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 3klz_1_B DATA FIRST_RESID 23 DATA SEQUENCE EGKAKKAAYK SFLLAISAGI QIGIAFVFYT VVTTGAHDMP YGVTKLLGGL DATA SEQUENCE AFSLGLILVV ITGGELFTSS VLILVAKASG KISWKELVRN WTVVYFGNLC DATA SEQUENCE GSIILVFIML ATRQFMEDGG QLGLNAMAIS QHKLHHTFLQ AFALGLMCNI DATA SEQUENCE LVCLAVWMTF SARSLTDKVM VLILPVAMFV SSGFEHCIAN MFQVPMAIGI DATA SEQUENCE KYFAPESFWA MTGANIAQYA DLNFVNFIVN NLIPVTLGNI VGGGVFVGMW DATA SEQUENCE YWLIYL 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.623 176.600 0.038 0.000 1.382 23 E CA 0.000 56.417 56.400 0.028 0.000 0.976 23 E CB 0.000 29.714 29.700 0.023 0.000 0.812 24 G N 3.194 112.022 108.800 0.047 0.000 3.270 24 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.207 24 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.207 24 G C 0.874 175.814 174.900 0.066 0.000 1.249 24 G CA 0.928 46.069 45.100 0.068 0.000 1.214 24 G HN 0.414 nan 8.290 nan 0.000 0.502 25 K N -1.261 119.171 120.400 0.053 0.000 2.365 25 K HA 0.469 4.789 4.320 -0.000 0.000 0.195 25 K C 2.106 178.739 176.600 0.054 0.000 1.079 25 K CA 0.761 57.079 56.287 0.051 0.000 0.979 25 K CB 0.201 32.723 32.500 0.037 0.000 0.929 25 K HN 0.037 nan 8.250 nan 0.000 0.523 26 A N 0.511 123.360 122.820 0.047 0.000 2.267 26 A HA 0.146 4.466 4.320 -0.000 0.000 0.213 26 A C 1.746 179.356 177.584 0.044 0.000 1.192 26 A CA 0.340 52.402 52.037 0.040 0.000 0.851 26 A CB -0.053 18.963 19.000 0.026 0.000 0.881 26 A HN 0.188 nan 8.150 nan 0.000 0.494 27 K N 0.773 121.213 120.400 0.067 0.000 2.137 27 K HA 0.082 4.402 4.320 -0.000 0.000 0.202 27 K C 1.700 178.420 176.600 0.199 0.000 1.052 27 K CA 1.447 57.791 56.287 0.095 0.000 0.961 27 K CB -0.133 32.445 32.500 0.130 0.000 0.741 27 K HN 0.364 nan 8.250 nan 0.000 0.452 28 K N -0.317 120.193 120.400 0.182 0.000 2.155 28 K HA 0.053 4.373 4.320 -0.000 0.000 0.203 28 K C 2.004 178.713 176.600 0.181 0.000 1.052 28 K CA 0.951 57.363 56.287 0.208 0.000 0.948 28 K CB -0.027 32.548 32.500 0.124 0.000 0.728 28 K HN 0.168 nan 8.250 nan 0.000 0.448 29 A N 1.572 124.464 122.820 0.120 0.000 1.930 29 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 29 A C 2.343 179.991 177.584 0.107 0.000 1.175 29 A CA 1.617 53.714 52.037 0.100 0.000 0.627 29 A CB -0.466 18.575 19.000 0.069 0.000 0.815 29 A HN 0.296 nan 8.150 nan 0.000 0.443 30 A N -1.215 121.649 122.820 0.074 0.000 1.873 30 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 30 A C 2.097 179.732 177.584 0.085 0.000 1.186 30 A CA 1.454 53.510 52.037 0.030 0.000 0.616 30 A CB -0.889 18.054 19.000 -0.096 0.000 0.823 30 A HN 0.581 nan 8.150 nan 0.000 0.442 31 Y N -0.007 120.365 120.300 0.121 0.000 2.097 31 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 31 Y C 2.566 178.585 175.900 0.197 0.000 1.152 31 Y CA 2.086 60.283 58.100 0.163 0.000 1.136 31 Y CB -0.111 38.416 38.460 0.111 0.000 0.975 31 Y HN 0.297 nan 8.280 nan 0.000 0.498 32 K N -0.323 120.260 120.400 0.304 0.000 2.074 32 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 32 K C 2.490 179.199 176.600 0.182 0.000 1.048 32 K CA 1.761 58.167 56.287 0.198 0.000 0.926 32 K CB -0.404 32.181 32.500 0.142 0.000 0.713 32 K HN 0.174 nan 8.250 nan 0.000 0.444 33 S N -0.206 115.610 115.700 0.192 0.000 2.368 33 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 33 S C 1.678 176.413 174.600 0.225 0.000 1.030 33 S CA 1.104 59.413 58.200 0.182 0.000 0.999 33 S CB -0.462 62.844 63.200 0.177 0.000 0.844 33 S HN 0.452 nan 8.310 nan 0.000 0.459 34 F N 2.249 122.269 119.950 0.116 0.000 2.069 34 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 34 F C 1.869 177.726 175.800 0.094 0.000 1.113 34 F CA 1.522 59.592 58.000 0.116 0.000 1.214 34 F CB -0.628 38.453 39.000 0.136 0.000 0.978 34 F HN 0.184 nan 8.300 nan 0.000 0.474 35 L N -0.339 120.939 121.223 0.092 0.000 2.042 35 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 35 L C 2.446 179.273 176.870 -0.071 0.000 1.076 35 L CA 1.302 56.120 54.840 -0.036 0.000 0.749 35 L CB -0.740 41.366 42.059 0.078 0.000 0.893 35 L HN 0.221 nan 8.230 nan 0.000 0.432 36 L N -0.897 120.326 121.223 -0.000 0.000 2.376 36 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 36 L C 2.651 179.509 176.870 -0.020 0.000 1.133 36 L CA 0.594 55.434 54.840 0.001 0.000 0.816 36 L CB -0.495 41.588 42.059 0.041 0.000 0.933 36 L HN 0.208 nan 8.230 nan 0.000 0.449 37 A N 0.135 122.928 122.820 -0.044 0.000 1.935 37 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 37 A C 2.175 179.668 177.584 -0.152 0.000 1.178 37 A CA 0.746 52.753 52.037 -0.050 0.000 0.640 37 A CB -0.346 18.660 19.000 0.010 0.000 0.825 37 A HN 0.283 nan 8.150 nan 0.000 0.447 38 I N -0.324 120.071 120.570 -0.291 0.000 2.208 38 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 38 I C 2.868 178.887 176.117 -0.164 0.000 1.097 38 I CA 1.629 62.749 61.300 -0.300 0.000 1.363 38 I CB -0.159 37.606 38.000 -0.392 0.000 1.051 38 I HN 0.457 nan 8.210 nan 0.000 0.413 39 S N 0.663 116.288 115.700 -0.125 0.000 2.357 39 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 39 S C 2.252 176.809 174.600 -0.072 0.000 1.031 39 S CA 1.204 59.353 58.200 -0.085 0.000 0.982 39 S CB -0.199 62.964 63.200 -0.061 0.000 0.853 39 S HN 0.430 nan 8.310 nan 0.000 0.458 40 A N 0.933 123.722 122.820 -0.053 0.000 1.940 40 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 40 A C 2.360 179.915 177.584 -0.048 0.000 1.176 40 A CA 1.844 53.859 52.037 -0.036 0.000 0.631 40 A CB -1.717 17.286 19.000 0.005 0.000 0.814 40 A HN 0.666 nan 8.150 nan 0.000 0.446 41 G N -0.041 108.727 108.800 -0.053 0.000 2.418 41 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 41 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 41 G C 1.521 176.379 174.900 -0.071 0.000 1.158 41 G CA 1.123 46.196 45.100 -0.045 0.000 0.771 41 G HN 0.486 nan 8.290 nan 0.000 0.545 42 I N 0.168 120.682 120.570 -0.095 0.000 2.226 42 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 42 I C 3.041 179.057 176.117 -0.169 0.000 1.100 42 I CA 1.201 62.424 61.300 -0.128 0.000 1.374 42 I CB -0.223 37.714 38.000 -0.105 0.000 1.057 42 I HN 0.221 nan 8.210 nan 0.000 0.413 43 Q N 0.252 119.970 119.800 -0.137 0.000 2.079 43 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 43 Q C 2.320 178.197 176.000 -0.205 0.000 0.974 43 Q CA 1.297 57.009 55.803 -0.152 0.000 0.840 43 Q CB 0.020 28.693 28.738 -0.107 0.000 0.898 43 Q HN 0.416 nan 8.270 nan 0.000 0.430 44 I N 0.323 120.786 120.570 -0.178 0.000 2.286 44 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 44 I C 2.276 178.239 176.117 -0.256 0.000 1.115 44 I CA 1.552 62.719 61.300 -0.221 0.000 1.392 44 I CB -1.592 36.335 38.000 -0.123 0.000 1.065 44 I HN 0.279 nan 8.210 nan 0.000 0.418 45 G N 0.988 109.633 108.800 -0.258 0.000 2.422 45 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 45 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 45 G C 1.847 176.345 174.900 -0.670 0.000 1.146 45 G CA 0.322 45.082 45.100 -0.567 0.000 0.769 45 G HN 0.331 nan 8.290 nan 0.000 0.547 46 I N 1.248 121.550 120.570 -0.447 0.000 2.286 46 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 46 I C 3.255 179.225 176.117 -0.245 0.000 1.115 46 I CA 0.870 61.981 61.300 -0.316 0.000 1.392 46 I CB -0.114 37.740 38.000 -0.244 0.000 1.065 46 I HN 0.256 nan 8.210 nan 0.000 0.418 47 A N 0.558 123.130 122.820 -0.414 0.000 1.877 47 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 47 A C 2.123 179.401 177.584 -0.510 0.000 1.186 47 A CA 1.571 53.195 52.037 -0.689 0.000 0.620 47 A CB -0.926 17.122 19.000 -1.588 0.000 0.822 47 A HN 0.332 nan 8.150 nan 0.000 0.443 48 F N 0.082 119.830 119.950 -0.336 0.000 2.171 48 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 48 F C 2.488 178.439 175.800 0.251 0.000 1.090 48 F CA 1.116 59.216 58.000 0.166 0.000 1.293 48 F CB -0.513 38.705 39.000 0.363 0.000 1.013 48 F HN 0.028 nan 8.300 nan 0.000 0.486 49 V N -0.559 119.534 119.914 0.298 0.000 2.332 49 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 49 V C 2.283 178.564 176.094 0.311 0.000 1.055 49 V CA 1.703 64.165 62.300 0.269 0.000 1.038 49 V CB -0.846 31.021 31.823 0.073 0.000 0.651 49 V HN 0.245 nan 8.190 nan 0.000 0.450 50 F N 0.268 120.250 119.950 0.054 0.000 2.075 50 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 50 F C 2.425 178.288 175.800 0.104 0.000 1.113 50 F CA 1.707 59.725 58.000 0.030 0.000 1.218 50 F CB -1.153 37.816 39.000 -0.051 0.000 0.984 50 F HN 0.303 nan 8.300 nan 0.000 0.472 51 Y N 1.001 121.375 120.300 0.122 0.000 2.151 51 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 51 Y C 2.428 178.414 175.900 0.145 0.000 1.166 51 Y CA 2.720 60.865 58.100 0.076 0.000 1.163 51 Y CB -0.864 37.724 38.460 0.214 0.000 0.974 51 Y HN 0.060 nan 8.280 nan 0.000 0.511 52 T N -0.445 114.357 114.554 0.414 0.000 2.777 52 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 52 T C 2.076 176.848 174.700 0.120 0.000 1.040 52 T CA 1.498 63.769 62.100 0.285 0.000 1.141 52 T CB -0.746 68.323 68.868 0.336 0.000 0.868 52 T HN 0.202 nan 8.240 nan 0.000 0.444 53 V N 1.284 121.289 119.914 0.151 0.000 2.252 53 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 53 V C 2.656 178.767 176.094 0.029 0.000 1.056 53 V CA 1.585 63.951 62.300 0.110 0.000 1.022 53 V CB -0.737 31.192 31.823 0.177 0.000 0.641 53 V HN 0.296 nan 