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 1mxf_1_D DATA FIRST_RESID 11 DATA SEQUENCE CPAAVITGGA RRIGHSIAVR LHQQGFRVVV HYRHSEGAAQ RLVAELNAAR DATA SEQUENCE AGSAVLCKGD LSLSSSLLDC CEDIIDCSFR AFGRCDVLVN NASAYYPTPL DATA SEQUENCE LPXXXXXXXX XXKPIDAQVA ELFGSNAVAP LFLIRAFARR QXXXXXXXXX DATA SEQUENCE NLSVVNLCDA XTDLPLPGFC VYTXAKHALG GLTRAAALEL APRHIRVNAV DATA SEQUENCE APGLSLLPPA XPQETQEEYR RKVPLGQSEA SAAQIADAIA FLVSKDAGYI DATA SEQUENCE TGTTLKVDGG LILARA 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 11 C HA 0.000 nan 4.460 nan 0.000 0.325 11 C C 0.000 174.848 174.990 -0.237 0.000 1.270 11 C CA 0.000 58.894 59.018 -0.206 0.000 1.963 11 C CB 0.000 27.617 27.740 -0.205 0.000 2.134 12 P HA 0.473 nan 4.420 nan 0.000 0.272 12 P C -0.803 176.391 177.300 -0.176 0.000 1.223 12 P CA 0.222 63.162 63.100 -0.268 0.000 0.784 12 P CB 1.048 32.489 31.700 -0.432 0.000 0.923 13 A N 1.357 124.173 122.820 -0.006 0.000 2.355 13 A HA 0.758 5.078 4.320 -0.001 0.000 0.324 13 A C -0.754 176.930 177.584 0.166 0.000 1.117 13 A CA -0.635 51.383 52.037 -0.031 0.000 0.785 13 A CB 1.404 20.322 19.000 -0.137 0.000 1.254 13 A HN 0.639 nan 8.150 nan 0.000 0.453 14 A N 1.162 124.044 122.820 0.102 0.000 2.393 14 A HA 0.689 5.008 4.320 -0.001 0.000 0.306 14 A C -0.979 176.625 177.584 0.033 0.000 1.050 14 A CA -0.445 51.593 52.037 0.002 0.000 0.724 14 A CB 1.371 20.218 19.000 -0.256 0.000 1.248 14 A HN 1.106 nan 8.150 nan 0.000 0.424 15 V N 2.375 122.307 119.914 0.029 0.000 2.472 15 V HA 0.511 4.631 4.120 -0.001 0.000 0.290 15 V C -0.795 175.301 176.094 0.004 0.000 1.037 15 V CA -0.174 62.160 62.300 0.058 0.000 0.908 15 V CB 1.316 33.186 31.823 0.078 0.000 0.985 15 V HN 0.676 nan 8.190 nan 0.000 0.454 16 I N 3.759 124.354 120.570 0.041 0.000 2.468 16 I HA 0.311 4.480 4.170 -0.001 0.000 0.284 16 I C 0.418 176.591 176.117 0.094 0.000 1.038 16 I CA -0.125 61.191 61.300 0.027 0.000 1.083 16 I CB 2.136 40.147 38.000 0.018 0.000 1.223 16 I HN 0.725 nan 8.210 nan 0.000 0.443 17 T N 1.793 116.376 114.554 0.049 0.000 2.907 17 T HA 0.492 4.842 4.350 -0.001 0.000 0.298 17 T C 1.134 175.977 174.700 0.240 0.000 1.017 17 T CA 0.007 62.167 62.100 0.101 0.000 1.118 17 T CB 1.244 70.017 68.868 -0.158 0.000 0.948 17 T HN 1.191 nan 8.240 nan 0.000 0.531 18 G N 1.624 110.716 108.800 0.487 0.000 2.305 18 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.287 18 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.287 18 G C 0.780 175.779 174.900 0.165 0.000 1.036 18 G CA 0.049 45.298 45.100 0.249 0.000 0.887 18 G HN 1.474 nan 8.290 nan 0.000 0.505 19 G N -1.000 107.901 108.800 0.167 0.000 3.181 19 G HA2 0.477 4.437 3.960 -0.001 0.000 0.219 19 G HA3 0.477 4.437 3.960 -0.001 0.000 0.219 19 G C 1.446 176.406 174.900 0.100 0.000 1.182 19 G CA 1.335 46.501 45.100 0.109 0.000 0.791 19 G HN 1.286 nan 8.290 nan 0.000 0.537 20 A N 0.252 123.145 122.820 0.121 0.000 1.970 20 A HA 0.371 4.691 4.320 -0.001 0.000 0.216 20 A C 1.529 179.232 