4.907 4.470 -0.000 0.000 0.221 504 S C 1.102 175.698 174.600 -0.008 0.000 1.041 504 S CA 1.117 59.320 58.200 0.004 0.000 0.959 504 S CB -0.002 63.202 63.200 0.007 0.000 0.843 504 S HN 1.701 nan 8.310 nan 0.000 0.488 505 V N -0.567 119.338 119.914 -0.014 0.000 2.815 505 V HA 0.628 4.747 4.120 -0.000 0.000 0.314 505 V C -1.009 175.059 176.094 -0.044 0.000 1.064 505 V CA -1.520 60.763 62.300 -0.027 0.000 0.952 505 V CB 1.404 33.210 31.823 -0.029 0.000 1.020 505 V HN 0.128 nan 8.190 nan 0.000 0.439 506 K N 2.186 122.558 120.400 -0.046 0.000 2.349 506 K HA 0.529 4.849 4.320 -0.000 0.000 0.289 506 K C -0.569 175.977 176.600 -0.090 0.000 1.064 506 K CA -0.211 56.042 56.287 -0.057 0.000 0.947 506 K CB 1.218 33.694 32.500 -0.041 0.000 1.007 506 K HN 0.609 nan 8.250 nan 0.000 0.478 507 V N 3.331 123.156 119.914 -0.149 0.000 2.785 507 V HA 0.082 4.202 4.120 -0.000 0.000 0.300 507 V C 0.200 176.201 176.094 -0.156 0.000 1.062 507 V CA -0.942 61.210 62.300 -0.247 0.000 1.029 507 V CB 1.120 32.574 31.823 -0.616 0.000 1.024 507 V HN 0.744 nan 8.190 nan 0.000 0.477 508 N N 4.607 123.239 118.700 -0.113 0.000 2.439 508 N HA 0.423 5.163 4.740 -0.000 0.000 0.249 508 N C -0.990 174.514 175.510 -0.009 0.000 1.003 508 N CA -0.235 52.788 53.050 -0.044 0.000 0.942 508 N CB 1.550 40.025 38.487 -0.019 0.000 1.115 508 N HN 0.479 nan 8.380 nan 0.000 0.505 509 L N 0.967 122.193 121.223 0.005 0.000 2.296 509 L HA 0.393 4.733 4.340 -0.000 0.000 0.286 509 L C 0.824 177.681 176.870 -0.021 0.000 1.023 509 L CA -0.659 54.206 54.840 0.042 0.000 0.812 509 L CB 1.591 43.709 42.059 0.097 0.000 1.223 509 L HN 0.415 nan 8.230 nan 0.000 0.421 510 E N 3.387 123.543 120.200 -0.074 0.000 2.318 510 E HA 0.410 4.760 4.350 -0.000 0.000 0.265 510 E C -0.920 175.478 176.600 -0.337 0.000 1.069 510 E CA -0.686 55.597 56.400 -0.194 0.000 0.893 510 E CB 1.528 31.079 29.700 -0.249 0.000 1.076 510 E HN 0.455 nan 8.360 nan 0.000 0.414 511 K N 1.933 122.117 120.400 -0.361 0.000 2.575 511 K HA 0.107 4.427 4.320 -0.000 0.000 0.255 511 K C -1.750 174.728 176.600 -0.204 0.000 0.953 511 K CA -0.617 55.465 56.287 -0.342 0.000 0.840 511 K CB 0.732 33.150 32.500 -0.136 0.000 1.303 511 K HN 0.518 nan 8.250 nan 0.000 0.438 512 K N 5.535 125.883 120.400 -0.085 0.000 4.814 512 K HA -0.262 4.058 4.320 -0.000 0.000 0.295 512 K C -0.699 176.012 176.600 0.186 0.000 0.828 512 K CA 1.567 57.917 56.287 0.106 0.000 0.895 512 K CB -2.086 30.447 32.500 0.054 0.000 1.810 512 K HN 0.948 nan 8.250 nan 0.000 0.418 513 H N -0.529 118.782 119.070 0.403 0.000 1.828 513 H HA -0.040 4.516 4.556 -0.000 0.000 0.319 513 H C -0.411 174.982 175.328 0.108 0.000 0.826 513 H CA 0.461 56.676 56.048 0.279 0.000 1.059 513 H CB -0.917 29.002 29.762 0.260 0.000 1.545 513 H HN 0.652 nan 8.280 nan 0.000 0.285 514 L N 1.444 122.769 121.223 0.170 0.000 3.976 514 L HA 0.196 4.536 4.340 -0.000 0.000 0.253 514 L C -1.661 175.223 176.870 0.023 0.000 1.011 514 L CA -0.541 54.351 54.840 0.087 0.000 1.069 514 L CB 1.362 43.478 42.059 0.096 0.000 1.791 514 L HN 0.537 nan 8.230 nan 0.000 0.481 515 N N 4.129 122.837 118.700 0.012 0.000 2.431 515 N HA 0.166 4.905 4.740 -0.000 0.000 0.265 515 N C 0.195 175.701 175.510 -0.007 0.000 1.184 515 N CA -0.029 53.016 53.050 -0.008 0.000 0.943 515 N CB 1.021 39.507 38.487 -0.001 0.000 1.080 515 N HN 0.559 nan 8.380 nan 0.000 0.477 516 K N 2.425 122.814 120.400 -0.018 0.000 2.348 516 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 516 K C 0.113 176.706 176.600 -0.011 0.000 1.052 516 K CA 0.336 56.616 56.287 -0.011 0.000 1.004 516 K CB 0.556 33.047 32.500 -0.016 0.000 0.873 516 K HN 0.438 nan 8.250 nan 0.000 0.523 517 R N -0.483 120.009 120.500 -0.014 0.000 2.536 517 R HA 0.229 4.568 4.340 -0.000 0.000 0.269 517 R C -1.502 174.789 176.300 -0.015 0.000 1.113 517 R CA -0.009 56.084 56.100 -0.013 0.000 0.948 517 R CB 1.660 31.953 30.300 -0.012 0.000 1.237 517 R HN -0.240 nan 8.270 nan 0.000 0.441 518 T N 4.188 118.732 114.554 -0.018 0.000 3.149 518 T HA 0.293 4.642 4.350 -0.000 0.000 0.373 518 T C -0.594 174.089 174.700 -0.028 0.000 1.364 518 T CA -0.548 61.537 62.100 -0.026 0.000 1.110 518 T CB 0.334 69.188 68.868 -0.023 0.000 1.127 518 T HN 0.563 nan 8.240 nan 0.000 0.576 519 Q N 1.982 121.765 119.800 -0.030 0.000 2.962 519 Q HA 0.687 5.027 4.340 -0.000 0.000 0.282 519 Q C -0.885 175.095 176.000 -0.033 0.000 1.058 519 Q