8.190 nan 0.000 0.445 54 V N 0.700 120.596 119.914 -0.030 0.000 2.407 54 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 54 V C 2.481 178.460 176.094 -0.191 0.000 1.055 54 V CA 2.465 64.683 62.300 -0.135 0.000 1.049 54 V CB -0.834 30.819 31.823 -0.284 0.000 0.662 54 V HN 0.855 nan 8.190 nan 0.000 0.455 55 T N -3.902 110.491 114.554 -0.269 0.000 3.107 55 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 55 T C 0.759 175.395 174.700 -0.106 0.000 1.096 55 T CA 0.149 62.093 62.100 -0.260 0.000 1.012 55 T CB -0.389 68.214 68.868 -0.441 0.000 0.977 55 T HN 0.353 nan 8.240 nan 0.000 0.527 56 T N 2.405 116.930 114.554 -0.049 0.000 2.870 56 T HA 0.468 4.818 4.350 -0.000 0.000 0.300 56 T C 1.345 176.057 174.700 0.020 0.000 0.989 56 T CA 0.618 62.722 62.100 0.007 0.000 1.139 56 T CB 0.415 69.301 68.868 0.030 0.000 0.920 56 T HN 0.692 nan 8.240 nan 0.000 0.537 57 G N 2.284 111.121 108.800 0.062 0.000 2.143 57 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.248 57 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.248 57 G C 0.716 175.698 174.900 0.138 0.000 0.991 57 G CA 0.101 45.280 45.100 0.131 0.000 0.689 57 G HN 1.052 nan 8.290 nan 0.000 0.522 58 A N 0.725 123.584 122.820 0.064 0.000 2.278 58 A HA 0.374 4.694 4.320 -0.000 0.000 0.212 58 A C 1.906 179.452 177.584 -0.065 0.000 1.213 58 A CA 1.250 53.263 52.037 -0.040 0.000 0.840 58 A CB -0.609 18.345 19.000 -0.077 0.000 0.866 58 A HN 1.058 nan 8.150 nan 0.000 0.489 59 H N 0.338 119.399 119.070 -0.016 0.000 2.325 59 H HA -0.203 4.353 4.556 -0.000 0.000 0.293 59 H C 0.346 175.676 175.328 0.003 0.000 1.106 59 H CA 1.808 57.856 56.048 -0.000 0.000 1.247 59 H CB -0.619 29.145 29.762 0.004 0.000 1.359 59 H HN 0.391 nan 8.280 nan 0.000 0.488 60 D N 0.616 120.631 120.400 -0.642 0.000 2.347 60 D HA 0.089 4.729 4.640 -0.000 0.000 0.213 60 D C 1.014 177.199 176.300 -0.191 0.000 0.985 60 D CA 0.137 53.921 54.000 -0.360 0.000 0.879 60 D CB 0.092 40.628 40.800 -0.440 0.000 0.919 60 D HN 0.388 nan 8.370 nan 0.000 0.526 61 M N 0.965 120.460 119.600 -0.174 0.000 2.228 61 M HA 0.206 4.686 4.480 -0.000 0.000 0.326 61 M C -2.107 174.159 176.300 -0.055 0.000 1.122 61 M CA -1.441 53.795 55.300 -0.105 0.000 1.161 61 M CB 0.409 32.944 32.600 -0.108 0.000 1.437 61 M HN -0.336 nan 8.290 nan 0.000 0.465 62 P HA -0.053 nan 4.420 nan 0.000 0.268 62 P C -0.130 177.187 177.300 0.029 0.000 1.205 62 P CA 0.140 63.249 63.100 0.015 0.000 0.771 62 P CB 0.281 31.986 31.700 0.008 0.000 0.858 63 Y N 3.281 123.561 120.300 -0.034 0.000 2.040 63 Y HA -0.299 4.250 4.550 -0.000 0.000 0.275 63 Y C 2.372 178.250 175.900 -0.037 0.000 1.171 63 Y CA 2.750 60.831 58.100 -0.031 0.000 1.123 63 Y CB -1.003 37.444 38.460 -0.021 0.000 0.963 63 Y HN 0.484 nan 8.280 nan 0.000 0.493 64 G N -0.808 108.049 108.800 0.095 0.000 2.418 64 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 64 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 64 G C 1.679 176.514 174.900 -0.108 0.000 1.158 64 G CA 1.363 46.456 45.100 -0.010 0.000 0.771 64 G HN 0.401 nan 8.290 nan 0.000 0.545 65 V N 1.087 120.951 119.914 -0.083 0.000 2.343 65 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 65 V C 3.159 179.166 176.094 -0.145 0.000 1.051 65 V CA 2.333 64.576 62.300 -0.096 0.000 1.036 65 V CB -0.982 30.798 31.823 -0.072 0.000 0.654 65 V HN 0.395 nan 8.190 nan 0.000 0.451 66 T N -0.331 114.115 114.554 -0.179 0.000 2.684 66 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 66 T C 2.009 176.549 174.700 -0.266 0.000 1.036 66 T CA 1.253 63.219 62.100 -0.222 0.000 1.148 66 T CB -0.233 68.499 68.868 -0.227 0.000 0.863 66 T HN 0.312 nan 8.240 nan 0.000 0.436 67 K N 0.857 121.075 120.400 -0.303 0.000 2.057 67 K HA 0.027 4.347 4.320 -0.000 0.000 0.207 67 K C 2.282 178.781 176.600 -0.169 0.000 1.049 67 K CA 0.761 56.901 56.287 -0.245 0.000 0.931 67 K CB -0.900 31.403 32.500 -0.328 0.000 0.714 67 K HN 0.252 nan 8.250 nan 0.000 0.440 68 L N 1.555 122.679 121.223 -0.164 0.000 1.994 68 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 68 L C 2.189 178.971 176.870 -0.145 0.000 1.071 68 L CA 1.481 56.240 54.840 -0.135 0.000 0.745 68 L CB -0.649 41.346 42.059 -0.106 0.000 0.892 68 L HN 0.077 nan 8.230 nan 0.000 0.431 69 L N -0.580 120.544 121.223 -0.165 0.000 2.013 69 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 69 L C 2.536 179.260 176.870 -0.244 0.000 1.073 69 L CA 1.509 56.236 54.840 -0.189 0.000 0.753 69 L CB -1.535 40.411 42.059 -0.190 0.000 0.890 69 L HN 0.523 nan 8.230 nan 0.000 0.432 70 G N -0.508 108.121 108.800 -0.285 0.000 2.418 70 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 70 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 70 G C 1.561 176.463 174.900 0.004 0.000 1.158 70 G CA 0.757 45.659 45.100 -0.330 0.000 0.771 70 G HN 0.501 nan 8.290 nan 0.000 0.545 71 G N 0.828 109.602 108.800 -0.045 0.000 2.418 71 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 71 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 71 G C 1.818 176.652 174.900 -0.110 0.000 1.158 71 G CA 0.741 45.766 45.100 -0.126 0.000 0.771 71 G HN 0.419 nan 8.290 nan 0.000 0.545 72 L N 0.660 121.807 121.223 -0.127 0.000 2.017 72 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 72 L C 3.429 180.210 176.870 -0.148 0.000 1.073 72 L CA 1.131 55.902 54.840 -0.116 0.000 0.745 72 L CB -0.434 41.556 42.059 -0.115 0.000 0.894 72 L HN 0.309 nan 8.230 nan 0.000 0.432 73 A N -0.472 122.167 122.820 -0.302 0.000 1.933 73 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 73 A C 2.148 179.551 177.584 -0.302 0.000 1.175 73 A CA 1.389 53.040 52.037 -0.644 0.000 0.628 73 A CB -0.847 17.285 19.000 -1.446 0.000 0.814 73 A HN 0.400 nan 8.150 nan 0.000 0.444 74 F N 1.870 121.657 119.950 -0.270 0.000 2.333 74 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 74 F C 2.648 178.368 175.800 -0.134 0.000 1.083 74 F CA 1.505 59.390 58.000 -0.192 0.000 1.395 74 F CB -0.155 38.653 39.000 -0.320 0.000 1.056 74 F HN 0.343 nan 8.300 nan 0.000 0.529 75 S N 0.096 115.856 115.700 0.099 0.000 2.419 75 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 75 S C 2.084 176.706 174.600 0.036 0.000 1.019 75 S CA 1.143 59.389 58.200 0.077 0.000 0.982 75 S CB -1.103 62.118 63.200 0.035 0.000 0.789 75 S HN 0.429 nan 8.310 nan 0.000 0.490 76 L N 2.705 123.951 121.223 0.037 0.000 2.064 76 L HA -0.039 4.301 4.340 -0.000 0.000 0.216 76 L C 2.381 179.217 176.870 -0.056 0.000 1.077 76 L CA 2.165 57.021 54.840 0.027 0.000 0.766 76 L CB -1.405 40.727 42.059 0.121 0.000 0.890 76 L HN 0.396 nan 8.230 nan 0.000 0.435 77 G N -0.862 107.845 108.800 -0.155 0.000 2.421 77 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 77 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 77 G C 1.530 176.379 174.900 -0.086 0.000 1.171 77 G CA 0.858 45.835 45.100 -0.205 0.000 0.775 77 G HN 0.392 nan 8.290 nan 0.000 0.543 78 L N 0.825 122.042 121.223 -0.011 0.000 2.093 78 L HA 0.186 4.526 4.340 -0.000 0.000 0.208 78 L C 2.717 179.593 176.870 0.011 0.000 1.085 78 L CA 0.974 55.832 54.840 0.030 0.000 0.755 78 L CB -0.418 41.697 42.059 0.093 0.000 0.904 78 L HN 0.253 nan 8.230 nan 0.000 0.435 79 I N -1.187 119.386 120.570 0.006 0.000 2.163 79 I HA -0.373 3.797 4.170 -0.000 0.000 0.243 79 I C 2.349 178.460 176.117 -0.010 0.000 1.085 79 I CA 1.462 62.762 61.300 0.000 0.000 1.347 79 I CB -0.377 37.625 38.000 0.003 0.000 1.044 79 I HN 0.240 nan 8.210 nan 0.000 0.408 80 L N -0.177 121.030 121.223 -0.027 0.000 2.017 80 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 80 L C 2.618 179.474 176.870 -0.023 0.000 1.073 80 L CA 1.120 55.939 54.840 -0.035 0.000 0.745 80 L CB -0.674 41.349 42.059 -0.060 0.000 0.894 80 L HN 0.082 nan 8.230 nan 0.000 0.432 81 V N -0.652 119.250 119.914 -0.020 0.000 2.295 81 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 81 V C 2.398 178.501 176.094 0.014 0.000 1.049 81 V CA 1.649 63.947 62.300 -0.004 0.000 1.024 81 V CB -0.205 31.621 31.823 0.004 0.000 0.648 81 V HN 0.189 nan 8.190 nan 0.000 0.447 82 V N -0.392 119.532 119.914 0.017 0.000 2.307 82 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 82 V C 2.109 178.219 176.094 0.027 0.000 1.045 82 V CA 2.162 64.480 62.300 0.029 0.000 1.024 82 V CB -0.381 31.454 31.823 0.021 0.000 0.651 82 V HN 0.438 nan 8.190 nan 0.000 0.449 83 I N 0.738 121.316 120.570 0.012 0.000 2.406 83 I HA -0.145 4.025 4.170 -0.000 0.000 0.249 83 I C 2.403 178.523 176.117 0.006 0.000 1.122 83 I CA 1.831 63.136 61.300 0.009 0.000 1.431 83 I CB -0.442 37.558 38.000 0.000 0.000 1.087 83 I HN 0.482 nan 8.210 nan 0.000 0.424 84 T N -2.133 112.422 114.554 0.001 0.000 3.129 84 T HA 0.236 4.586 4.350 -0.000 0.000 0.251 84 T C 1.438 176.143 174.700 0.008 0.000 1.117 84 T CA 0.409 62.509 62.100 -0.001 0.000 1.034 84 T CB 0.285 69.146 68.868 -0.012 0.000 0.968 84 T HN 0.506 nan 8.240 nan 0.000 0.526 85 G N 0.709 109.520 108.800 0.019 0.000 2.160 85 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.244 85 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.244 85 G C 0.387 175.307 174.900 0.033 0.000 1.022 85 G CA -0.273 44.845 45.100 0.030 0.000 0.741 85 G HN 1.009 nan 8.290 nan 0.000 0.508 86 G N -0.660 108.156 108.800 0.025 0.000 2.594 86 G HA2 0.487 4.447 3.960 -0.000 0.000 0.243 86 G HA3 0.487 4.447 3.960 -0.000 0.000 