177.584 0.197 0.000 1.170 20 A CA 0.477 52.583 52.037 0.114 0.000 0.645 20 A CB 0.174 19.206 19.000 0.054 0.000 0.816 20 A HN 0.360 nan 8.150 nan 0.000 0.447 21 R N -3.121 117.473 120.500 0.157 0.000 2.869 21 R HA 0.623 4.962 4.340 -0.001 0.000 0.263 21 R C 0.226 176.585 176.300 0.097 0.000 1.066 21 R CA -0.968 55.196 56.100 0.107 0.000 0.960 21 R CB 0.994 31.320 30.300 0.043 0.000 1.221 21 R HN 0.285 nan 8.270 nan 0.000 0.474 22 R N -0.288 120.223 120.500 0.018 0.000 3.793 22 R HA -0.330 4.010 4.340 -0.001 0.000 0.464 22 R C 1.624 177.957 176.300 0.054 0.000 0.241 22 R CA 1.958 58.067 56.100 0.014 0.000 1.464 22 R CB -1.454 28.853 30.300 0.010 0.000 0.954 22 R HN 0.614 nan 8.270 nan 0.000 0.583 23 I N 0.286 120.879 120.570 0.038 0.000 2.252 23 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 23 I C 2.543 178.694 176.117 0.057 0.000 1.102 23 I CA 1.758 63.080 61.300 0.037 0.000 1.385 23 I CB -0.712 37.292 38.000 0.008 0.000 1.064 23 I HN 0.758 nan 8.210 nan 0.000 0.414 24 G N -0.154 108.686 108.800 0.067 0.000 2.440 24 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.218 24 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.218 24 G C 1.468 176.415 174.900 0.079 0.000 1.154 24 G CA 1.341 46.481 45.100 0.066 0.000 0.767 24 G HN 0.445 nan 8.290 nan 0.000 0.552 25 H N 0.352 119.431 119.070 0.016 0.000 2.290 25 H HA -0.109 4.446 4.556 -0.000 0.000 0.298 25 H C 2.830 178.161 175.328 0.006 0.000 1.087 25 H CA 2.164 58.218 56.048 0.010 0.000 1.291 25 H CB -0.212 29.552 29.762 0.004 0.000 1.369 25 H HN 0.322 nan 8.280 nan 0.000 0.492 26 S N -0.630 115.198 115.700 0.214 0.000 2.383 26 S HA -0.140 4.329 4.470 -0.001 0.000 0.229 26 S C 2.188 176.814 174.600 0.044 0.000 1.030 26 S CA 1.550 59.832 58.200 0.135 0.000 1.002 26 S CB -0.417 62.841 63.200 0.096 0.000 0.829 26 S HN 0.486 nan 8.310 nan 0.000 0.467 27 I N 1.423 122.006 120.570 0.021 0.000 2.252 27 I HA -0.125 4.045 4.170 -0.001 0.000 0.245 27 I C 2.810 178.906 176.117 -0.035 0.000 1.102 27 I CA 1.057 62.350 61.300 -0.013 0.000 1.385 27 I CB -0.558 37.428 38.000 -0.024 0.000 1.064 27 I HN 0.367 nan 8.210 nan 0.000 0.414 28 A N 0.496 123.286 122.820 -0.050 0.000 1.902 28 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 28 A C 2.425 179.984 177.584 -0.042 0.000 1.181 28 A CA 1.802 53.803 52.037 -0.061 0.000 0.623 28 A CB -0.934 18.006 19.000 -0.101 0.000 0.818 28 A HN 0.249 nan 8.150 nan 0.000 0.443 29 V N -0.235 119.631 119.914 -0.080 0.000 2.358 29 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 29 V C 2.640 178.768 176.094 0.057 0.000 1.047 29 V CA 2.257 64.540 62.300 -0.028 0.000 1.035 29 V CB -0.794 31.005 31.823 -0.039 0.000 0.658 29 V HN 0.605 nan 8.190 nan 0.000 0.452 30 R N 0.393 120.915 120.500 0.038 0.000 2.081 30 R HA -0.076 4.264 4.340 -0.001 0.000 0.235 30 R C 2.077 178.418 176.300 0.068 0.000 1.131 30 R CA 1.723 57.853 56.100 0.050 0.000 0.960 30 R CB -0.686 29.632 30.300 0.030 0.000 0.856 30 R