CA -1.196 54.589 55.803 -0.030 0.000 0.854 519 Q CB 1.372 30.094 28.738 -0.028 0.000 1.441 519 Q HN 0.342 nan 8.270 nan 0.000 0.497 520 I N 1.854 122.407 120.570 -0.029 0.000 2.315 520 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 520 I C -0.478 175.652 176.117 0.022 0.000 1.006 520 I CA -0.723 60.570 61.300 -0.012 0.000 1.265 520 I CB 0.573 38.560 38.000 -0.021 0.000 1.387 520 I HN 0.565 nan 8.210 nan 0.000 0.475 521 F N 10.440 130.331 119.950 -0.098 0.000 2.612 521 F HA 0.071 4.597 4.527 -0.000 0.000 0.389 521 F C -1.621 174.182 175.800 0.005 0.000 1.055 521 F CA -1.247 56.737 58.000 -0.027 0.000 1.232 521 F CB 0.178 39.191 39.000 0.022 0.000 1.044 521 F HN 0.291 nan 8.300 nan 0.000 0.560 522 P HA 0.116 nan 4.420 nan 0.000 0.271 522 P C -2.767 174.335 177.300 -0.330 0.000 1.218 522 P CA -1.147 61.706 63.100 -0.413 0.000 0.780 522 P CB 0.387 31.799 31.700 -0.480 0.000 0.901 523 P HA 0.381 nan 4.420 nan 0.000 0.277 523 P C 0.122 176.985 177.300 -0.728 0.000 1.271 523 P CA 0.223 62.915 63.100 -0.680 0.000 0.795 523 P CB 0.860 32.223 31.700 -0.561 0.000 1.101 524 G N -0.896 107.288 108.800 -1.028 0.000 2.356 524 G HA2 0.378 4.338 3.960 -0.000 0.000 0.281 524 G HA3 0.378 4.338 3.960 -0.000 0.000 0.281 524 G C -1.704 173.166 174.900 -0.049 0.000 1.246 524 G CA -0.517 44.368 45.100 -0.358 0.000 0.889 524 G HN 0.390 nan 8.290 nan 0.000 0.486 525 I N 0.313 120.924 120.570 0.069 0.000 2.750 525 I HA 0.680 4.850 4.170 -0.000 0.000 0.308 525 I C -0.280 175.954 176.117 0.196 0.000 1.016 525 I CA -1.060 60.246 61.300 0.010 0.000 1.098 525 I CB 1.596 39.384 38.000 -0.354 0.000 1.279 525 I HN 0.244 nan 8.210 nan 0.000 0.454 526 V N 2.840 122.837 119.914 0.139 0.000 2.445 526 V HA 0.233 4.353 4.120 -0.000 0.000 0.283 526 V C 0.028 176.141 176.094 0.031 0.000 1.014 526 V CA -0.659 61.779 62.300 0.231 0.000 0.852 526 V CB 1.537 33.576 31.823 0.360 0.000 1.021 526 V HN 0.912 nan 8.190 nan 0.000 0.435 527 T N 3.634 118.234 114.554 0.077 0.000 2.845 527 T HA 0.865 5.215 4.350 -0.000 0.000 0.288 527 T C -0.401 174.345 174.700 0.078 0.000 0.980 527 T CA -0.520 61.626 62.100 0.076 0.000 1.071 527 T CB 1.509 70.430 68.868 0.087 0.000 0.941 527 T HN 0.784 nan 8.240 nan 0.000 0.487 528 M N 1.332 120.973 119.600 0.068 0.000 2.880 528 M HA 0.540 5.020 4.480 -0.000 0.000 0.269 528 M C -1.365 174.997 176.300 0.103 0.000 1.248 528 M CA -1.088 54.276 55.300 0.107 0.000 0.821 528 M CB 1.447 34.117 32.600 0.116 0.000 1.650 528 M HN 0.480 nan 8.290 nan 0.000 0.479 529 N N -0.226 118.571 118.700 0.161 0.000 2.431 529 N HA 0.212 4.952 4.740 -0.000 0.000 0.289 529 N C -0.803 174.678 175.510 -0.048 0.000 1.277 529 N CA -0.779 52.271 53.050 -0.001 0.000 0.972 529 N CB 0.568 38.971 38.487 -0.140 0.000 1.143 529 N HN 0.647 nan 8.380 nan 0.000 0.578 530 E N 0.500 120.596 120.200 -0.173 0.000 2.975 530 E HA -0.011 4.339 4.350 -0.000 0.000 0.301 530 E C -0.829 175.672 176.600 -0.164 0.000 1.554 530 E CA 0.204 56.527 56.400 -0.128 0.000 1.716 530 E CB -0.297 29.335 29.700 -0.112 0.000 1.365 530 E HN 0.374 nan 8.360 nan 0.000 0.469 531 Y N 0.507 120.803 120.300 -0.006 0.000 2.334 531 Y HA 0.053 4.603 4.550 -0.000 0.000 0.325 531 Y C 1.255 177.153 175.900 -0.003 0.000 1.308 531 Y CA -0.813 57.283 58.100 -0.006 0.000 1.389 531 Y CB 0.911 39.366 38.460 -0.009 0.000 1.328 531 Y HN 0.016 nan 8.280 nan 0.000 0.532 532 S N 0.537 116.352 115.700 0.192 0.000 2.452 532 S HA 0.542 5.012 4.470 -0.000 0.000 0.284 532 S C -0.858 173.793 174.600 0.085 0.000 1.171 532 S CA -0.873 57.389 58.200 0.102 0.000 1.064 532 S CB 0.582 63.826 63.200 0.073 0.000 0.967 532 S HN 0.356 nan 8.310 nan 0.000 0.484 533 V N 4.829 124.789 119.914 0.076 0.000 2.439 533 V HA 0.385 4.505 4.120 -0.000 0.000 0.282 533 V C -1.967 174.167 176.094 0.067 0.000 1.039 533 V CA -1.702 60.646 62.300 0.080 0.000 0.913 533 V CB 0.795 32.687 31.823 0.115 0.000 0.983 533 V HN 0.766 nan 8.190 nan 0.000 0.460 534 P HA 0.150 nan 4.420 nan 0.000 0.272 534 P C 0.844 178.167 177.300 0.038 0.000 1.223 534 P CA -0.384 62.734 63.100 0.030 0.000 0.784 534 P CB 0.664 32.367 31.700 0.006 0.000 0.923 535 K N 0.993 121.409 120.400 0.026 0.000 2.044 535 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 535 K C 1.577 178.186 176.600 0.016 0.000 1.049 535 K CA 2.401 58.703 56.287 0.025 0.000 0.927 535 K CB -0.621 31.888 32.500 0.015 0.000 0.713 535 K HN 