0.243 86 G C -0.031 174.898 174.900 0.048 0.000 1.229 86 G CA -0.330 44.784 45.100 0.024 0.000 0.843 86 G HN 0.440 nan 8.290 nan 0.000 0.578 87 E N 0.251 120.486 120.200 0.057 0.000 2.035 87 E HA 0.190 4.540 4.350 -0.000 0.000 0.271 87 E C -0.888 175.776 176.600 0.106 0.000 0.953 87 E CA -0.610 55.845 56.400 0.091 0.000 0.777 87 E CB 1.531 31.299 29.700 0.113 0.000 1.104 87 E HN 0.155 nan 8.360 nan 0.000 0.408 88 L N 4.497 125.786 121.223 0.111 0.000 2.257 88 L HA 0.183 4.523 4.340 -0.000 0.000 0.290 88 L C 0.563 177.537 176.870 0.174 0.000 1.044 88 L CA -0.092 54.836 54.840 0.146 0.000 0.810 88 L CB 0.282 42.419 42.059 0.129 0.000 1.193 88 L HN 0.512 nan 8.230 nan 0.000 0.425 89 F N 2.873 122.866 119.950 0.072 0.000 2.063 89 F HA -0.399 4.128 4.527 -0.000 0.000 0.296 89 F C 2.257 177.997 175.800 -0.101 0.000 1.093 89 F CA 2.775 60.775 58.000 -0.001 0.000 1.229 89 F CB -0.488 38.542 39.000 0.049 0.000 0.971 89 F HN 0.727 nan 8.300 nan 0.000 0.491 90 T N -2.023 112.406 114.554 -0.209 0.000 2.708 90 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 90 T C 1.989 176.522 174.700 -0.279 0.000 1.037 90 T CA 1.738 63.598 62.100 -0.400 0.000 1.146 90 T CB -1.192 67.518 68.868 -0.264 0.000 0.865 90 T HN 0.437 nan 8.240 nan 0.000 0.435 91 S N 0.270 115.909 115.700 -0.103 0.000 2.634 91 S HA 0.248 4.718 4.470 -0.000 0.000 0.221 91 S C 1.881 176.495 174.600 0.024 0.000 0.952 91 S CA 0.157 58.327 58.200 -0.049 0.000 0.930 91 S CB -0.454 62.736 63.200 -0.015 0.000 0.780 91 S HN 0.416 nan 8.310 nan 0.000 0.498 92 S N 1.158 116.862 115.700 0.007 0.000 2.447 92 S HA 0.018 4.488 4.470 -0.000 0.000 0.233 92 S C 1.153 175.858 174.600 0.175 0.000 1.006 92 S CA 0.713 58.981 58.200 0.113 0.000 0.957 92 S CB -0.304 62.990 63.200 0.157 0.000 0.773 92 S HN 0.509 nan 8.310 nan 0.000 0.507 93 V N 4.630 124.639 119.914 0.158 0.000 3.297 93 V HA 0.073 4.193 4.120 -0.000 0.000 0.357 93 V C 0.711 176.902 176.094 0.162 0.000 1.238 93 V CA 0.307 62.724 62.300 0.194 0.000 1.454 93 V CB -0.855 31.092 31.823 0.206 0.000 1.159 93 V HN 0.484 nan 8.190 nan 0.000 0.435 94 L N -0.524 120.795 121.223 0.161 0.000 2.728 94 L HA 0.527 4.867 4.340 -0.000 0.000 0.238 94 L C 0.271 177.213 176.870 0.120 0.000 1.143 94 L CA 0.583 55.539 54.840 0.194 0.000 0.937 94 L CB -0.428 41.785 42.059 0.256 0.000 1.225 94 L HN 0.221 nan 8.230 nan 0.000 0.507 95 I N 1.194 121.796 120.570 0.053 0.000 2.411 95 I HA 0.321 4.491 4.170 -0.000 0.000 0.284 95 I C -0.056 176.005 176.117 -0.092 0.000 1.012 95 I CA -0.192 61.103 61.300 -0.007 0.000 1.119 95 I CB 2.323 40.309 38.000 -0.023 0.000 1.261 95 I HN 0.042 nan 8.210 nan 0.000 0.448 96 L N 5.360 126.536 121.223 -0.079 0.000 3.785 96 L HA 0.261 4.600 4.340 -0.000 0.000 0.203 96 L C 1.624 178.417 176.870 -0.129 0.000 1.234 96 L CA 0.839 55.584 54.840 -0.157 0.000 1.539 96 L CB -0.158 41.825 42.059 -0.126 0.000 1.841 96 L HN 0.363 nan 8.230 nan 0.000 0.835 97 V N 1.377 121.239 119.914 -0.088 0.000 2.220 97 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 97 V C 2.025 178.100 176.094 -0.031 0.000 1.056 97 V CA 2.715 64.977 62.300 -0.063 0.000 1.016 97 V CB -0.727 31.074 31.823 -0.037 0.000 0.639 97 V HN 0.873 nan 8.190 nan 0.000 0.446 98 A N -0.433 122.383 122.820 -0.008 0.000 5.554 98 A HA -0.418 3.902 4.320 -0.000 0.000 0.335 98 A C 0.973 178.559 177.584 0.003 0.000 1.745 98 A CA 2.042 54.080 52.037 0.000 0.000 0.758 98 A CB -1.519 17.472 19.000 -0.015 0.000 1.400 98 A HN 0.832 nan 8.150 nan 0.000 0.410 99 K N 0.337 120.737 120.400 0.001 0.000 2.432 99 K HA 0.496 4.816 4.320 -0.000 0.000 0.226 99 K C -0.041 176.562 176.600 0.005 0.000 1.057 99 K CA 0.731 57.021 56.287 0.006 0.000 1.034 99 K CB -0.329 32.176 32.500 0.009 0.000 1.561 99 K HN 2.381 nan 8.250 nan 0.000 0.492 100 A N 2.431 125.256 122.820 0.008 0.000 3.201 100 A HA -0.131 4.189 4.320 -0.000 0.000 0.268 100 A C 0.445 178.039 177.584 0.017 0.000 1.372 100 A CA 0.627 52.675 52.037 0.019 0.000 0.753 100 A CB -2.352 16.662 19.000 0.022 0.000 1.029 100 A HN 1.058 nan 8.150 nan 0.000 0.498 101 S N -1.939 113.756 115.700 -0.008 0.000 3.682 101 S HA 0.195 4.665 4.470 -0.000 0.000 0.354 101 S C 1.998 176.526 174.600 -0.121 0.000 1.034 101 S CA 2.027 60.179 58.200 -0.080 0.000 1.084 101 S CB -1.554 61.630 63.200 -0.025 0.000 0.903 101 S HN 3.056 nan 8.310 nan 0.000 0.470 102 G N 0.070 108.825 108.800 -0.076 0.000 2.176 102 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.252 102 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.252 102 G C 0.056 174.933 174.900 -0.038 0.000 1.024 102 G CA 0.663 45.725 45.100 -0.063 0.000 0.755 102 G HN 1.247 nan 8.290 nan 0.000 0.507 103 K N -1.989 118.400 120.400 -0.019 0.000 2.672 103 K HA -0.211 4.109 4.320 -0.000 0.000 0.595 103 K C 1.417 178.017 176.600 0.001 0.000 2.575 103 K CA 0.981 57.267 56.287 -0.002 0.000 1.990 103 K CB -0.989 31.511 32.500 0.001 0.000 2.751 103 K HN 1.215 nan 8.250 nan 0.000 0.150 104 I N -1.346 119.233 120.570 0.015 0.000 5.405 104 I HA -0.392 3.778 4.170 -0.000 0.000 0.184 104 I C 0.041 176.186 176.117 0.048 0.000 1.786 104 I CA 1.244 62.558 61.300 0.023 0.000 1.490 104 I CB -1.450 36.560 38.000 0.016 0.000 3.212 104 I HN 0.685 nan 8.210 nan 0.000 0.244 105 S N -0.445 115.290 115.700 0.058 0.000 3.310 105 S HA -0.225 4.245 4.470 -0.000 0.000 0.431 105 S C 0.341 175.098 174.600 0.262 0.000 0.807 105 S CA 1.065 59.349 58.200 0.140 0.000 1.358 105 S CB -1.030 62.239 63.200 0.115 0.000 1.027 105 S HN 0.635 nan 8.310 nan 0.000 0.666 106 W N -0.283 120.964 121.300 -0.090 0.000 0.780 106 W HA -0.358 4.301 4.660 -0.000 0.000 0.218 106 W C 1.474 177.941 176.519 -0.088 0.000 0.920 106 W CA 1.688 58.965 57.345 -0.112 0.000 0.350 106 W CB -1.467 27.930 29.460 -0.106 0.000 1.913 106 W HN 0.565 nan 8.180 nan 0.000 1.375 107 K N 0.445 120.943 120.400 0.164 0.000 2.616 107 K HA -0.130 4.190 4.320 -0.000 0.000 0.192 107 K C 1.516 178.138 176.600 0.037 0.000 1.031 107 K CA 1.063 57.401 56.287 0.084 0.000 1.004 107 K CB -0.087 32.450 32.500 0.062 0.000 0.810 107 K HN 0.187 nan 8.250 nan 0.000 0.497 108 E N -0.050 120.153 120.200 0.005 0.000 2.441 108 E HA -0.002 4.348 4.350 -0.000 0.000 0.212 108 E C 1.529 178.079 176.600 -0.083 0.000 0.840 108 E CA -0.036 56.350 56.400 -0.023 0.000 1.143 108 E CB 0.357 30.042 29.700 -0.024 0.000 1.153 108 E HN 0.135 nan 8.360 nan 0.000 0.539 109 L N 1.829 122.937 121.223 -0.191 0.000 1.961 109 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 109 L C 2.561 179.206 176.870 -0.374 0.000 1.075 109 L CA 2.108 56.701 54.840 -0.412 0.000 0.749 109 L CB -1.167 40.422 42.059 -0.783 0.000 0.890 109 L HN 0.101 nan 8.230 nan 0.000 0.433 110 V N -0.958 118.802 119.914 -0.256 0.000 2.343 110 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 110 V C 2.758 178.914 176.094 0.103 0.000 1.051 110 V CA 1.854 64.135 62.300 -0.033 0.000 1.036 110 V CB -1.148 30.735 31.823 0.101 0.000 0.654 110 V HN 0.502 nan 8.190 nan 0.000 0.451 111 R N 2.456 122.992 120.500 0.059 0.000 2.096 111 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 111 R C 2.099 178.473 176.300 0.124 0.000 1.139 111 R CA 2.633 58.780 56.100 0.077 0.000 0.952 111 R CB -1.481 28.843 30.300 0.041 0.000 0.854 111 R HN 0.739 nan 8.270 nan 0.000 0.436 112 N N -0.756 118.007 118.700 0.105 0.000 2.084 112 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 112 N C 1.352 177.079 175.510 0.363 0.000 1.030 112 N CA 1.669 54.824 53.050 0.175 0.000 0.849 112 N CB -0.398 38.150 38.487 0.102 0.000 1.012 112 N HN 0.286 nan 8.380 nan 0.000 0.423 113 W N 1.073 122.461 121.300 0.147 0.000 2.338 113 W HA -0.049 4.610 4.660 -0.000 0.000 0.304 113 W C 2.369 179.078 176.519 0.318 0.000 1.212 113 W CA 1.581 59.092 57.345 0.276 0.000 1.264 113 W CB -1.173 28.442 29.460 0.260 0.000 1.142 113 W HN 0.107 nan 8.180 nan 0.000 0.512 114 T N -0.171 114.644 114.554 0.436 0.000 2.821 114 T HA -0.131 4.218 4.350 -0.000 0.000 0.267 114 T C 2.012 176.928 174.700 0.361 0.000 1.046 114 T CA 1.550 63.837 62.100 0.310 0.000 1.139 114 T CB -0.696 68.287 68.868 0.191 0.000 0.871 114 T HN -0.120 nan 8.240 nan 0.000 0.454 115 V N 1.350 121.465 119.914 0.335 0.000 2.261 115 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 115 V C 2.692 179.058 176.094 0.453 0.000 1.047 115 V CA 1.372 63.898 62.300 0.377 0.000 1.015 115 V CB -0.755 31.233 31.823 0.275 0.000 0.642 115 V HN 0.305 nan 8.190 nan 0.000 0.446 116 V N -1.070 119.085 119.914 0.401 0.000 2.261 116 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 116 V C 2.192 178.487 176.094 0.335 0.000 1.047 116 V CA 2.512 65.025 62.300 0.355 0.000 1.015 116 V CB -0.837 31.216 31.823 0.382 0.000 0.642 116 V HN 0.591 nan 8.190 nan 0.000 0.446 117 Y N 0.074 120.501 120.300 0.212 0.000 2.081 117 Y HA -0.332 4.218 4.550 -0.000 0.000 0.280 117 Y C 2.322 178.298 175.900 0.127 0.000 1.163 117 Y CA 2.307 60.406 58.100 -0.002 0.000 1.135 117 Y CB -0.545 37.770 38.460 -0.242 0.000 0.970 117 Y HN 0.267 nan 8.280 nan 0.000 0.498 118 F N 0.344 120.436 119.950 0.236 0.000 2.186 118 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 118 F C 2.271 178.202 175.800 0.219 0.000 1.090 118 F CA 1.548 59.675 58.000 0.211 0.000 1.307 118 F CB -0.944 38.215 39.000 0.265 0.000 1.019 118 F HN 0.041 nan 8.300 nan 0.000 0.489 