HN 0.472 nan 8.270 nan 0.000 0.436 31 L N -0.525 120.723 121.223 0.041 0.000 2.093 31 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 31 L C 2.605 179.603 176.870 0.213 0.000 1.085 31 L CA 1.540 56.416 54.840 0.060 0.000 0.755 31 L CB -0.763 41.188 42.059 -0.180 0.000 0.904 31 L HN 0.435 nan 8.230 nan 0.000 0.435 32 H N 0.877 119.992 119.070 0.075 0.000 2.387 32 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 32 H C 1.845 177.205 175.328 0.054 0.000 1.090 32 H CA 1.445 57.532 56.048 0.065 0.000 1.332 32 H CB 0.245 30.015 29.762 0.013 0.000 1.386 32 H HN 0.457 nan 8.280 nan 0.000 0.516 33 Q N 0.025 119.897 119.800 0.120 0.000 2.500 33 Q HA -0.079 4.261 4.340 -0.001 0.000 0.213 33 Q C 1.041 177.048 176.000 0.012 0.000 0.974 33 Q CA 0.605 56.448 55.803 0.066 0.000 0.918 33 Q CB 0.207 28.997 28.738 0.086 0.000 0.980 33 Q HN 0.626 nan 8.270 nan 0.000 0.505 34 Q N -1.227 118.595 119.800 0.035 0.000 2.172 34 Q HA 0.191 4.531 4.340 -0.001 0.000 0.217 34 Q C 0.591 176.539 176.000 -0.087 0.000 0.832 34 Q CA 0.270 56.092 55.803 0.031 0.000 1.010 34 Q CB 1.282 30.111 28.738 0.151 0.000 1.133 34 Q HN 0.461 nan 8.270 nan 0.000 0.489 35 G N 0.469 109.162 108.800 -0.180 0.000 2.213 35 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.236 35 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.236 35 G C -0.119 174.560 174.900 -0.368 0.000 0.991 35 G CA -0.596 44.329 45.100 -0.291 0.000 0.629 35 G HN 0.287 nan 8.290 nan 0.000 0.517 36 F N 2.098 121.917 119.950 -0.218 0.000 2.484 36 F HA 0.505 5.032 4.527 -0.000 0.000 0.360 36 F C 1.484 177.127 175.800 -0.262 0.000 1.101 36 F CA 0.074 57.950 58.000 -0.207 0.000 1.251 36 F CB 0.636 39.561 39.000 -0.125 0.000 1.132 36 F HN -0.053 nan 8.300 nan 0.000 0.570 37 R N 3.088 123.472 120.500 -0.193 0.000 2.198 37 R HA 0.449 4.789 4.340 -0.001 0.000 0.339 37 R C -1.030 175.043 176.300 -0.378 0.000 1.020 37 R CA -0.713 55.089 56.100 -0.496 0.000 0.864 37 R CB 1.040 30.576 30.300 -1.274 0.000 1.105 37 R HN 0.514 nan 8.270 nan 0.000 0.463 38 V N 0.687 120.589 119.914 -0.021 0.000 2.532 38 V HA 0.509 4.628 4.120 -0.001 0.000 0.295 38 V C 0.069 176.311 176.094 0.247 0.000 1.041 38 V CA -0.807 61.550 62.300 0.095 0.000 0.926 38 V CB 1.929 33.811 31.823 0.099 0.000 0.992 38 V HN 0.315 nan 8.190 nan 0.000 0.457 39 V N 5.246 125.310 119.914 0.251 0.000 2.333 39 V HA 0.296 4.416 4.120 -0.001 0.000 0.274 39 V C 0.227 176.428 176.094 0.179 0.000 1.028 39 V CA -0.440 62.012 62.300 0.254 0.000 0.851 39 V CB 1.309 33.281 31.823 0.248 0.000 1.000 39 V HN 0.785 nan 8.190 nan 0.000 0.456 40 V N 5.860 125.872 119.914 0.164 0.000 2.389 40 V HA 0.180 4.300 4.120 -0.001 0.000 0.264 40 V C 0.427 176.662 176.094 0.235 0.000 1.049 40 V CA -0.363 62.031 62.300 0.156 0.000 0.932 40 V CB 0.284 32.164 31.823 0.095 0.000 1.011 40 V HN 0.882 nan 8.190 nan 0.000 0.475 41 H N 6.453 125.610 119.070 0.145 0.000 2.481 41 H HA 0.521 5.076 4.556 -0.001 0.000 0.339 41 H C -1.075 