0.662 nan 8.250 nan 0.000 0.443 536 T N -0.034 114.518 114.554 -0.002 0.000 2.746 536 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 536 T C 1.882 176.552 174.700 -0.050 0.000 1.039 536 T CA 1.172 63.258 62.100 -0.024 0.000 1.142 536 T CB -0.351 68.496 68.868 -0.034 0.000 0.866 536 T HN 0.234 nan 8.240 nan 0.000 0.444 537 L N 0.912 122.111 121.223 -0.039 0.000 2.156 537 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 537 L C 2.654 179.491 176.870 -0.055 0.000 1.095 537 L CA 1.575 56.367 54.840 -0.080 0.000 0.770 537 L CB -1.017 41.046 42.059 0.006 0.000 0.914 537 L HN 0.203 nan 8.230 nan 0.000 0.439 538 Q N 0.262 120.122 119.800 0.100 0.000 2.061 538 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 538 Q C 2.142 178.217 176.000 0.124 0.000 0.984 538 Q CA 2.170 58.109 55.803 0.226 0.000 0.846 538 Q CB -0.567 28.262 28.738 0.152 0.000 0.902 538 Q HN 0.580 nan 8.270 nan 0.000 0.421 539 A N 0.001 122.835 122.820 0.024 0.000 2.234 539 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 539 A C 1.523 179.077 177.584 -0.050 0.000 1.167 539 A CA 1.137 53.177 52.037 0.005 0.000 0.698 539 A CB -0.356 18.643 19.000 -0.003 0.000 0.779 539 A HN 0.214 nan 8.150 nan 0.000 0.475 540 R N -1.254 119.118 120.500 -0.213 0.000 2.280 540 R HA 0.179 4.519 4.340 -0.000 0.000 0.195 540 R C -0.658 175.474 176.300 -0.279 0.000 0.935 540 R CA 0.051 55.966 56.100 -0.309 0.000 1.033 540 R CB -0.488 29.483 30.300 -0.549 0.000 0.964 540 R HN 0.547 nan 8.270 nan 0.000 0.489 541 F N 0.723 120.755 119.950 0.137 0.000 2.361 541 F HA 0.138 4.665 4.527 -0.000 0.000 0.364 541 F C 1.691 177.562 175.800 0.118 0.000 1.120 541 F CA -0.848 57.255 58.000 0.171 0.000 1.102 541 F CB 1.344 40.421 39.000 0.129 0.000 1.183 541 F HN -0.360 nan 8.300 nan 0.000 0.476 542 V N 0.734 120.832 119.914 0.307 0.000 2.379 542 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 542 V C 0.650 176.767 176.094 0.040 0.000 1.044 542 V CA 1.090 63.493 62.300 0.171 0.000 1.036 542 V CB -0.584 31.365 31.823 0.210 0.000 0.664 542 V HN 0.641 nan 8.190 nan 0.000 0.453 543 K N 0.285 120.631 120.400 -0.090 0.000 2.468 543 K HA 0.485 4.805 4.320 -0.000 0.000 0.252 543 K C -1.092 175.359 176.600 -0.247 0.000 0.932 543 K CA -0.571 55.517 56.287 -0.332 0.000 0.794 543 K CB 2.172 34.153 32.500 -0.866 0.000 1.241 543 K HN 0.275 nan 8.250 nan 0.000 0.428 544 Q N 5.307 125.013 119.800 -0.157 0.000 2.310 544 Q HA 0.382 4.722 4.340 -0.000 0.000 0.270 544 Q C -1.354 174.623 176.000 -0.039 0.000 1.025 544 Q CA -0.656 55.110 55.803 -0.062 0.000 0.772 544 Q CB 1.218 29.936 28.738 -0.033 0.000 1.253 544 Q HN 0.614 nan 8.270 nan 0.000 0.450 545 I N 3.654 124.279 120.570 0.092 0.000 2.321 545 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 545 I C -0.574 175.606 176.117 0.104 0.000 0.998 545 I CA -0.654 60.670 61.300 0.041 0.000 1.227 545 I CB 1.361 39.400 38.000 0.065 0.000 1.368 545 I HN 0.504 nan 8.210 nan 0.000 0.466 546 D N 7.532 127.917 120.400 -0.026 0.000 2.456 546 D HA 0.245 4.885 4.640 -0.000 0.000 0.219 546 D C -0.264 176.017 176.300 -0.032 0.000 1.126 546 D CA -0.127 53.892 54.000 0.032 0.000 0.890 546 D CB 0.773 41.567 40.800 -0.010 0.000 1.025 546 D HN 0.113 nan 8.370 nan 0.000 0.511 547 F N 1.672 121.569 119.950 -0.089 0.000 2.450 547 F HA 0.254 4.781 4.527 -0.000 0.000 0.339 547 F C 1.343 177.086 175.800 -0.094 0.000 1.146 547 F CA -0.007 57.923 58.000 -0.118 0.000 1.267 547 F CB 0.719 39.640 39.000 -0.133 0.000 1.178 547 F HN -0.040 nan 8.300 nan 0.000 0.585 548 R N 1.633 122.156 120.500 0.038 0.000 2.651 548 R HA 0.403 4.742 4.340 -0.000 0.000 0.278 548 R C -2.859 173.419 176.300 -0.036 0.000 1.010 548 R CA -2.059 54.035 56.100 -0.009 0.000 0.896 548 R CB 1.572 31.843 30.300 -0.049 0.000 1.211 548 R HN 0.266 nan 8.270 nan 0.000 0.456 549 P HA 0.066 nan 4.420 nan 0.000 0.267 549 P C -1.207 176.013 177.300 -0.132 0.000 1.205 549 P CA -0.072 62.982 63.100 -0.076 0.000 0.765 549 P CB 0.564 32.227 31.700 -0.062 0.000 0.828 550 K N 2.871 123.136 120.400 -0.225 0.000 2.579 550 K HA 0.155 4.475 4.320 -0.000 0.000 0.250 550 K C 0.468 176.786 176.600 -0.469 0.000 0.952 550 K CA -0.591 55.468 56.287 -0.380 0.000 0.857 550 K CB 1.592 33.718 32.500 -0.622 0.000 1.123 550 K HN 0.364 nan 8.250 nan 0.000 0.433 551 D N 2.432 122.668 120.400 -0.274 0.000 2.421 551 D HA -0.334 4.305 4.640 -0.000 0.000 0.195 551 