119 G N 0.329 109.206 108.800 0.128 0.000 2.421 119 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 119 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 119 G C 1.599 176.346 174.900 -0.254 0.000 1.171 119 G CA 0.923 45.862 45.100 -0.267 0.000 0.775 119 G HN 0.326 nan 8.290 nan 0.000 0.543 120 N N 0.343 118.978 118.700 -0.108 0.000 2.061 120 N HA -0.124 4.616 4.740 -0.000 0.000 0.193 120 N C 2.060 177.490 175.510 -0.133 0.000 1.030 120 N CA 1.181 54.171 53.050 -0.100 0.000 0.856 120 N CB -0.641 37.810 38.487 -0.061 0.000 1.023 120 N HN 0.283 nan 8.380 nan 0.000 0.424 121 L N 0.980 122.094 121.223 -0.180 0.000 1.989 121 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 121 L C 2.235 179.038 176.870 -0.112 0.000 1.071 121 L CA 1.656 56.423 54.840 -0.122 0.000 0.749 121 L CB -0.984 41.032 42.059 -0.071 0.000 0.890 121 L HN 0.190 nan 8.230 nan 0.000 0.431 122 C N 0.129 119.272 119.300 -0.261 0.000 2.398 122 C HA -0.132 4.328 4.460 -0.000 0.000 0.276 122 C C 2.796 177.714 174.990 -0.120 0.000 1.222 122 C CA 0.773 59.654 59.018 -0.228 0.000 1.746 122 C CB -2.089 25.419 27.740 -0.386 0.000 2.039 122 C HN 0.791 nan 8.230 nan 0.000 0.470 123 G N 0.156 108.863 108.800 -0.155 0.000 2.418 123 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 123 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 123 G C 1.790 176.682 174.900 -0.013 0.000 1.158 123 G CA 1.258 46.300 45.100 -0.097 0.000 0.771 123 G HN 0.562 nan 8.290 nan 0.000 0.545 124 S N 0.444 116.157 115.700 0.021 0.000 2.368 124 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 124 S C 2.248 176.962 174.600 0.190 0.000 1.030 124 S CA 0.812 59.092 58.200 0.134 0.000 0.999 124 S CB -0.118 63.173 63.200 0.151 0.000 0.844 124 S HN 0.230 nan 8.310 nan 0.000 0.459 125 I N 1.360 122.008 120.570 0.130 0.000 2.286 125 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 125 I C 2.113 178.384 176.117 0.257 0.000 1.104 125 I CA 0.908 62.305 61.300 0.162 0.000 1.397 125 I CB -1.202 36.909 38.000 0.186 0.000 1.072 125 I HN 0.255 nan 8.210 nan 0.000 0.417 126 I N 0.376 121.070 120.570 0.207 0.000 2.208 126 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 126 I C 2.497 178.733 176.117 0.197 0.000 1.097 126 I CA 1.225 62.648 61.300 0.206 0.000 1.363 126 I CB -0.251 37.797 38.000 0.081 0.000 1.051 126 I HN 0.182 nan 8.210 nan 0.000 0.413 127 L N -0.041 121.273 121.223 0.152 0.000 2.156 127 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 127 L C 2.312 179.348 176.870 0.276 0.000 1.095 127 L CA 1.524 56.445 54.840 0.135 0.000 0.770 127 L CB -0.290 41.760 42.059 -0.015 0.000 0.914 127 L HN -0.035 nan 8.230 nan 0.000 0.439 128 V N -0.579 119.512 119.914 0.295 0.000 2.343 128 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 128 V C 2.305 178.380 176.094 -0.031 0.000 1.051 128 V CA 2.070 64.431 62.300 0.102 0.000 1.036 128 V CB -0.768 30.947 31.823 -0.180 0.000 0.654 128 V HN 0.334 nan 8.190 nan 0.000 0.451 129 F N -0.220 119.796 119.950 0.110 0.000 2.134 129 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 129 F C 2.169 177.995 175.800 0.043 0.000 1.097 129 F CA 1.588 59.623 58.000 0.058 0.000 1.264 129 F CB -0.594 38.427 39.000 0.034 0.000 1.001 129 F HN 0.065 nan 8.300 nan 0.000 0.479 130 I N -0.953 119.751 120.570 0.223 0.000 2.252 130 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 130 I C 2.322 178.504 176.117 0.108 0.000 1.102 130 I CA 0.913 62.290 61.300 0.128 0.000 1.385 130 I CB -0.389 37.662 38.000 0.085 0.000 1.064 130 I HN 0.086 nan 8.210 nan 0.000 0.414 131 M N 0.166 119.849 119.600 0.139 0.000 2.229 131 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 131 M C 2.390 178.784 176.300 0.155 0.000 1.063 131 M CA 1.692 57.081 55.300 0.150 0.000 1.114 131 M CB -1.010 31.739 32.600 0.249 0.000 1.387 131 M HN 0.264 nan 8.290 nan 0.000 0.420 132 L N -0.446 120.865 121.223 0.146 0.000 2.093 132 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 132 L C 2.626 179.583 176.870 0.146 0.000 1.085 132 L CA 1.043 55.993 54.840 0.184 0.000 0.755 132 L CB -0.824 41.282 42.059 0.079 0.000 0.904 132 L HN 0.252 nan 8.230 nan 0.000 0.435 133 A N 0.015 122.882 122.820 0.078 0.000 1.972 133 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 133 A C 2.376 179.960 177.584 0.001 0.000 1.169 133 A CA 2.006 54.061 52.037 0.029 0.000 0.635 133 A CB -0.855 18.161 19.000 0.028 0.000 0.810 133 A HN 0.526 nan 8.150 nan 0.000 0.446 134 T N -3.611 110.946 114.554 0.006 0.000 3.035 134 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 134 T C 0.955 175.579 174.700 -0.126 0.000 1.109 134 T CA 0.734 62.809 62.100 -0.041 0.000 1.119 134 T CB -0.445 68.409 68.868 -0.023 0.000 0.900 134 T HN 0.590 nan 8.240 nan 0.000 0.503 135 R N 0.408 120.797 120.500 -0.185 0.000 3.758 135 R HA -0.255 4.085 4.340 -0.000 0.000 0.299 135 R C 1.375 177.280 176.300 -0.659 0.000 1.182 135 R CA 0.872 56.597 56.100 -0.625 0.000 0.809 135 R CB -2.165 27.834 30.300 -0.500 0.000 1.249 135 R HN 0.612 nan 8.270 nan 0.000 0.497 136 Q N 0.714 120.340 119.800 -0.290 0.000 2.197 136 Q HA -0.226 4.114 4.340 -0.000 0.000 0.207 136 Q C 1.744 177.668 176.000 -0.127 0.000 0.984 136 Q CA 2.234 57.946 55.803 -0.151 0.000 0.869 136 Q CB -0.154 28.577 28.738 -0.011 0.000 0.906 136 Q HN 0.660 nan 8.270 nan 0.000 0.426 137 F N -0.981 118.965 119.950 -0.008 0.000 2.287 137 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 137 F C 1.673 177.526 175.800 0.089 0.000 1.069 137 F CA 0.701 58.694 58.000 -0.012 0.000 1.372 137 F CB -0.591 38.316 39.000 -0.155 0.000 1.056 137 F HN 0.050 nan 8.300 nan 0.000 0.523 138 M N 0.300 119.716 119.600 -0.306 0.000 2.476 138 M HA 0.014 4.494 4.480 -0.000 0.000 0.262 138 M C 0.644 176.937 176.300 -0.011 0.000 1.079 138 M CA 0.600 55.866 55.300 -0.056 0.000 1.104 138 M CB -1.070 31.395 32.600 -0.225 0.000 1.409 138 M HN 0.107 nan 8.290 nan 0.000 0.467 139 E N 1.498 121.678 120.200 -0.033 0.000 2.459 139 E HA -0.093 4.257 4.350 -0.000 0.000 0.264 139 E C 0.234 176.835 176.600 0.002 0.000 1.055 139 E CA 0.437 56.827 56.400 -0.017 0.000 0.957 139 E CB 0.065 29.760 29.700 -0.008 0.000 0.952 139 E HN 0.194 nan 8.360 nan 0.000 0.448 140 D N 0.731 121.125 120.400 -0.010 0.000 2.689 140 D HA -0.192 4.448 4.640 -0.000 0.000 0.237 140 D C 0.591 176.871 176.300 -0.033 0.000 1.148 140 D CA 1.650 55.642 54.000 -0.013 0.000 0.656 140 D CB -1.280 39.521 40.800 0.001 0.000 1.050 140 D HN 0.794 nan 8.370 nan 0.000 0.426 141 G N -0.682 108.093 108.800 -0.043 0.000 2.258 141 G HA2 0.038 3.998 3.960 -0.000 0.000 0.274 141 G HA3 0.038 3.998 3.960 -0.000 0.000 0.274 141 G C 1.508 176.326 174.900 -0.137 0.000 1.021 141 G CA 0.925 45.981 45.100 -0.074 0.000 0.798 141 G HN 1.796 nan 8.290 nan 0.000 0.507 142 G N -1.929 106.819 108.800 -0.088 0.000 2.225 142 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 142 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 142 G C 1.201 176.034 174.900 -0.112 0.000 0.988 142 G CA 1.139 46.149 45.100 -0.150 0.000 0.625 142 G HN 0.825 nan 8.290 nan 0.000 0.527 143 Q N -0.095 119.655 119.800 -0.084 0.000 2.197 143 Q HA -0.019 4.321 4.340 -0.000 0.000 0.207 143 Q C 2.672 178.701 176.000 0.049 0.000 0.984 143 Q CA 1.598 57.383 55.803 -0.031 0.000 0.869 143 Q CB -0.229 28.492 28.738 -0.028 0.000 0.906 143 Q HN 0.738 nan 8.270 nan 0.000 0.426 144 L N -0.059 121.214 121.223 0.082 0.000 2.027 144 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 144 L C 2.153 179.120 176.870 0.161 0.000 1.074 144 L CA 1.716 56.623 54.840 0.110 0.000 0.745 144 L CB -0.730 41.388 42.059 0.099 0.000 0.898 144 L HN 0.260 nan 8.230 nan 0.000 0.433 145 G N -0.064 108.897 108.800 0.269 0.000 2.440 145 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 145 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 145 G C 1.560 176.584 174.900 0.207 0.000 1.154 145 G CA 1.069 46.346 45.100 0.295 0.000 0.767 145 G HN 0.379 nan 8.290 nan 0.000 0.552 146 L N 0.282 121.640 121.223 0.225 0.000 2.046 146 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 146 L C 2.746 179.690 176.870 0.124 0.000 1.077 146 L CA 1.398 56.324 54.840 0.143 0.000 0.747 146 L CB -0.437 41.668 42.059 0.077 0.000 0.896 146 L HN 0.252 nan 8.230 nan 0.000 0.432 147 N N 0.374 119.138 118.700 0.107 0.000 2.084 147 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 147 N C 1.788 177.361 175.510 0.106 0.000 1.030 147 N CA 1.652 54.766 53.050 0.106 0.000 0.849 147 N CB -0.080 38.463 38.487 0.093 0.000 1.012 147 N HN 0.264 nan 8.380 nan 0.000 0.423 148 A N 0.423 123.294 122.820 0.084 0.000 1.940 148 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 148 A C 2.314 179.879 177.584 -0.031 0.000 1.176 148 A CA 1.588 53.644 52.037 0.031 0.000 0.631 148 A CB -0.536 18.467 19.000 0.006 0.000 0.814 148 A HN 0.416 nan 8.150 nan 0.000 0.446 149 M N -0.934 118.649 119.600 -0.027 0.000 2.156 149 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 149 M C 2.553 178.923 176.300 0.117 0.000 1.067 149 M CA 1.156 56.437 55.300 -0.031 0.000 1.131 149 M CB -0.360 32.129 32.600 -0.185 0.000 1.368 149 M HN 0.455 nan 8.290 nan 0.000 0.416 150 A N 0.783 123.709 122.820 0.177 0.000 1.940 150 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 150 A C 2.060 179.737 177.584 0.156 0.000 1.176 150 A CA 1.528 