174.376 175.328 0.206 0.000 1.131 41 H CA -0.300 55.830 56.048 0.136 0.000 1.301 41 H CB 1.589 31.384 29.762 0.056 0.000 1.476 41 H HN 0.670 nan 8.280 nan 0.000 0.529 42 Y N 2.205 122.014 120.300 -0.819 0.000 2.670 42 Y HA 0.371 4.920 4.550 -0.001 0.000 0.334 42 Y C 0.171 175.723 175.900 -0.581 0.000 1.185 42 Y CA -1.175 56.590 58.100 -0.557 0.000 1.053 42 Y CB 1.057 39.400 38.460 -0.194 0.000 1.298 42 Y HN 0.576 nan 8.280 nan 0.000 0.459 43 R N -0.900 119.389 120.500 -0.353 0.000 2.342 43 R HA 0.179 4.519 4.340 -0.001 0.000 0.179 43 R C 0.565 176.793 176.300 -0.120 0.000 0.989 43 R CA 0.413 56.281 56.100 -0.386 0.000 1.125 43 R CB 0.167 30.250 30.300 -0.363 0.000 1.211 43 R HN 0.895 nan 8.270 nan 0.000 0.568 44 H N -0.440 118.711 119.070 0.134 0.000 2.729 44 H HA 0.343 4.899 4.556 -0.000 0.000 0.263 44 H C 0.250 175.688 175.328 0.184 0.000 0.961 44 H CA 0.219 56.357 56.048 0.151 0.000 1.217 44 H CB 0.826 30.643 29.762 0.092 0.000 1.447 44 H HN 0.013 nan 8.280 nan 0.000 0.496 45 S N 2.456 118.348 115.700 0.319 0.000 3.811 45 S HA -0.013 4.457 4.470 -0.001 0.000 0.205 45 S C 1.651 176.196 174.600 -0.092 0.000 1.445 45 S CA -0.122 58.157 58.200 0.132 0.000 1.097 45 S CB 0.402 63.661 63.200 0.098 0.000 1.350 45 S HN 0.388 nan 8.310 nan 0.000 0.471 46 E N 2.458 122.603 120.200 -0.090 0.000 2.077 46 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 46 E C 2.067 178.466 176.600 -0.335 0.000 0.989 46 E CA 1.328 57.467 56.400 -0.435 0.000 0.800 46 E CB -0.311 29.395 29.700 0.010 0.000 0.746 46 E HN 0.642 nan 8.360 nan 0.000 0.452 47 G N 0.910 109.623 108.800 -0.146 0.000 2.421 47 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.216 47 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.216 47 G C 1.732 176.565 174.900 -0.111 0.000 1.171 47 G CA 1.308 46.345 45.100 -0.104 0.000 0.775 47 G HN 0.423 nan 8.290 nan 0.000 0.543 48 A N 1.103 123.864 122.820 -0.098 0.000 1.933 48 A HA 0.254 4.574 4.320 -0.001 0.000 0.218 48 A C 2.789 180.327 177.584 -0.078 0.000 1.175 48 A CA 2.252 54.256 52.037 -0.055 0.000 0.628 48 A CB -0.702 18.288 19.000 -0.016 0.000 0.814 48 A HN 0.770 nan 8.150 nan 0.000 0.444 49 A N -0.782 121.911 122.820 -0.211 0.000 1.898 49 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 49 A C 2.126 179.603 177.584 -0.179 0.000 1.181 49 A CA 1.633 53.520 52.037 -0.250 0.000 0.620 49 A CB -0.538 18.085 19.000 -0.628 0.000 0.819 49 A HN 0.637 nan 8.150 nan 0.000 0.442 50 Q N -0.763 118.919 119.800 -0.196 0.000 2.084 50 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 50 Q C 2.350 178.312 176.000 -0.064 0.000 0.978 50 Q CA 1.415 57.151 55.803 -0.111 0.000 0.844 50 Q CB -0.164 28.514 28.738 -0.100 0.000 0.898 50 Q HN 0.581 nan 8.270 nan 0.000 0.426 51 R N 0.073 120.540 120.500 -0.054 0.000 2.120 51 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 51 R C 2.217 178.510 176.300 -0.012 0.000 1.123 51 R CA 0.843 56.929 56.100 -0.023 0.000 0.975 51 R CB -0.226 30.069 