D C 1.790 177.935 176.300 -0.258 0.000 1.022 551 D CA 2.413 56.278 54.000 -0.224 0.000 0.871 551 D CB -0.577 40.255 40.800 0.053 0.000 1.026 551 D HN 0.715 nan 8.370 nan 0.000 0.462 552 Y N 0.964 121.276 120.300 0.020 0.000 2.102 552 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 552 Y C 2.677 178.615 175.900 0.063 0.000 1.178 552 Y CA 0.810 58.963 58.100 0.088 0.000 1.146 552 Y CB -1.126 37.348 38.460 0.024 0.000 0.968 552 Y HN -0.049 nan 8.280 nan 0.000 0.504 553 L N 0.652 121.612 121.223 -0.438 0.000 2.013 553 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 553 L C 2.889 179.857 176.870 0.162 0.000 1.073 553 L CA 2.255 57.051 54.840 -0.074 0.000 0.753 553 L CB -0.639 41.209 42.059 -0.350 0.000 0.890 553 L HN 0.322 nan 8.230 nan 0.000 0.432 554 K N -0.845 119.501 120.400 -0.090 0.000 2.002 554 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 554 K C 2.250 178.796 176.600 -0.089 0.000 1.048 554 K CA 1.456 57.666 56.287 -0.127 0.000 0.930 554 K CB -0.103 32.224 32.500 -0.289 0.000 0.714 554 K HN 0.355 nan 8.250 nan 0.000 0.438 555 H N 0.349 119.446 119.070 0.044 0.000 2.321 555 H HA -0.158 4.398 4.556 -0.000 0.000 0.300 555 H C 2.532 177.892 175.328 0.053 0.000 1.087 555 H CA 1.392 57.466 56.048 0.043 0.000 1.319 555 H CB -0.995 28.800 29.762 0.054 0.000 1.379 555 H HN 0.410 nan 8.280 nan 0.000 0.501 556 C N 1.086 120.521 119.300 0.226 0.000 2.391 556 C HA -0.153 4.307 4.460 -0.000 0.000 0.276 556 C C 2.924 177.953 174.990 0.066 0.000 1.217 556 C CA 0.816 59.942 59.018 0.181 0.000 1.766 556 C CB -1.486 26.430 27.740 0.293 0.000 2.046 556 C HN 0.427 nan 8.230 nan 0.000 0.475 557 L N 0.152 121.377 121.223 0.003 0.000 2.291 557 L HA -0.054 4.286 4.340 -0.000 0.000 0.214 557 L C 2.564 179.371 176.870 -0.104 0.000 1.120 557 L CA 1.384 56.120 54.840 -0.174 0.000 0.799 557 L CB -0.546 41.347 42.059 -0.276 0.000 0.925 557 L HN 0.469 nan 8.230 nan 0.000 0.446 558 E N -0.281 119.909 120.200 -0.016 0.000 2.418 558 E HA -0.134 4.215 4.350 -0.000 0.000 0.197 558 E C 1.721 178.334 176.600 0.021 0.000 1.026 558 E CA 0.532 56.937 56.400 0.009 0.000 0.862 558 E CB 0.194 29.933 29.700 0.066 0.000 0.799 558 E HN 0.458 nan 8.360 nan 0.000 0.518 559 R N -0.476 120.042 120.500 0.030 0.000 2.419 559 R HA 0.183 4.523 4.340 -0.000 0.000 0.235 559 R C 0.361 176.701 176.300 0.066 0.000 0.899 559 R CA 0.111 56.242 56.100 0.051 0.000 1.048 559 R CB 0.993 31.332 30.300 0.065 0.000 1.182 559 R HN -0.145 nan 8.270 nan 0.000 0.544 560 S N 1.912 117.609 115.700 -0.005 0.000 2.256 560 S HA 0.039 4.509 4.470 -0.000 0.000 0.210 560 S C 0.721 175.141 174.600 -0.300 0.000 1.329 560 S CA -0.469 57.683 58.200 -0.081 0.000 1.267 560 S CB 0.666 63.757 63.200 -0.181 0.000 1.086 560 S HN 0.232 nan 8.310 nan 0.000 0.468 561 E N 1.612 121.743 120.200 -0.114 0.000 2.268 561 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 561 E C 1.398 177.888 176.600 -0.184 0.000 0.995 561 E CA 0.784 57.093 56.400 -0.152 0.000 0.836 561 E CB -0.750 28.921 29.700 -0.049 0.000 0.763 561 E HN 0.751 nan 8.360 nan 0.000 0.491 562 F N 0.649 120.531 119.950 -0.113 0.000 2.408 562 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 562 F C 1.897 177.582 175.800 -0.192 0.000 1.090 562 F CA 0.452 58.379 58.000 -0.123 0.000 1.427 562 F CB -0.562 38.385 39.000 -0.088 0.000 1.070 562 F HN -0.143 nan 8.300 nan 0.000 0.549 563 L N -0.063 120.538 121.223 -1.037 0.000 2.552 563 L HA 0.015 4.354 4.340 -0.000 0.000 0.227 563 L C 1.881 178.422 176.870 -0.548 0.000 1.146 563 L CA 0.473 54.797 54.840 -0.861 0.000 0.858 563 L CB -0.210 41.277 42.059 -0.953 0.000 0.969 563 L HN 0.368 nan 8.230 nan 0.000 0.451 564 L N -1.579 119.394 121.223 -0.417 0.000 2.515 564 L HA 0.055 4.395 4.340 -0.000 0.000 0.202 564 L C 2.070 178.826 176.870 -0.190 0.000 1.056 564 L CA 0.197 54.859 54.840 -0.297 0.000 0.847 564 L CB 0.039 41.936 42.059 -0.270 0.000 1.131 564 L HN 0.096 nan 8.230 nan 0.000 0.484 565 E N 0.909 121.024 120.200 -0.142 0.000 2.401 565 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 565 E C 0.877 177.443 176.600 -0.057 0.000 1.023 565 E CA 0.784 57.141 56.400 -0.071 0.000 0.859 565 E CB 0.097 29.782 29.700 -0.026 0.000 0.780 565 E HN 0.387 nan 8.360 nan 0.000 0.523 566 K N 0.213 120.554 120.400 -0.098 0.000 2.447 566 K HA 0.186 4.506 4.320 -0.000 0.000 0.205 566 K C -0.501 176.010 176.600 -0.149 0.000 