53.678 52.037 0.188 0.000 0.631 150 A CB -0.921 18.179 19.000 0.167 0.000 0.814 150 A HN 0.444 nan 8.150 nan 0.000 0.446 151 I N -0.337 120.307 120.570 0.122 0.000 2.226 151 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 151 I C 2.605 178.766 176.117 0.073 0.000 1.100 151 I CA 1.517 62.893 61.300 0.127 0.000 1.374 151 I CB -0.120 37.962 38.000 0.138 0.000 1.057 151 I HN 0.228 nan 8.210 nan 0.000 0.413 152 S N -0.184 115.501 115.700 -0.025 0.000 2.387 152 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 152 S C 1.912 176.496 174.600 -0.028 0.000 1.026 152 S CA 0.886 59.026 58.200 -0.099 0.000 0.972 152 S CB -0.179 62.887 63.200 -0.223 0.000 0.814 152 S HN 0.441 nan 8.310 nan 0.000 0.477 153 Q N 0.374 120.210 119.800 0.059 0.000 2.084 153 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 153 Q C 1.962 178.048 176.000 0.144 0.000 0.978 153 Q CA 1.263 57.132 55.803 0.111 0.000 0.844 153 Q CB -0.292 28.565 28.738 0.199 0.000 0.898 153 Q HN 0.644 nan 8.270 nan 0.000 0.426 154 H N 0.735 119.854 119.070 0.081 0.000 2.545 154 H HA -0.025 4.531 4.556 -0.000 0.000 0.282 154 H C 1.022 176.334 175.328 -0.026 0.000 1.020 154 H CA 0.850 56.951 56.048 0.089 0.000 1.243 154 H CB 0.428 30.264 29.762 0.123 0.000 1.377 154 H HN 0.124 nan 8.280 nan 0.000 0.581 155 K N 0.263 120.610 120.400 -0.088 0.000 2.379 155 K HA 0.112 4.432 4.320 -0.000 0.000 0.194 155 K C 1.209 177.586 176.600 -0.372 0.000 1.031 155 K CA 0.041 56.226 56.287 -0.170 0.000 1.037 155 K CB 0.695 33.218 32.500 0.038 0.000 0.824 155 K HN 0.271 nan 8.250 nan 0.000 0.516 156 L N 0.714 121.688 121.223 -0.416 0.000 2.818 156 L HA 0.139 4.479 4.340 -0.000 0.000 0.243 156 L C 0.355 176.734 176.870 -0.818 0.000 1.185 156 L CA 0.025 54.555 54.840 -0.517 0.000 0.988 156 L CB 0.093 41.861 42.059 -0.485 0.000 1.292 156 L HN 0.219 nan 8.230 nan 0.000 0.519 157 H N -1.780 117.095 119.070 -0.325 0.000 2.637 157 H HA 0.280 4.836 4.556 -0.000 0.000 0.245 157 H C -0.102 175.130 175.328 -0.161 0.000 1.190 157 H CA -0.412 55.523 56.048 -0.188 0.000 0.934 157 H CB 0.366 30.054 29.762 -0.123 0.000 1.950 157 H HN 0.190 nan 8.280 nan 0.000 0.614 158 H N 1.585 120.671 119.070 0.028 0.000 2.615 158 H HA 0.095 4.651 4.556 -0.000 0.000 0.363 158 H C 1.141 176.508 175.328 0.065 0.000 1.148 158 H CA 0.050 56.119 56.048 0.034 0.000 1.401 158 H CB 0.990 30.756 29.762 0.007 0.000 1.461 158 H HN 0.226 nan 8.280 nan 0.000 0.588 159 T N -1.317 113.367 114.554 0.216 0.000 2.802 159 T HA -0.035 4.315 4.350 -0.000 0.000 0.305 159 T C 1.438 176.269 174.700 0.218 0.000 1.053 159 T CA -0.542 61.673 62.100 0.192 0.000 1.058 159 T CB 0.488 69.453 68.868 0.162 0.000 0.988 159 T HN 0.462 nan 8.240 nan 0.000 0.539 160 F N 1.373 121.378 119.950 0.092 0.000 2.091 160 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 160 F C 2.033 177.901 175.800 0.114 0.000 1.103 160 F CA 1.737 59.791 58.000 0.089 0.000 1.228 160 F CB -0.498 38.527 39.000 0.042 0.000 0.984 160 F HN 0.536 nan 8.300 nan 0.000 0.477 161 L N 0.525 121.958 121.223 0.350 0.000 2.083 161 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 161 L C 2.438 179.427 176.870 0.198 0.000 1.083 161 L CA 2.171 57.172 54.840 0.269 0.000 0.752 161 L CB -1.223 40.946 42.059 0.183 0.000 0.899 161 L HN 0.435 nan 8.230 nan 0.000 0.433 162 Q N -0.597 119.279 119.800 0.127 0.000 2.050 162 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 162 Q C 2.145 178.097 176.000 -0.081 0.000 0.980 162 Q CA 1.919 57.744 55.803 0.037 0.000 0.840 162 Q CB -0.266 28.505 28.738 0.055 0.000 0.898 162 Q HN 0.623 nan 8.270 nan 0.000 0.424 163 A N 0.413 123.191 122.820 -0.070 0.000 1.902 163 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 163 A C 1.894 179.402 177.584 -0.127 0.000 1.181 163 A CA 1.335 53.292 52.037 -0.134 0.000 0.623 163 A CB -1.071 17.913 19.000 -0.028 0.000 0.818 163 A HN 0.646 nan 8.150 nan 0.000 0.443 164 F N 0.997 120.797 119.950 -0.251 0.000 2.069 164 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 164 F C 2.535 178.253 175.800 -0.137 0.000 1.113 164 F CA 1.836 59.716 58.000 -0.200 0.000 1.214 164 F CB -0.373 38.551 39.000 -0.127 0.000 0.978 164 F HN 0.248 nan 8.300 nan 0.000 0.474 165 A N 0.481 123.262 122.820 -0.066 0.000 1.933 165 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 165 A C 2.248 179.649 177.584 -0.305 0.000 1.175 165 A CA 1.663 53.591 52.037 -0.183 0.000 0.628 165 A CB -1.154 17.843 19.000 -0.005 0.000 0.814 165 A HN 0.538 nan 8.150 nan 0.000 0.444 166 L N -0.751 120.330 121.223 -0.237 0.000 2.017 166 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 166 L C 2.860 179.571 176.870 -0.266 0.000 1.073 166 L CA 1.209 55.926 54.840 -0.206 0.000 0.745 166 L CB -0.797 41.179 42.059 -0.138 0.000 0.894 166 L HN 0.483 nan 8.230 nan 0.000 0.432 167 G N -0.029 108.603 108.800 -0.281 0.000 2.418 167 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 167 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 167 G C 1.549 176.200 174.900 -0.415 0.000 1.158 167 G CA 0.810 45.729 45.100 -0.302 0.000 0.771 167 G HN 0.212 nan 8.290 nan 0.000 0.545 168 L N 0.393 121.289 121.223 -0.545 0.000 1.989 168 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 168 L C 2.670 179.271 176.870 -0.448 0.000 1.071 168 L CA 1.819 56.350 54.840 -0.516 0.000 0.749 168 L CB -0.500 41.207 42.059 -0.588 0.000 0.890 168 L HN 0.092 nan 8.230 nan 0.000 0.431 169 M N -0.936 118.319 119.600 -0.575 0.000 2.149 169 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 169 M C 2.622 178.545 176.300 -0.629 0.000 1.064 169 M CA 1.820 56.644 55.300 -0.793 0.000 1.102 169 M CB -2.099 29.503 32.600 -1.662 0.000 1.369 169 M HN 0.660 nan 8.290 nan 0.000 0.408 170 C N 1.143 120.146 119.300 -0.496 0.000 2.413 170 C HA -0.197 4.262 4.460 -0.000 0.000 0.278 170 C C 2.593 177.282 174.990 -0.502 0.000 1.224 170 C CA 1.700 60.464 59.018 -0.424 0.000 1.732 170 C CB -1.211 26.289 27.740 -0.399 0.000 2.050 170 C HN 0.583 nan 8.230 nan 0.000 0.463 171 N N 0.444 118.889 118.700 -0.424 0.000 2.381 171 N HA 0.022 4.762 4.740 -0.000 0.000 0.182 171 N C 1.547 176.873 175.510 -0.306 0.000 1.025 171 N CA 1.072 53.901 53.050 -0.368 0.000 0.888 171 N CB -0.464 37.821 38.487 -0.337 0.000 0.965 171 N HN 0.658 nan 8.380 nan 0.000 0.438 172 I N -0.177 120.237 120.570 -0.261 0.000 2.179 172 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 172 I C 1.783 177.802 176.117 -0.164 0.000 1.088 172 I CA 0.740 61.934 61.300 -0.177 0.000 1.357 172 I CB -0.203 37.719 38.000 -0.129 0.000 1.051 172 I HN 0.182 nan 8.210 nan 0.000 0.409 173 L N 0.249 121.396 121.223 -0.126 0.000 2.017 173 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 173 L C 2.636 179.450 176.870 -0.094 0.000 1.073 173 L CA 1.659 56.481 54.840 -0.030 0.000 0.745 173 L CB -1.099 41.048 42.059 0.146 0.000 0.894 173 L HN 0.124 nan 8.230 nan 0.000 0.432 174 V N -0.912 118.881 119.914 -0.201 0.000 2.343 174 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 174 V C 2.722 178.671 176.094 -0.241 0.000 1.051 174 V CA 1.607 63.806 62.300 -0.169 0.000 1.036 174 V CB -0.466 31.248 31.823 -0.182 0.000 0.654 174 V HN 0.489 nan 8.190 nan 0.000 0.451 175 C N -0.424 118.634 119.300 -0.403 0.000 2.429 175 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 175 C C 2.656 177.203 174.990 -0.739 0.000 1.262 175 C CA 0.793 59.374 59.018 -0.727 0.000 1.733 175 C CB -1.095 25.926 27.740 -1.199 0.000 2.010 175 C HN 0.523 nan 8.230 nan 0.000 0.483 176 L N 0.939 121.880 121.223 -0.470 0.000 2.042 176 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 176 L C 2.844 179.677 176.870 -0.061 0.000 1.076 176 L CA 1.749 56.510 54.840 -0.132 0.000 0.749 176 L CB -0.701 41.358 42.059 -0.001 0.000 0.893 176 L HN 0.382 nan 8.230 nan 0.000 0.432 177 A N -0.546 122.215 122.820 -0.098 0.000 1.855 177 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 177 A C 2.299 179.798 177.584 -0.141 0.000 1.191 177 A CA 1.721 53.718 52.037 -0.066 0.000 0.613 177 A CB -0.857 18.131 19.000 -0.020 0.000 0.829 177 A HN 0.171 nan 8.150 nan 0.000 0.442 178 V N -0.933 118.857 119.914 -0.207 0.000 2.343 178 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 178 V C 2.265 177.940 176.094 -0.700 0.000 1.051 178 V CA 1.786 63.892 62.300 -0.323 0.000 1.036 178 V CB -0.942 30.738 31.823 -0.240 0.000 0.654 178 V HN 0.840 nan 8.190 nan 0.000 0.451 179 W N 0.290 121.131 121.300 -0.764 0.000 2.338 179 W HA -0.218 4.442 4.660 -0.000 0.000 0.304 179 W C 2.343 178.515 176.519 -0.578 0.000 1.212 179 W CA 1.889 58.721 57.345 -0.855 0.000 1.264 179 W CB -0.296 29.018 29.460 -0.243 0.000 1.142 179 W HN 0.248 nan 8.180 nan 0.000 0.512 180 M N 0.811 120.271 119.600 -0.232 0.000 2.202 180 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 180 M C 2.061 178.211 176.300 -0.249 0.000 1.063 180 M CA 2.466 57.655 55.300 -0.185 0.000 1.097 180 M CB -0.979 31.598 32.600 -0.038 0.000 1.382 180 M HN 0.025 nan 8.290 nan 0.000 0.413 181 T N -1.809 112.565 114.554 -0.300 0.000 3.072 181 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 181 T C 1.281 175.955 174.700 -0.044 0.000 1.127 181 T CA 0.603 62.609 62.100 -0.156 0.000 1.107 181 T CB -0.439 68.366 68.868 -0.106 0.000 0.910 181 T HN 0.158 nan 8.240 nan 0.000 0.513 182 F N 2.871 122.637 119.950 -0.308 0.000 2.407 