30.300 -0.009 0.000 0.866 51 R HN 0.190 nan 8.270 nan 0.000 0.446 52 L N 0.302 121.515 121.223 -0.016 0.000 2.095 52 L HA -0.071 4.268 4.340 -0.001 0.000 0.204 52 L C 1.990 178.811 176.870 -0.081 0.000 1.080 52 L CA 1.428 56.244 54.840 -0.040 0.000 0.759 52 L CB -0.237 41.780 42.059 -0.071 0.000 0.914 52 L HN -0.151 nan 8.230 nan 0.000 0.439 53 V N 0.311 120.189 119.914 -0.060 0.000 2.270 53 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 53 V C 2.836 178.906 176.094 -0.039 0.000 1.043 53 V CA 1.652 63.927 62.300 -0.042 0.000 1.014 53 V CB -1.338 30.479 31.823 -0.009 0.000 0.645 53 V HN 0.595 nan 8.190 nan 0.000 0.447 54 A N -0.387 122.415 122.820 -0.030 0.000 1.892 54 A HA -0.329 3.991 4.320 -0.001 0.000 0.218 54 A C 2.282 179.849 177.584 -0.029 0.000 1.188 54 A CA 2.299 54.324 52.037 -0.020 0.000 0.631 54 A CB -0.652 18.338 19.000 -0.016 0.000 0.822 54 A HN 0.644 nan 8.150 nan 0.000 0.447 55 E N -0.347 119.829 120.200 -0.040 0.000 2.118 55 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 55 E C 1.925 178.471 176.600 -0.091 0.000 0.992 55 E CA 1.228 57.600 56.400 -0.046 0.000 0.804 55 E CB -0.187 29.492 29.700 -0.035 0.000 0.741 55 E HN 0.659 nan 8.360 nan 0.000 0.458 56 L N 0.621 121.749 121.223 -0.159 0.000 2.131 56 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 56 L C 2.293 179.070 176.870 -0.155 0.000 1.087 56 L CA 0.552 55.194 54.840 -0.331 0.000 0.767 56 L CB -0.410 41.352 42.059 -0.495 0.000 0.917 56 L HN 0.153 nan 8.230 nan 0.000 0.441 57 N N 0.536 119.210 118.700 -0.043 0.000 2.188 57 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 57 N C 1.905 177.438 175.510 0.038 0.000 1.018 57 N CA 1.390 54.462 53.050 0.037 0.000 0.858 57 N CB -0.152 38.359 38.487 0.041 0.000 0.989 57 N HN 0.266 nan 8.380 nan 0.000 0.426 58 A N 1.024 123.851 122.820 0.011 0.000 1.948 58 A HA -0.097 4.223 4.320 -0.001 0.000 0.220 58 A C 2.291 179.895 177.584 0.034 0.000 1.177 58 A CA 2.067 54.115 52.037 0.018 0.000 0.636 58 A CB -0.641 18.362 19.000 0.005 0.000 0.815 58 A HN 0.341 nan 8.150 nan 0.000 0.449 59 A N -1.773 121.074 122.820 0.045 0.000 2.016 59 A HA 0.225 4.545 4.320 -0.001 0.000 0.217 59 A C 1.209 178.863 177.584 0.116 0.000 1.162 59 A CA 0.568 52.657 52.037 0.086 0.000 0.662 59 A CB 0.085 19.160 19.000 0.126 0.000 0.812 59 A HN 0.406 nan 8.150 nan 0.000 0.450 60 R N -0.961 119.620 120.500 0.135 0.000 2.867 60 R HA 0.389 4.729 4.340 -0.001 0.000 0.288 60 R C -0.729 175.641 176.300 0.117 0.000 1.360 60 R CA -0.039 56.134 56.100 0.121 0.000 1.042 60 R CB 1.264 31.645 30.300 0.134 0.000 1.287 60 R HN 0.321 nan 8.270 nan 0.000 0.404 61 A N 0.949 123.817 122.820 0.081 0.000 2.587 61 A HA 0.319 4.639 4.320 -0.001 0.000 0.233 61 A C 1.343 178.990 177.584 0.106 0.000 1.049 61 A CA 1.298 53.381 52.037 0.078 0.000 0.754 61 A CB -0.150 18.884 19.000 0.055 0.000 0.977 61 A HN 1.071 nan 8.150 nan 0.000 0.509 62 G N 1.074 109.944 108.800 0.117 0.000 2.321 62 