1.059 566 K CA -0.327 55.907 56.287 -0.088 0.000 1.065 566 K CB 0.770 33.225 32.500 -0.075 0.000 0.885 566 K HN -0.134 nan 8.250 nan 0.000 0.545 567 R N 0.944 121.345 120.500 -0.166 0.000 2.939 567 R HA -0.189 4.151 4.340 -0.000 0.000 0.255 567 R C 0.370 176.530 176.300 -0.234 0.000 0.882 567 R CA 0.181 56.188 56.100 -0.155 0.000 0.658 567 R CB -1.770 28.495 30.300 -0.058 0.000 1.447 567 R HN 0.329 nan 8.270 nan 0.000 0.506 568 I N 0.312 120.651 120.570 -0.384 0.000 3.196 568 I HA -0.062 4.108 4.170 -0.000 0.000 0.248 568 I C 2.234 178.210 176.117 -0.236 0.000 1.105 568 I CA 0.470 61.435 61.300 -0.558 0.000 1.482 568 I CB -0.153 37.367 38.000 -0.799 0.000 1.400 568 I HN 0.415 nan 8.210 nan 0.000 0.464 569 I N 0.643 121.066 120.570 -0.245 0.000 2.502 569 I HA -0.268 3.902 4.170 -0.000 0.000 0.258 569 I C 1.491 177.620 176.117 0.021 0.000 1.172 569 I CA 1.422 62.669 61.300 -0.088 0.000 1.430 569 I CB -0.666 37.154 38.000 -0.300 0.000 1.086 569 I HN 0.423 nan 8.210 nan 0.000 0.440 570 Q N 1.707 121.492 119.800 -0.026 0.000 2.201 570 Q HA 0.334 4.673 4.340 -0.000 0.000 0.236 570 Q C 0.253 176.298 176.000 0.074 0.000 0.857 570 Q CA -0.165 55.658 55.803 0.033 0.000 1.025 570 Q CB 0.440 29.174 28.738 -0.005 0.000 1.124 570 Q HN 0.430 nan 8.270 nan 0.000 0.473 571 S N -0.730 115.041 115.700 0.119 0.000 2.681 571 S HA 0.634 5.104 4.470 -0.000 0.000 0.299 571 S C 0.883 175.609 174.600 0.211 0.000 1.113 571 S CA -0.005 58.315 58.200 0.201 0.000 1.013 571 S CB 1.493 64.916 63.200 0.373 0.000 1.076 571 S HN 0.343 nan 8.310 nan 0.000 0.534 572 G N 2.077 110.986 108.800 0.182 0.000 2.453 572 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 572 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 572 G C 1.268 176.233 174.900 0.109 0.000 1.147 572 G CA 0.244 45.427 45.100 0.138 0.000 0.802 572 G HN 0.632 nan 8.290 nan 0.000 0.535 573 I N 2.260 122.897 120.570 0.111 0.000 2.163 573 I HA -0.202 3.968 4.170 -0.000 0.000 0.243 573 I C 3.259 179.449 176.117 0.122 0.000 1.085 573 I CA 1.309 62.604 61.300 -0.008 0.000 1.347 573 I CB -1.376 36.468 38.000 -0.260 0.000 1.044 573 I HN 0.251 nan 8.210 nan 0.000 0.408 574 A N 1.119 124.166 122.820 0.378 0.000 1.892 574 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 574 A C 2.431 180.144 177.584 0.216 0.000 1.188 574 A CA 1.641 53.905 52.037 0.377 0.000 0.631 574 A CB -0.972 18.255 19.000 0.379 0.000 0.822 574 A HN 0.424 nan 8.150 nan 0.000 0.447 575 L N -1.321 120.010 121.223 0.179 0.000 2.093 575 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 575 L C 2.585 179.508 176.870 0.089 0.000 1.085 575 L CA 1.060 55.991 54.840 0.153 0.000 0.755 575 L CB -0.545 41.610 42.059 0.160 0.000 0.904 575 L HN 0.465 nan 8.230 nan 0.000 0.435 576 L N 0.178 121.393 121.223 -0.013 0.000 1.976 576 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 576 L C 2.394 179.225 176.870 -0.064 0.000 1.071 576 L CA 1.777 56.519 54.840 -0.163 0.000 0.746 576 L CB -0.553 41.315 42.059 -0.319 0.000 0.890 576 L HN 0.073 nan 8.230 nan 0.000 0.432 577 L N -1.230 119.965 121.223 -0.046 0.000 2.081 577 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 577 L C 2.653 179.601 176.870 0.130 0.000 1.080 577 L CA 1.917 56.759 54.840 0.003 0.000 0.754 577 L CB -0.504 41.551 42.059 -0.006 0.000 0.893 577 L HN 0.437 nan 8.230 nan 0.000 0.433 578 M N -0.700 119.006 119.600 0.177 0.000 2.374 578 M HA -0.188 4.292 4.480 -0.000 0.000 0.264 578 M C 2.007 178.536 176.300 0.381 0.000 1.067 578 M CA 1.526 57.006 55.300 0.301 0.000 1.103 578 M CB 0.094 32.855 32.600 0.268 0.000 1.402 578 M HN 0.269 nan 8.290 nan 0.000 0.444 579 L N -0.410 120.984 121.223 0.284 0.000 2.162 579 L HA -0.131 4.208 4.340 -0.000 0.000 0.205 579 L C 2.224 179.357 176.870 0.439 0.000 1.086 579 L CA 0.149 55.195 54.840 0.344 0.000 0.778 579 L CB -0.470 41.785 42.059 0.327 0.000 0.928 579 L HN 0.252 nan 8.230 nan 0.000 0.446 580 I N -0.689 120.084 120.570 0.338 0.000 2.090 580 I HA -0.361 3.809 4.170 -0.000 0.000 0.236 580 I C 2.400 178.720 176.117 0.339 0.000 1.064 580 I CA 1.801 63.276 61.300 0.293 0.000 1.324 580 I CB -1.545 36.571 38.000 0.193 0.000 1.044 580 I HN 0.535 nan 8.210 nan 0.000 0.399 581 W N 1.095 122.434 121.300 0.065 0.000 2.280 581 W HA -0.356 4.303 4.660 -0.000 0.000 0.332 581 W C 2.633 179.050 176.519 -0.170 0.000 1.300 581 W CA 2.001 59.279 57.345 -0.111 0.000 