182 F HA 0.181 4.707 4.527 -0.000 0.000 0.299 182 F C 2.382 177.993 175.800 -0.314 0.000 1.097 182 F CA -0.044 57.733 58.000 -0.372 0.000 1.422 182 F CB -0.752 37.847 39.000 -0.668 0.000 1.067 182 F HN 0.361 nan 8.300 nan 0.000 0.539 183 S N -1.093 114.538 115.700 -0.115 0.000 2.575 183 S HA 0.574 5.044 4.470 -0.000 0.000 0.237 183 S C 0.746 175.320 174.600 -0.044 0.000 0.975 183 S CA -0.266 57.885 58.200 -0.082 0.000 0.960 183 S CB -0.540 62.606 63.200 -0.089 0.000 0.822 183 S HN 0.127 nan 8.310 nan 0.000 0.472 184 A N 2.116 124.916 122.820 -0.033 0.000 2.498 184 A HA 0.427 4.747 4.320 -0.000 0.000 0.239 184 A C 1.206 178.783 177.584 -0.011 0.000 1.068 184 A CA -0.397 51.629 52.037 -0.018 0.000 0.766 184 A CB 0.298 19.292 19.000 -0.011 0.000 1.003 184 A HN 0.339 nan 8.150 nan 0.000 0.497 185 R N 0.529 121.024 120.500 -0.008 0.000 2.308 185 R HA 0.152 4.492 4.340 -0.000 0.000 0.202 185 R C 0.102 176.400 176.300 -0.003 0.000 0.898 185 R CA 0.999 57.096 56.100 -0.005 0.000 1.046 185 R CB -0.474 29.824 30.300 -0.002 0.000 1.026 185 R HN 0.896 nan 8.270 nan 0.000 0.512 186 S N -1.885 113.813 115.700 -0.003 0.000 2.643 186 S HA 0.321 4.791 4.470 -0.000 0.000 0.270 186 S C 0.708 175.307 174.600 -0.002 0.000 1.166 186 S CA -0.885 57.313 58.200 -0.002 0.000 0.815 186 S CB 0.953 64.151 63.200 -0.002 0.000 1.139 186 S HN -0.064 nan 8.310 nan 0.000 0.472 187 L N 0.730 121.952 121.223 -0.001 0.000 2.012 187 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 187 L C 2.697 179.566 176.870 -0.002 0.000 1.073 187 L CA 2.077 56.916 54.840 -0.001 0.000 0.748 187 L CB -0.966 41.091 42.059 -0.002 0.000 0.891 187 L HN 0.936 nan 8.230 nan 0.000 0.431 188 T N -0.738 113.815 114.554 -0.002 0.000 2.665 188 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 188 T C 1.387 176.086 174.700 -0.002 0.000 1.035 188 T CA 1.790 63.889 62.100 -0.001 0.000 1.151 188 T CB -0.306 68.561 68.868 -0.001 0.000 0.862 188 T HN 0.328 nan 8.240 nan 0.000 0.438 189 D N 0.746 121.145 120.400 -0.003 0.000 2.116 189 D HA -0.081 4.559 4.640 -0.000 0.000 0.193 189 D C 2.245 178.540 176.300 -0.008 0.000 0.998 189 D CA 1.157 55.154 54.000 -0.005 0.000 0.836 189 D CB -0.131 40.666 40.800 -0.007 0.000 0.951 189 D HN 0.417 nan 8.370 nan 0.000 0.449 190 K N 0.047 120.443 120.400 -0.008 0.000 2.025 190 K HA -0.061 4.258 4.320 -0.000 0.000 0.207 190 K C 2.226 178.822 176.600 -0.007 0.000 1.049 190 K CA 0.699 56.979 56.287 -0.011 0.000 0.933 190 K CB -0.259 32.239 32.500 -0.003 0.000 0.714 190 K HN 0.018 nan 8.250 nan 0.000 0.438 191 V N 1.856 121.768 119.914 -0.003 0.000 2.287 191 V HA -0.289 3.830 4.120 -0.000 0.000 0.248 191 V C 2.412 178.507 176.094 0.002 0.000 1.053 191 V CA 1.643 63.944 62.300 0.001 0.000 1.027 191 V CB -0.396 31.428 31.823 0.002 0.000 0.646 191 V HN 0.360 nan 8.190 nan 0.000 0.447 192 M N 0.239 119.839 119.600 0.000 0.000 2.149 192 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 192 M C 2.266 178.567 176.300 0.002 0.000 1.064 192 M CA 1.942 57.243 55.300 0.001 0.000 1.102 192 M CB -1.089 31.512 32.600 0.001 0.000 1.369 192 M HN 0.547 nan 8.290 nan 0.000 0.408 193 V N -3.125 116.788 119.914 -0.002 0.000 3.406 193 V HA -0.011 4.109 4.120 -0.000 0.000 0.263 193 V C 1.922 178.017 176.094 0.001 0.000 1.172 193 V CA 0.671 62.970 62.300 -0.002 0.000 1.140 193 V CB -0.792 31.024 31.823 -0.013 0.000 0.784 193 V HN 0.346 nan 8.190 nan 0.000 0.467 194 L N -0.524 120.700 121.223 0.002 0.000 2.270 194 L HA 0.140 4.480 4.340 -0.000 0.000 0.210 194 L C 2.458 179.345 176.870 0.028 0.000 1.104 194 L CA 1.069 55.917 54.840 0.014 0.000 0.804 194 L CB -0.258 41.809 42.059 0.013 0.000 0.937 194 L HN 0.247 nan 8.230 nan 0.000 0.450 195 I N -0.143 120.437 120.570 0.017 0.000 2.133 195 I HA -0.312 3.858 4.170 -0.000 0.000 0.238 195 I C 2.376 178.496 176.117 0.005 0.000 1.074 195 I CA 1.489 62.796 61.300 0.011 0.000 1.342 195 I CB -0.187 37.815 38.000 0.003 0.000 1.053 195 I HN 0.170 nan 8.210 nan 0.000 0.404 196 L N 0.241 121.469 121.223 0.007 0.000 2.046 196 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 196 L C -0.271 176.611 176.870 0.019 0.000 1.077 196 L CA 1.459 56.301 54.840 0.004 0.000 0.747 196 L CB -1.902 40.163 42.059 0.009 0.000 0.896 196 L HN 0.191 nan 8.230 nan 0.000 0.432 197 P HA -0.135 nan 4.420 nan 0.000 0.215 197 P C 1.938 179.326 177.300 0.147 0.000 1.153 197 P CA 1.196 64.353 63.100 0.095 0.000 0.853 197 P CB 0.043 31.795 31.700 0.086 0.000 0.788 198 V N 0.293 120.276 119.914 0.114 0.000 2.307 198 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 198 V C 2.536 178.485 176.094 -0.241 0.000 1.045 198 V CA 2.190 64.519 62.300 0.049 0.000 1.024 198 V CB -1.826 30.053 31.823 0.095 0.000 0.651 198 V HN 0.091 nan 8.190 nan 0.000 0.449 199 A N -0.255 122.481 122.820 -0.141 0.000 1.940 199 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 199 A C 2.264 179.723 177.584 -0.209 0.000 1.176 199 A CA 2.401 54.330 52.037 -0.179 0.000 0.631 199 A CB -0.556 18.383 19.000 -0.103 0.000 0.814 199 A HN 0.440 nan 8.150 nan 0.000 0.446 200 M N -0.324 119.202 119.600 -0.123 0.000 2.059 200 M HA -0.109 4.371 4.480 -0.000 0.000 0.259 200 M C 2.191 178.379 176.300 -0.187 0.000 1.072 200 M CA 2.446 57.684 55.300 -0.103 0.000 1.117 200 M CB -0.949 31.656 32.600 0.009 0.000 1.320 200 M HN 0.596 nan 8.290 nan 0.000 0.408 201 F N 0.521 120.375 119.950 -0.160 0.000 2.171 201 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 201 F C 1.794 177.381 175.800 -0.355 0.000 1.090 201 F CA 1.323 59.213 58.000 -0.185 0.000 1.293 201 F CB -1.531 37.538 39.000 0.115 0.000 1.013 201 F HN -0.018 nan 8.300 nan 0.000 0.486 202 V N 1.262 120.502 119.914 -1.124 0.000 2.307 202 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 202 V C 2.869 178.645 176.094 -0.531 0.000 1.045 202 V CA 2.173 63.832 62.300 -1.069 0.000 1.024 202 V CB -1.175 29.878 31.823 -1.283 0.000 0.651 202 V HN 0.652 nan 8.190 nan 0.000 0.449 203 S N -1.020 114.447 115.700 -0.389 0.000 2.442 203 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 203 S C 1.879 176.335 174.600 -0.240 0.000 1.007 203 S CA 1.568 59.623 58.200 -0.243 0.000 0.965 203 S CB -0.320 62.763 63.200 -0.195 0.000 0.773 203 S HN 0.431 nan 8.310 nan 0.000 0.504 204 S N 0.283 115.745 115.700 -0.395 0.000 2.558 204 S HA 0.400 4.870 4.470 -0.000 0.000 0.217 204 S C 1.400 175.799 174.600 -0.335 0.000 0.975 204 S CA 0.453 58.348 58.200 -0.508 0.000 0.912 204 S CB -0.320 62.125 63.200 -1.258 0.000 0.776 204 S HN 1.076 nan 8.310 nan 0.000 0.526 205 G N 1.469 110.149 108.800 -0.200 0.000 2.179 205 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 205 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 205 G C -0.022 174.998 174.900 0.202 0.000 1.010 205 G CA -0.160 44.964 45.100 0.041 0.000 0.736 205 G HN 0.371 nan 8.290 nan 0.000 0.513 206 F N 0.898 120.931 119.950 0.139 0.000 2.553 206 F HA 0.377 4.904 4.527 -0.000 0.000 0.356 206 F C 1.064 176.982 175.800 0.197 0.000 1.142 206 F CA -0.894 57.193 58.000 0.145 0.000 1.322 206 F CB 0.532 39.635 39.000 0.172 0.000 1.126 206 F HN 0.074 nan 8.300 nan 0.000 0.599 207 E N 1.571 121.933 120.200 0.270 0.000 2.151 207 E HA 0.114 4.464 4.350 -0.000 0.000 0.275 207 E C -0.774 175.919 176.600 0.155 0.000 0.936 207 E CA -0.390 56.144 56.400 0.223 0.000 0.777 207 E CB 1.575 31.357 29.700 0.136 0.000 1.108 207 E HN 0.449 nan 8.360 nan 0.000 0.401 208 H N 2.823 122.006 119.070 0.188 0.000 2.511 208 H HA 0.083 4.639 4.556 -0.000 0.000 0.328 208 H C 1.179 176.631 175.328 0.206 0.000 1.044 208 H CA -0.595 55.537 56.048 0.140 0.000 1.212 208 H CB 0.862 30.742 29.762 0.197 0.000 1.428 208 H HN 0.703 nan 8.280 nan 0.000 0.483 209 C N 4.644 124.043 119.300 0.165 0.000 2.425 209 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 209 C C 2.384 177.565 174.990 0.319 0.000 1.280 209 C CA -0.090 59.065 59.018 0.228 0.000 1.744 209 C CB -0.826 26.999 27.740 0.142 0.000 1.989 209 C HN 0.688 nan 8.230 nan 0.000 0.491 210 I N 2.735 123.596 120.570 0.484 0.000 2.233 210 I HA -0.046 4.124 4.170 -0.000 0.000 0.243 210 I C 3.118 179.435 176.117 0.335 0.000 1.093 210 I CA 1.672 63.167 61.300 0.325 0.000 1.380 210 I CB -1.988 36.204 38.000 0.319 0.000 1.067 210 I HN 0.397 nan 8.210 nan 0.000 0.413 211 A N 1.484 124.555 122.820 0.417 0.000 1.917 211 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 211 A C 2.061 179.970 177.584 0.541 0.000 1.182 211 A CA 2.061 54.412 52.037 0.524 0.000 0.633 211 A CB -0.825 18.572 19.000 0.663 0.000 0.819 211 A HN 0.442 nan 8.150 nan 0.000 0.448 212 N N -0.439 118.532 118.700 0.452 0.000 2.244 212 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 212 N C 1.592 177.221 175.510 0.198 0.000 1.016 212 N CA 1.472 54.702 53.050 0.299 0.000 0.866 212 N CB -0.493 38.243 38.487 0.414 0.000 0.980 212 N HN 0.583 nan 8.380 nan 0.000 0.430 213 M N -0.855 118.934 119.600 0.315 0.000 2.279 213 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 213 M C 1.664 178.032 176.300 0.112 0.000 1.062 213 M CA 1.165 56.629 55.300 0.274 0.000 1.099 213 M CB -0.179 32.533 32.600 0.187 0.000 1.394 213 M HN 0.095 nan 8.290 nan 0.000 0.426 214 F N 0.755 120.715 119.950 0.017 0.000 2.123 214 F HA -0.131 4.396 4.527 -0.000 0.000 0.289 214 F C 2.526 178.229 175.800 -0.161 0.000 1.099 214 F CA 1.539 59.514 58.000 -0.040 0.000 1.234 214 F CB -0.487 38.529 39.000 0.027 0.000 1.034 214 F HN -0.013 nan 8.300 nan 0.000 0.479 215 Q N 0.755 120.326 119.800 -0.382 0.000 2.084 215 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 215 Q C 1.994 177.580 176.000 -0.690 0.000 0.978 215 Q CA 2.467 57.854 55.803 -0.694 0.000 0.844 215 Q CB -0.787 27.369 28.738 -0.970 0.000 0.898 215 Q HN 0.369 nan 8.270 nan 0.000 0.426 216 V N 1.006 120.515 119.914 -0.674 0.000 2.283 216 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 216 V C -0.850 174.789 176.094 -0.759 0.000 1.039 216 V CA 1.932 63.769 62.300 -0.772 0.000 1.016 216 V CB -1.520 29.617 31.823 -1.144 0.000 0.650 216 V HN 0.288 nan 8.190 nan 0.000 0.449 217 P HA -0.164 nan 4.420 nan 0.000 0.218 217 P C 1.849 178.865 177.300 -0.473 0.000 1.149 217 P CA 1.344 64.150 63.100 -0.490 0.000 0.817 217 P CB -0.110 31.460 31.700 -0.216 0.000 0.785 218 M N 0.099 119.316 119.600 -0.637 0.000 2.086 218 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 218 M C 1.932 177.960 176.300 -0.454 0.000 1.067 218 M CA 1.978 56.907 55.300 -0.620 0.000 1.116 218 M CB -1.324 30.656 32.600 -1.033 0.000 1.348 218 M HN -0.135 nan 8.290 nan 0.000 0.407 219 A N -0.149 122.392 122.820 -0.466 0.000 1.930 219 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 219 A C 2.207 179.573 177.584 -0.364 0.000 1.175 219 A CA 1.808 53.622 52.037 -0.373 0.000 0.627 219 A CB -1.080 17.726 19.000 -0.323 0.000 0.815 219 A HN 0.603 nan 8.150 nan 0.000 0.443 220 I N -0.321 120.014 120.570 -0.391 0.000 2.226 220 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 220 I C 2.691 178.670 176.117 -0.230 0.000 1.100 220 I CA 1.163 62.262 61.300 -0.336 0.000 1.374 220 I CB -0.550 37.133 38.000 -0.529 0.000 1.057 220 I HN 0.400 nan 8.210 nan 0.000 0.413 221 G N 1.035 109.684 108.800 -0.251 0.000 2.422 221 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 221 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 221 G C 1.682 176.413 174.900 -0.283 0.000 1.146 221 G CA 0.608 45.594 45.100 -0.191 0.000 0.769 221 G HN 0.309 nan 8.290 nan 0.000 0.547 222 I N 0.418 120.731 120.570 -0.429 0.000 2.127 222 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 222 I C 2.678 178.356 176.117 -0.731 0.000 1.075 222 I CA 1.600 62.434 61.300 -0.777 0.000 1.334 222 I CB -0.237 37.312 38.000 -0.753 0.000 1.040 222 I HN 0.128 nan 8.210 nan 0.000 0.405 223 K N 0.314 120.404 120.400 -0.517 0.000 2.077 223 K HA -0.265 4.055 4.320 -0.000 0.000 0.213 223 K C 2.161 178.575 176.600 -0.310 0.000 1.051 223 K CA 2.122 58.194 56.287 -0.358 0.000 0.929 223 K CB -0.219 32.041 32.500 -0.401 0.000 0.715 223 K HN 0.234 nan 8.250 nan 0.000 0.451 224 Y N -1.527 118.554 120.300 -0.366 0.000 2.420 224 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 224 Y C 1.516 177.169 175.900 -0.411 0.000 1.119 224 Y CA 0.671 58.519 58.100 -0.421 0.000 1.229 224 Y CB 0.293 38.340 38.460 -0.689 0.000 1.026 224 Y HN 0.028 nan 8.280 nan 0.000 0.554 225 F N -0.774 119.126 119.950 -0.084 0.000 2.746 225 F HA 0.381 4.907 4.527 -0.000 0.000 0.297 225 F C 1.372 177.062 175.800 -0.184 0.000 1.113 225 F CA -0.699 57.237 58.000 -0.107 0.000 1.367 225 F CB -0.800 38.129 39.000 -0.118 0.000 1.111 225 F HN -0.227 nan 8.300 nan 0.000 0.590 226 A N 3.305 125.942 122.820 -0.307 0.000 2.548 226 A HA 0.272 4.592 4.320 -0.000 0.000 0.247 226 A C -1.925 175.648 177.584 -0.018 0.000 1.067 226 A CA -0.869 50.921 52.037 -0.412 0.000 0.757 226 A CB -0.816 17.518 19.000 -1.111 0.000 0.996 226 A HN -0.011 nan 8.150 nan 0.000 0.504 227 P HA 0.144 nan 4.420 nan 0.000 0.274 227 P C 0.522 177.943 177.300 0.201 0.000 1.256 227 P CA -0.234 62.964 63.100 0.163 0.000 0.795 227 P CB 0.753 32.544 31.700 0.152 0.000 1.038 228 E N 1.321 121.671 120.200 0.249 0.000 2.130 228 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 228 E C 1.802 178.552 176.600 0.249 0.000 0.998 228 E CA 2.337 58.926 56.400 0.316 0.000 0.806 228 E CB -0.949 28.883 29.700 0.220 0.000 0.738 228 E HN 0.449 nan 8.360 nan 0.000 0.459 229 S N -0.703 115.097 115.700 0.167 0.000 2.419 229 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 229 S C 2.042 176.703 174.600 0.102 0.000 1.019 229 S CA 0.980 59.250 58.200 0.117 0.000 0.982 229 S CB -0.852 62.399 63.200 0.086 0.000 0.789 229 S HN 0.439 nan 8.310 nan 0.000 0.490 230 F N 1.297 121.197 119.950 -0.083 0.000 2.102 230 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 230 F C 1.916 177.570 175.800 -0.244 0.000 1.105 230 F CA 1.360 59.226 58.000 -0.222 0.000 1.239 230 F CB -0.464 38.313 39.000 -0.372 0.000 0.991 230 F HN 0.198 nan 8.300 nan 0.000 0.474 231 W N 0.349 121.794 121.300 0.241 0.000 2.358 231 W HA -0.073 4.587 4.660 -0.000 0.000 0.303 231 W C 2.630 179.146 176.519 -0.004 0.000 1.208 231 W CA 1.162 58.564 57.345 0.095 0.000 1.274 231 W CB -1.042 28.501 29.460 0.139 0.000 1.138 231 W HN 0.082 nan 8.180 nan 0.000 0.515 232 A N 1.290 124.235 122.820 0.209 0.000 1.877 232 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 232 A C 2.026 179.625 177.584 0.025 0.000 1.186 232 A CA 2.257 54.359 52.037 0.109 0.000 0.620 232 A CB -1.052 18.007 19.000 0.098 0.000 0.822 232 A HN 0.436 nan 8.150 nan 0.000 0.443 233 M N -0.700 118.879 119.600 -0.035 0.000 2.419 233 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 233 M C 1.748 177.966 176.300 -0.138 0.000 1.082 233 M CA 1.877 57.129 55.300 -0.080 0.000 1.119 233 M CB -0.972 31.579 32.600 -0.083 0.000 1.398 233 M HN 0.363 nan 8.290 nan 0.000 0.453 234 T N -2.962 111.460 114.554 -0.220 0.000 3.043 234 T HA 0.373 4.723 4.350 -0.000 0.000 0.263 234 T C 1.751 176.410 174.700 -0.068 0.000 1.094 234 T CA 0.812 62.779 62.100 -0.223 0.000 1.127 234 T CB -0.197 68.412 68.868 -0.432 0.000 0.905 234 T HN 0.715 nan 8.240 nan 0.000 0.490 235 G N 1.423 110.223 108.800 0.000 0.000 2.179 235 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.260 235 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.260 235 G C 0.382 175.345 174.900 0.106 0.000 0.977 235 G CA 0.123 45.250 45.100 0.045 0.000 0.641 235 G HN 1.160 nan 8.290 nan 0.000 0.533 236 A N -0.121 122.814 122.820 0.191 0.000 2.259 236 A HA 0.791 5.111 4.320 -0.000 0.000 0.278 236 A C 0.279 178.105 177.584 0.403 0.000 1.107 236 A CA 0.606 52.841 52.037 0.331 0.000 0.828 236 A CB 0.483 19.794 19.000 0.519 0.000 1.111 236 A HN 1.860 nan 8.150 nan 0.000 0.498 237 N N -1.934 116.887 118.700 0.201 0.000 2.494 237 N HA 0.312 5.052 4.740 -0.000 0.000 0.270 237 N C -0.060 175.041 175.510 -0.682 0.000 1.285 237 N CA -0.713 52.147 53.050 -0.317 0.000 0.812 237 N CB 1.077 39.432 38.487 -0.219 0.000 1.557 237 N HN 0.412 nan 8.380 nan 0.000 0.487 238 I N 0.219 119.981 120.570 -1.347 0.000 2.700 238 I HA -0.134 4.036 4.170 -0.000 0.000 0.261 238 I C 1.727 177.647 176.117 -0.328 0.000 1.219 238 I CA 1.111 61.858 61.300 -0.921 0.000 1.463 238 I CB -0.153 37.338 38.000 -0.847 0.000 1.092 238 I HN 0.831 nan 8.210 nan 0.000 0.452 239 A N -0.445 122.203 122.820 -0.287 0.000 2.209 239 A HA -0.131 4.189 4.320 -0.000 0.000 0.212 239 A C 1.959 179.445 177.584 -0.164 0.000 1.158 239 A CA 0.753 52.683 52.037 -0.179 0.000 0.742 239 A CB -0.332 18.576 19.000 -0.153 0.000 0.790 239 A HN 0.591 nan 8.150 nan 0.000 0.472 240 Q N -1.902 117.777 119.800 -0.201 0.000 2.360 240 Q HA 0.077 4.417 4.340 -0.000 0.000 0.202 240 Q C -0.349 175.270 176.000 -0.636 0.000 0.915 240 Q CA 0.420 55.985 55.803 -0.396 0.000 0.943 240 Q CB 0.120 28.572 28.738 -0.476 0.000 1.064 240 Q HN 0.862 nan 8.270 nan 0.000 0.511 241 Y N -1.785 118.472 120.300 -0.072 0.000 2.719 241 Y HA 0.379 4.929 4.550 -0.000 0.000 0.251 241 Y C 1.399 177.250 175.900 -0.082 0.000 1.159 241 Y CA -0.331 57.739 58.100 -0.050 0.000 1.166 241 Y CB 0.333 38.778 38.460 -0.026 0.000 1.219 241 Y HN 0.071 nan 8.280 nan 0.000 0.551 242 A N 0.484 123.297 122.820 -0.011 0.000 2.024 242 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 242 A C 1.957 179.548 177.584 0.013 0.000 1.164 242 A CA 2.204 54.232 52.037 -0.016 0.000 0.643 242 A CB -0.392 18.589 19.000 -0.032 0.000 0.806 242 A HN 0.557 nan 8.150 nan 0.000 0.451 243 D N -0.876 119.547 120.400 0.039 0.000 2.269 243 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 243 D C 0.486 176.791 176.300 0.008 0.000 0.963 243 D CA 0.204 54.244 54.000 0.066 0.000 0.864 243 D CB -0.447 40.475 40.800 0.203 0.000 0.936 243 D HN 0.243 nan 8.370 nan 0.000 0.505 244 L N 2.341 123.569 121.223 0.007 0.000 2.454 244 L HA 0.247 4.586 4.340 -0.000 0.000 0.284 244 L C -0.361 176.438 176.870 -0.118 0.000 1.139 244 L CA -0.005 54.795 54.840 -0.067 0.000 0.911 244 L CB -0.945 41.089 42.059 -0.043 0.000 1.262 244 L HN 0.176 nan 8.230 nan 0.000 0.453 245 N N 1.097 119.715 118.700 -0.135 0.000 3.106 245 N HA 0.277 5.017 4.740 -0.000 0.000 0.253 245 N C 0.200 175.627 175.510 -0.139 0.000 1.506 245 N CA -0.708 52.255 53.050 -0.145 0.000 0.876 245 N CB 0.074 38.572 38.487 0.019 0.000 1.452 245 N HN -0.051 nan 8.380 nan 0.000 0.542 246 F N -0.155 119.861 119.950 0.110 0.000 2.206 246 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 246 F C 2.337 178.221 175.800 0.141 0.000 1.090 246 F CA 1.270 59.368 58.000 0.164 0.000 1.323 246 F CB -0.449 38.628 39.000 0.127 0.000 1.028 246 F HN 0.451 nan 8.300 