1.274 581 W CB -0.323 29.003 29.460 -0.224 0.000 1.141 581 W HN 0.088 nan 8.180 nan 0.000 0.474 582 Y N -0.217 120.137 120.300 0.090 0.000 2.362 582 Y HA 0.032 4.582 4.550 -0.000 0.000 0.258 582 Y C 1.333 177.217 175.900 -0.027 0.000 1.048 582 Y CA 0.756 58.830 58.100 -0.045 0.000 1.070 582 Y CB -1.444 37.027 38.460 0.017 0.000 1.028 582 Y HN -0.395 nan 8.280 nan 0.000 0.475 583 R N 2.035 122.654 120.500 0.199 0.000 2.503 583 R HA -0.081 4.259 4.340 -0.000 0.000 0.271 583 R C -2.530 173.806 176.300 0.060 0.000 0.960 583 R CA -0.774 55.333 56.100 0.012 0.000 1.104 583 R CB -1.423 28.794 30.300 -0.140 0.000 0.879 583 R HN 0.189 nan 8.270 nan 0.000 0.420 584 P HA 0.024 nan 4.420 nan 0.000 0.275 584 P C 0.820 178.209 177.300 0.149 0.000 1.266 584 P CA -0.377 62.744 63.100 0.035 0.000 0.793 584 P CB 0.427 32.112 31.700 -0.025 0.000 1.074 585 V N -2.520 117.507 119.914 0.189 0.000 3.306 585 V HA 0.047 4.167 4.120 -0.000 0.000 0.264 585 V C 1.707 177.939 176.094 0.231 0.000 1.149 585 V CA 1.471 63.959 62.300 0.313 0.000 1.143 585 V CB -1.832 30.111 31.823 0.200 0.000 0.767 585 V HN 0.479 nan 8.190 nan 0.000 0.476 586 A N 0.501 123.386 122.820 0.108 0.000 2.168 586 A HA 0.011 4.331 4.320 -0.000 0.000 0.215 586 A C 2.034 179.647 177.584 0.048 0.000 1.152 586 A CA 1.196 53.277 52.037 0.072 0.000 0.716 586 A CB -0.374 18.647 19.000 0.035 0.000 0.794 586 A HN 0.655 nan 8.150 nan 0.000 0.465 587 E N -1.570 118.608 120.200 -0.037 0.000 2.474 587 E HA 0.154 4.503 4.350 -0.000 0.000 0.194 587 E C -0.527 176.011 176.600 -0.103 0.000 1.041 587 E CA -0.267 56.072 56.400 -0.102 0.000 0.874 587 E CB 0.147 29.637 29.700 -0.350 0.000 0.914 587 E HN 0.664 nan 8.360 nan 0.000 0.498 588 F N 0.831 120.872 119.950 0.151 0.000 2.375 588 F HA 0.441 4.967 4.527 -0.000 0.000 0.317 588 F C 0.650 176.518 175.800 0.114 0.000 1.124 588 F CA -1.240 56.857 58.000 0.162 0.000 1.050 588 F CB 0.646 39.742 39.000 0.162 0.000 1.314 588 F HN -0.204 nan 8.300 nan 0.000 0.511 589 A N 0.775 123.800 122.820 0.342 0.000 2.362 589 A HA 0.311 4.631 4.320 -0.000 0.000 0.276 589 A C 0.695 178.370 177.584 0.151 0.000 1.153 589 A CA -0.794 51.352 52.037 0.182 0.000 0.813 589 A CB 0.607 19.677 19.000 0.117 0.000 1.081 589 A HN 0.811 nan 8.150 nan 0.000 0.507 590 Q N 3.031 122.899 119.800 0.113 0.000 2.182 590 Q HA -0.316 4.024 4.340 -0.000 0.000 0.213 590 Q C 1.734 177.778 176.000 0.074 0.000 1.000 590 Q CA 2.715 58.571 55.803 0.088 0.000 0.889 590 Q CB -1.681 27.096 28.738 0.065 0.000 0.932 590 Q HN 0.876 nan 8.270 nan 0.000 0.415 591 S N 0.596 116.334 115.700 0.064 0.000 2.383 591 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 591 S C 1.764 176.397 174.600 0.056 0.000 1.030 591 S CA 1.354 59.585 58.200 0.051 0.000 1.002 591 S CB -0.548 62.675 63.200 0.039 0.000 0.829 591 S HN 0.624 nan 8.310 nan 0.000 0.467 592 I N -0.430 120.182 120.570 0.070 0.000 3.968 592 I HA 0.276 4.446 4.170 -0.000 0.000 0.328 592 I C 1.910 178.050 176.117 0.038 0.000 1.290 592 I CA -0.224 61.110 61.300 0.057 0.000 1.163 592 I CB -0.924 37.116 38.000 0.066 0.000 1.024 592 I HN 0.023 nan 8.210 nan 0.000 0.413 593 Q N 1.813 121.658 119.800 0.074 0.000 2.268 593 Q HA -0.212 4.127 4.340 -0.000 0.000 0.210 593 Q C 2.228 178.253 176.000 0.042 0.000 0.988 593 Q CA 2.193 58.042 55.803 0.078 0.000 0.883 593 Q CB -0.373 28.435 28.738 0.116 0.000 0.911 593 Q HN 0.825 nan 8.270 nan 0.000 0.430 594 S N 0.005 115.731 115.700 0.043 0.000 2.428 594 S HA -0.080 4.390 4.470 -0.000 0.000 0.230 594 S C 1.796 176.420 174.600 0.041 0.000 1.014 594 S CA 0.553 58.776 58.200 0.037 0.000 0.957 594 S CB -0.023 63.199 63.200 0.036 0.000 0.784 594 S HN 0.257 nan 8.310 nan 0.000 0.499 595 R N 0.176 120.705 120.500 0.050 0.000 2.112 595 R HA 0.261 4.601 4.340 -0.000 0.000 0.216 595 R C 1.994 178.365 176.300 0.119 0.000 1.080 595 R CA 0.615 56.779 56.100 0.107 0.000 0.996 595 R CB -0.154 30.215 30.300 0.115 0.000 0.902 595 R HN 0.325 nan 8.270 nan 0.000 0.449 596 I N 0.730 121.280 120.570 -0.034 0.000 2.264 596 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 596 I C 2.191 178.318 176.117 0.016 0.000 1.111 596 I CA 1.265 62.477 61.300 -0.147 0.000 1.382 596 I CB -0.632 37.074 38.000 -0.490 0.000 1.060 596 I HN 0.029 nan 8.210 nan 0.000 0.418 597 V N 0.979 120.910 119.914 0.028 0.000 2.270 597 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 597 