nan 0.000 0.492 247 V N -0.966 119.094 119.914 0.244 0.000 2.261 247 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 247 V C 2.117 178.275 176.094 0.107 0.000 1.047 247 V CA 2.122 64.509 62.300 0.146 0.000 1.015 247 V CB -1.087 30.798 31.823 0.103 0.000 0.642 247 V HN 0.251 nan 8.190 nan 0.000 0.446 248 N N 0.325 119.078 118.700 0.089 0.000 2.104 248 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 248 N C 1.625 177.185 175.510 0.083 0.000 1.024 248 N CA 2.000 55.077 53.050 0.045 0.000 0.853 248 N CB -0.665 37.815 38.487 -0.011 0.000 1.008 248 N HN 0.650 nan 8.380 nan 0.000 0.424 249 F N 1.775 121.703 119.950 -0.038 0.000 2.075 249 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 249 F C 2.081 177.898 175.800 0.029 0.000 1.113 249 F CA 1.050 59.033 58.000 -0.030 0.000 1.218 249 F CB -0.700 38.278 39.000 -0.038 0.000 0.984 249 F HN -0.084 nan 8.300 nan 0.000 0.472 250 I N -0.576 119.874 120.570 -0.200 0.000 2.202 250 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 250 I C 2.255 178.299 176.117 -0.123 0.000 1.091 250 I CA 1.272 62.397 61.300 -0.292 0.000 1.368 250 I CB -0.640 37.293 38.000 -0.110 0.000 1.058 250 I HN 0.017 nan 8.210 nan 0.000 0.410 251 V N 0.915 120.817 119.914 -0.020 0.000 2.379 251 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 251 V C 1.972 178.097 176.094 0.051 0.000 1.035 251 V CA 1.586 63.908 62.300 0.037 0.000 1.035 251 V CB -0.686 31.173 31.823 0.060 0.000 0.673 251 V HN 0.393 nan 8.190 nan 0.000 0.457 252 N N 0.237 118.953 118.700 0.026 0.000 2.354 252 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 252 N C 1.583 177.099 175.510 0.009 0.000 1.021 252 N CA 1.481 54.544 53.050 0.023 0.000 0.887 252 N CB -0.131 38.336 38.487 -0.033 0.000 0.974 252 N HN 0.663 nan 8.380 nan 0.000 0.437 253 N N -0.596 118.101 118.700 -0.004 0.000 3.046 253 N HA 0.203 4.943 4.740 -0.000 0.000 0.240 253 N C 1.389 176.871 175.510 -0.047 0.000 1.017 253 N CA -0.292 52.778 53.050 0.033 0.000 1.126 253 N CB -0.233 38.351 38.487 0.161 0.000 1.642 253 N HN -0.153 nan 8.380 nan 0.000 0.548 254 L N 1.235 122.340 121.223 -0.196 0.000 1.997 254 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 254 L C 1.996 178.803 176.870 -0.105 0.000 1.074 254 L CA 1.576 56.274 54.840 -0.237 0.000 0.763 254 L CB -0.523 41.193 42.059 -0.571 0.000 0.890 254 L HN 0.398 nan 8.230 nan 0.000 0.434 255 I N 0.013 120.526 120.570 -0.095 0.000 2.090 255 I HA -0.230 3.940 4.170 -0.000 0.000 0.236 255 I C -0.368 175.707 176.117 -0.070 0.000 1.064 255 I CA 1.533 62.817 61.300 -0.026 0.000 1.324 255 I CB -1.609 36.425 38.000 0.057 0.000 1.044 255 I HN 0.241 nan 8.210 nan 0.000 0.399 256 P HA -0.099 nan 4.420 nan 0.000 0.217 256 P C 1.952 179.141 177.300 -0.185 0.000 1.150 256 P CA 1.366 64.158 63.100 -0.514 0.000 0.832 256 P CB -0.079 31.004 31.700 -1.029 0.000 0.787 257 V N 0.351 120.191 119.914 -0.123 0.000 2.295 257 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 257 V C 2.616 178.674 176.094 -0.059 0.000 1.049 257 V CA 2.604 64.857 62.300 -0.078 0.000 1.024 257 V CB -1.960 29.866 31.823 0.005 0.000 0.648 257 V HN 0.169 nan 8.190 nan 0.000 0.447 258 T N 0.575 115.125 114.554 -0.006 0.000 2.684 258 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 258 T C 1.893 176.616 174.700 0.039 0.000 1.036 258 T CA 1.725 63.850 62.100 0.041 0.000 1.148 258 T CB -0.348 68.531 68.868 0.018 0.000 0.863 258 T HN 0.286 nan 8.240 nan 0.000 0.436 259 L N 0.587 121.849 121.223 0.065 0.000 2.012 259 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 259 L C 3.067 179.991 176.870 0.089 0.000 1.073 259 L CA 1.555 56.498 54.840 0.172 0.000 0.748 259 L CB -1.162 41.095 42.059 0.330 0.000 0.891 259 L HN 0.374 nan 8.230 nan 0.000 0.431 260 G N -0.158 108.550 108.800 -0.154 0.000 2.469 260 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 260 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 260 G C 1.375 176.039 174.900 -0.394 0.000 1.150 260 G CA 0.966 45.661 45.100 -0.675 0.000 0.763 260 G HN 0.328 nan 8.290 nan 0.000 0.561 261 N N 0.625 119.177 118.700 -0.246 0.000 2.120 261 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 261 N C 2.213 177.597 175.510 -0.210 0.000 1.024 261 N CA 0.862 53.768 53.050 -0.241 0.000 0.852 261 N CB -0.287 38.089 38.487 -0.184 0.000 1.003 261 N HN 0.388 nan 8.380 nan 0.000 0.424 262 I N 0.172 120.670 120.570 -0.121 0.000 2.163 262 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 262 I C 2.040 178.169 176.117 0.019 0.000 1.081 262 I CA 0.726 61.980 61.300 -0.076 0.000 1.353 262 I CB -0.226 37.804 38.000 0.050 0.000 1.054 262 I HN -0.093 nan 8.210 nan 0.000 0.407 263 V N 1.013 120.946 119.914 0.031 0.000 2.407 263 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 263 V C 2.551 178.641 176.094 -0.006 0.000 1.055 263 V CA 2.127 64.468 62.300 0.067 0.000 1.049 263 V CB -1.430 30.481 31.823 0.147 0.000 0.662 263 V HN 0.598 nan 8.190 nan 0.000 0.455 264 G N 0.109 108.840 108.800 -0.115 0.000 2.418 264 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 264 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 264 G C 1.607 176.481 174.900 -0.044 0.000 1.158 264 G CA 0.932 45.959 45.100 -0.122 0.000 0.771 264 G HN 0.585 nan 8.290 nan 0.000 0.545 265 G N 0.552 109.316 108.800 -0.059 0.000 2.421 265 G HA2 0.134 4.094 3.960 -0.000 0.000 0.217 265 G HA3 0.134 4.094 3.960 -0.000 0.000 0.217 265 G C 1.724 176.695 174.900 0.118 0.000 1.143 265 G CA 1.259 46.363 45.100 0.006 0.000 0.784 265 G HN 0.574 nan 8.290 nan 0.000 0.541 266 G N 0.425 109.291 108.800 0.110 0.000 2.402 266 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 266 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 266 G C 1.742 176.708 174.900 0.110 0.000 1.162 266 G CA 1.040 46.214 45.100 0.122 0.000 0.777 266 G HN 0.286 nan 8.290 nan 0.000 0.539 267 V N 0.156 120.135 119.914 0.108 0.000 2.295 267 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 267 V C 2.321 178.488 176.094 0.121 0.000 1.049 267 V CA 1.949 64.312 62.300 0.106 0.000 1.024 267 V CB -0.500 31.373 31.823 0.084 0.000 0.648 267 V HN 0.412 nan 8.190 nan 0.000 0.447 268 F N 0.194 120.140 119.950 -0.007 0.000 2.126 268 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 268 F C 2.167 177.976 175.800 0.015 0.000 1.096 268 F CA 2.014 59.999 58.000 -0.025 0.000 1.255 268 F CB -0.100 38.860 39.000 -0.067 0.000 0.997 268 F HN -0.020 nan 8.300 nan 0.000 0.479 269 V N 0.012 120.016 119.914 0.150 0.000 2.453 269 V HA -0.177 3.942 4.120 -0.000 0.000 0.247 269 V C 2.715 178.826 176.094 0.028 0.000 1.048 269 V CA 1.747 64.105 62.300 0.097 0.000 1.049 269 V CB -1.493 30.403 31.823 0.123 0.000 0.672 269 V HN 0.532 nan 8.190 nan 0.000 0.457 270 G N -0.444 108.365 108.800 0.014 0.000 2.432 270 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 270 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 270 G C 1.544 176.464 174.900 0.032 0.000 1.135 270 G CA 1.357 46.449 45.100 -0.013 0.000 0.767 270 G HN 0.422 nan 8.290 nan 0.000 0.550 271 M N -0.360 119.247 119.600 0.010 0.000 2.064 271 M HA 0.089 4.569 4.480 -0.000 0.000 0.260 271 M C 2.203 178.489 176.300 -0.022 0.000 1.073 271 M CA 1.299 56.598 55.300 -0.003 0.000 1.124 271 M CB -0.759 31.762 32.600 -0.132 0.000 1.326 271 M HN 0.450 nan 8.290 nan 0.000 0.410 272 W N -0.351 120.718 121.300 -0.385 0.000 2.338 272 W HA -0.332 4.328 4.660 -0.000 0.000 0.304 272 W C 2.240 178.687 176.519 -0.119 0.000 1.212 272 W CA 1.803 58.932 57.345 -0.360 0.000 1.264 272 W CB -0.683 28.463 29.460 -0.523 0.000 1.142 272 W HN 0.449 nan 8.180 nan 0.000 0.512 273 Y N -0.517 119.644 120.300 -0.231 0.000 2.081 273 Y HA -0.292 4.257 4.550 -0.000 0.000 0.280 273 Y C 2.198 177.955 175.900 -0.239 0.000 1.163 273 Y CA 2.255 60.151 58.100 -0.339 0.000 1.135 273 Y CB -1.456 36.743 38.460 -0.436 0.000 0.970 273 Y HN -0.037 nan 8.280 nan 0.000 0.498 274 W N -0.424 120.634 121.300 -0.404 0.000 2.421 274 W HA -0.187 4.473 4.660 -0.000 0.000 0.270 274 W C 2.292 178.641 176.519 -0.283 0.000 1.233 274 W CA 0.058 57.155 57.345 -0.413 0.000 1.226 274 W CB 0.021 29.375 29.460 -0.175 0.000 1.121 274 W HN 0.184 nan 8.180 nan 0.000 0.579 275 L N 0.566 121.725 121.223 -0.106 0.000 2.068 275 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 275 L C 2.266 178.929 176.870 -0.345 0.000 1.076 275 L CA 1.751 56.468 54.840 -0.204 0.000 0.753 275 L CB -1.222 40.697 42.059 -0.233 0.000 0.910 275 L HN 0.090 nan 8.230 nan 0.000 0.439 276 I N -2.250 117.962 120.570 -0.598 0.000 2.226 276 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 276 I C 2.561 178.539 176.117 -0.231 0.000 1.100 276 I CA 1.671 62.685 61.300 -0.476 0.000 1.374 276 I CB -1.381 36.294 38.000 -0.542 0.000 1.057 276 I HN 0.203 nan 8.210 nan 0.000 0.413 277 Y N 0.567 120.667 120.300 -0.332 0.000 2.574 277 Y HA 0.141 4.691 4.550 -0.000 0.000 0.294 277 Y C 0.961 176.787 175.900 -0.123 0.000 1.142 277 Y CA 0.476 58.446 58.100 -0.216 0.000 1.314 277 Y CB 0.098 38.384 38.460 -0.290 0.000 0.991 277 Y HN 0.222 nan 8.280 nan 0.000 0.555 278 L N 0.000 121.118 121.223 -0.175 0.000 2.949 278 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 278 L CA 0.000 54.718 54.840 -0.203 0.000 0.813 278 L CB 0.000 42.015 42.059 -0.074 0.000 0.961 278 L HN 0.000 nan 8.230 nan 0.000 0.502