V C 2.401 178.511 176.094 0.026 0.000 1.043 597 V CA 1.645 63.967 62.300 0.035 0.000 1.014 597 V CB -0.631 31.207 31.823 0.025 0.000 0.645 597 V HN 0.421 nan 8.190 nan 0.000 0.447 598 E N -1.166 119.039 120.200 0.008 0.000 2.130 598 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 598 E C 1.361 177.850 176.600 -0.185 0.000 0.998 598 E CA 1.671 58.015 56.400 -0.094 0.000 0.806 598 E CB -0.224 29.406 29.700 -0.116 0.000 0.738 598 E HN 0.733 nan 8.360 nan 0.000 0.459 599 W N 0.809 122.092 121.300 -0.028 0.000 3.285 599 W HA 0.164 4.824 4.660 -0.000 0.000 0.426 599 W C 1.370 177.901 176.519 0.021 0.000 0.957 599 W CA -0.010 57.322 57.345 -0.021 0.000 1.932 599 W CB 0.336 29.765 29.460 -0.052 0.000 0.961 599 W HN -0.067 nan 8.180 nan 0.000 0.832 600 K N -1.380 119.100 120.400 0.132 0.000 2.620 600 K HA 0.054 4.374 4.320 -0.000 0.000 0.208 600 K C 1.292 177.943 176.600 0.085 0.000 1.582 600 K CA 0.190 56.566 56.287 0.148 0.000 1.083 600 K CB 0.684 33.243 32.500 0.098 0.000 1.420 600 K HN 0.011 nan 8.250 nan 0.000 0.582 601 E N 0.945 121.150 120.200 0.008 0.000 2.385 601 E HA -0.083 4.266 4.350 -0.000 0.000 0.194 601 E C 1.548 178.116 176.600 -0.054 0.000 1.013 601 E CA 0.656 57.041 56.400 -0.024 0.000 0.866 601 E CB 0.336 30.006 29.700 -0.051 0.000 0.832 601 E HN 0.162 nan 8.360 nan 0.000 0.500 602 R N -0.275 120.161 120.500 -0.107 0.000 2.365 602 R HA 0.116 4.456 4.340 -0.000 0.000 0.223 602 R C 1.614 177.868 176.300 -0.077 0.000 0.899 602 R CA 0.116 56.118 56.100 -0.164 0.000 1.059 602 R CB 0.086 30.169 30.300 -0.361 0.000 1.086 602 R HN -0.000 nan 8.270 nan 0.000 0.522 603 L N 1.171 122.429 121.223 0.059 0.000 2.200 603 L HA 0.084 4.424 4.340 -0.000 0.000 0.200 603 L C 1.937 179.003 176.870 0.327 0.000 1.072 603 L CA 1.789 56.758 54.840 0.214 0.000 0.787 603 L CB -0.351 41.902 42.059 0.323 0.000 0.957 603 L HN 0.307 nan 8.230 nan 0.000 0.459 604 D N -0.481 120.122 120.400 0.338 0.000 2.264 604 D HA -0.246 4.394 4.640 -0.000 0.000 0.208 604 D C 1.938 178.332 176.300 0.157 0.000 0.966 604 D CA 0.771 54.957 54.000 0.310 0.000 0.864 604 D CB 0.307 41.191 40.800 0.139 0.000 0.933 604 D HN 0.301 nan 8.370 nan 0.000 0.499 605 K N 0.157 120.598 120.400 0.069 0.000 2.167 605 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 605 K C 1.911 178.473 176.600 -0.063 0.000 1.052 605 K CA 0.594 56.877 56.287 -0.007 0.000 0.956 605 K CB 0.301 32.773 32.500 -0.046 0.000 0.735 605 K HN 0.027 nan 8.250 nan 0.000 0.451 606 E N -0.448 119.684 120.200 -0.114 0.000 2.102 606 E HA 0.015 4.364 4.350 -0.000 0.000 0.190 606 E C -0.067 176.207 176.600 -0.542 0.000 0.971 606 E CA 0.683 56.853 56.400 -0.384 0.000 0.821 606 E CB 0.256 29.627 29.700 -0.549 0.000 0.777 606 E HN 0.086 nan 8.360 nan 0.000 0.460 607 F N 0.149 120.131 119.950 0.054 0.000 2.538 607 F HA 0.250 4.776 4.527 -0.000 0.000 0.325 607 F C 0.618 176.530 175.800 0.186 0.000 1.066 607 F CA -1.038 57.018 58.000 0.094 0.000 0.946 607 F CB 1.579 40.593 39.000 0.024 0.000 1.199 607 F HN -0.288 nan 8.300 nan 0.000 0.473 608 S N 1.982 117.901 115.700 0.366 0.000 2.638 608 S HA 0.435 4.905 4.470 -0.000 0.000 0.298 608 S C 0.728 175.521 174.600 0.321 0.000 1.111 608 S CA -0.827 57.533 58.200 0.267 0.000 1.027 608 S CB 1.163 64.461 63.200 0.164 0.000 1.064 608 S HN 0.660 nan 8.310 nan 0.000 0.525 609 L N 1.887 123.241 121.223 0.218 0.000 2.127 609 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 609 L C 2.497 179.499 176.870 0.220 0.000 1.089 609 L CA 1.540 56.498 54.840 0.196 0.000 0.757 609 L CB -1.545 40.546 42.059 0.054 0.000 0.899 609 L HN 0.782 nan 8.230 nan 0.000 0.434 610 S N -0.774 115.026 115.700 0.166 0.000 2.414 610 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 610 S C 2.061 176.756 174.600 0.158 0.000 1.022 610 S CA 0.497 58.776 58.200 0.132 0.000 0.958 610 S CB 0.162 63.409 63.200 0.079 0.000 0.797 610 S HN 0.186 nan 8.310 nan 0.000 0.493 611 V N 0.537 120.576 119.914 0.208 0.000 2.358 611 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 611 V C 1.907 178.134 176.094 0.221 0.000 1.047 611 V CA 1.658 64.088 62.300 0.216 0.000 1.035 611 V CB -0.725 31.265 31.823 0.280 0.000 0.658 611 V HN 0.552 nan 8.190 nan 0.000 0.452 612 Y N 0.751 121.148 120.300 0.162 0.000 2.163 612 Y HA -0.251 4.299 4.550 -0.000 0.000 0.288 612 Y C 2.758 178.742 175.900 0.141 0.000 1.136 612 Y CA 2.130 60.296 58.100 0.110 0.000 1.147 612 Y CB -0.264 38.312 38.460 0.194 0.000 0.987 612 Y HN 0.202 nan 8.280 nan 0.000 0.509 613 Q N 0.060 120.030 119.800 0.284 0.000 2.152 613 Q HA -0.308 4.032 4.340 -0.000 0.000 0.206 613 Q C 2.164 178.221 176.000 0.096 0.000 0.985 613 Q CA 2.160 58.072 55.803 0.182 0.000 0.863 613 Q CB -0.135 28.702 28.738 0.165 0.000 0.904 613 Q HN 0.295 nan 8.270 nan 0.000 0.422 614 K N 0.314 120.770 120.400 0.094 0.000 2.002 614 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 614 K C 1.830 178.518 176.600 0.146 0.000 1.048 614 K CA 1.730 58.092 56.287 0.124 0.000 0.930 614 K CB -0.199 32.367 32.500 0.109 0.000 0.714 614 K HN 0.172 nan 8.250 nan 0.000 0.438 615 M N 0.436 120.048 119.600 0.019 0.000 2.073 615 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 615 M C 2.090 178.366 176.300 -0.040 0.000 1.070 615 M CA 1.965 57.244 55.300 -0.034 0.000 1.103 615 M CB -0.427 32.070 32.600 -0.172 0.000 1.321 615 M HN 0.073 nan 8.290 nan 0.000 0.405 616 K N -0.673 119.651 120.400 -0.126 0.000 2.442 616 K HA -0.152 4.168 4.320 -0.000 0.000 0.198 616 K C 1.609 178.250 176.600 0.069 0.000 1.044 616 K CA 0.934 57.201 56.287 -0.033 0.000 0.948 616 K CB -0.147 32.353 32.500 0.000 0.000 0.762 616 K HN 0.226 nan 8.250 nan 0.000 0.472 617 F N 1.771 121.700 119.950 -0.036 0.000 2.220 617 F HA -0.008 4.519 4.527 -0.000 0.000 0.290 617 F C 1.562 177.355 175.800 -0.011 0.000 1.080 617 F CA 0.879 58.865 58.000 -0.022 0.000 1.318 617 F CB -0.066 38.930 39.000 -0.007 0.000 1.063 617 F HN -0.032 nan 8.300 nan 0.000 0.498 618 N N 0.720 119.390 118.700 -0.052 0.000 2.223 618 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 618 N C 2.041 177.494 175.510 -0.096 0.000 1.016 618 N CA 1.635 54.616 53.050 -0.115 0.000 0.863 618 N CB -0.750 37.771 38.487 0.056 0.000 0.983 618 N HN 0.266 nan 8.380 nan 0.000 0.429 619 V N 1.518 121.419 119.914 -0.022 0.000 2.427 619 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 619 V C 2.473 178.583 176.094 0.027 0.000 1.051 619 V CA 1.703 64.048 62.300 0.075 0.000 1.048 619 V CB -0.934 30.946 31.823 0.095 0.000 0.666 619 V HN 0.294 nan 8.190 nan 0.000 0.456 620 A N -0.555 122.134 122.820 -0.218 0.000 1.930 620 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 620 A C 2.146 179.468 177.584 -0.437 0.000 1.175 620 A CA 1.652 53.383 52.037 -0.511 0.000 0.627 620 A CB -0.387 18.343 19.000 -0.448 0.000 0.815 620 A HN 0.400 nan 8.150 nan 0.000 0.443 621 M N -1.632 117.717 119.600 -0.419 0.000 2.492 621 M HA 0.104 4.584 4.480 -0.000 0.000 0.262 621 M C 1.575 177.807 176.300 -0.113 0.000 1.090 621 M CA 1.028 56.133 55.300 -0.325 0.000 1.110 621 M CB -1.074 31.242 32.600 -0.472 0.000 1.407 621 M HN 0.841 nan 8.290 nan 0.000 0.470 622 G N 0.966 109.760 108.800 -0.010 0.000 2.144 622 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 622 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 622 G C 0.259 175.209 174.900 0.084 0.000 0.988 622 G CA 0.026 45.208 45.100 0.137 0.000 0.659 622 G HN 0.443 nan 8.290 nan 0.000 0.522 623 I N 0.570 121.154 120.570 0.023 0.000 3.502 623 I HA 0.617 4.786 4.170 -0.000 0.000 0.302 623 I C 1.532 177.691 176.117 0.071 0.000 1.170 623 I CA -0.696 60.624 61.300 0.032 0.000 0.953 623 I CB 0.481 38.486 38.000 0.008 0.000 1.475 623 I HN 0.102 nan 8.210 nan 0.000 0.657 624 G N 0.248 109.095 108.800 0.078 0.000 2.442 624 G HA2 0.322 4.282 3.960 -0.000 0.000 0.249 624 G HA3 0.322 4.282 3.960 -0.000 0.000 0.249 624 G C 0.869 175.842 174.900 0.122 0.000 1.263 624 G CA -0.546 44.618 45.100 0.106 0.000 0.846 624 G HN 0.457 nan 8.290 nan 0.000 0.555 625 V N 2.610 122.612 119.914 0.147 0.000 2.453 625 V HA -0.128 3.992 4.120 -0.000 0.000 0.252 625 V C 1.647 177.835 176.094 0.157 0.000 1.068 625 V CA 1.297 63.687 62.300 0.151 0.000 1.070 625 V CB -1.124 30.798 31.823 0.165 0.000 0.664 625 V HN 0.429 nan 8.190 nan 0.000 0.461 626 L N -0.894 120.437 121.223 0.181 0.000 2.544 626 L HA 0.503 4.843 4.340 -0.000 0.000 0.256 626 L C 0.366 177.302 176.870 0.110 0.000 1.097 626 L CA -0.546 54.378 54.840 0.140 0.000 0.812 626 L CB 0.349 42.477 42.059 0.115 0.000 1.440 626 L HN 0.153 nan 8.230 nan 0.000 0.496 627 D N 0.000 120.454 120.400 0.090 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 54.046 54.000 0.077 0.000 0.868 627 D CB 0.000 40.839 40.800 0.065 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683