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.287 62 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.287 62 G C 0.810 175.881 174.900 0.286 0.000 1.018 62 G CA 1.325 46.526 45.100 0.169 0.000 0.855 62 G HN 2.204 nan 8.290 nan 0.000 0.507 63 S N -2.281 113.575 115.700 0.260 0.000 2.523 63 S HA 0.731 5.200 4.470 -0.001 0.000 0.217 63 S C 0.874 175.671 174.600 0.328 0.000 0.996 63 S CA 1.035 59.394 58.200 0.265 0.000 0.921 63 S CB 0.875 64.254 63.200 0.297 0.000 0.829 63 S HN 1.899 nan 8.310 nan 0.000 0.495 64 A N 0.499 123.518 122.820 0.332 0.000 2.515 64 A HA 0.841 5.161 4.320 -0.001 0.000 0.298 64 A C -1.043 176.684 177.584 0.239 0.000 1.059 64 A CA -0.676 51.538 52.037 0.294 0.000 0.698 64 A CB 1.996 21.059 19.000 0.105 0.000 1.289 64 A HN 0.733 nan 8.150 nan 0.000 0.404 65 V N 2.085 122.133 119.914 0.223 0.000 3.159 65 V HA 0.797 4.916 4.120 -0.001 0.000 0.308 65 V C -1.669 174.494 176.094 0.115 0.000 1.190 65 V CA -0.652 61.709 62.300 0.103 0.000 1.037 65 V CB 2.079 33.892 31.823 -0.017 0.000 1.060 65 V HN 1.024 nan 8.190 nan 0.000 0.437 66 L N 2.823 124.106 121.223 0.100 0.000 2.332 66 L HA 0.886 5.225 4.340 -0.001 0.000 0.269 66 L C -0.706 176.270 176.870 0.175 0.000 1.016 66 L CA -0.065 54.869 54.840 0.158 0.000 0.809 66 L CB 1.667 43.816 42.059 0.150 0.000 1.280 66 L HN 0.921 nan 8.230 nan 0.000 0.447 67 C N 3.233 122.674 119.300 0.235 0.000 2.924 67 C HA 0.389 4.849 4.460 -0.001 0.000 0.400 67 C C -0.826 174.100 174.990 -0.106 0.000 1.032 67 C CA -1.136 57.952 59.018 0.116 0.000 1.236 67 C CB 0.618 28.441 27.740 0.140 0.000 1.660 67 C HN 0.883 nan 8.230 nan 0.000 0.510 68 K N 3.472 123.703 120.400 -0.281 0.000 2.130 68 K HA 0.781 5.101 4.320 -0.001 0.000 0.268 68 K C -0.072 176.356 176.600 -0.287 0.000 0.983 68 K CA 0.127 55.997 56.287 -0.694 0.000 0.893 68 K CB 1.460 33.578 32.500 -0.637 0.000 1.066 68 K HN 1.133 nan 8.250 nan 0.000 0.450 69 G N 2.597 111.232 108.800 -0.275 0.000 2.476 69 G HA2 0.087 4.047 3.960 -0.001 0.000 0.309 69 G HA3 0.087 4.047 3.960 -0.001 0.000 0.309 69 G C -2.021 172.916 174.900 0.062 0.000 1.575 69 G CA -0.844 44.247 45.100 -0.015 0.000 0.913 69 G HN 0.656 nan 8.290 nan 0.000 0.623 70 D N 1.097 121.506 120.400 0.015 0.000 2.308 70 D HA 0.400 5.039 4.640 -0.001 0.000 0.251 70 D C 1.159 177.499 176.300 0.066 0.000 1.127 70 D CA -0.352 53.659 54.000 0.018 0.000 0.876 70 D CB 1.104 41.905 40.800 0.001 0.000 1.176 70 D HN 0.191 nan 8.370 nan 0.000 0.446 71 L N 2.314 123.580 121.223 0.073 0.000 2.872 71 L HA 0.243 4.583 4.340 -0.001 0.000 0.245 71 L C 0.384 177.294 176.870 0.067 0.000 1.211 71 L CA -0.321 54.557 54.840 0.063 0.000 1.013 71 L CB 0.007 42.084 42.059 0.029 0.000 1.326 71 L HN 0.218 nan 8.230 nan 0.000 0.525 72 S N 0.606 116.351 115.700 0.075 0.000 2.603 72 S HA 0.394 4.864 4.470 -0.001 0.000 0.268 72 S C 0.282 174.936 174.600 0.090 0.000 1.317 72 S CA -0.599 57.653 58.200 0.086 0.000 1.012 72 S CB 1.086 64.341 63.200 0.091 0.000 0.926 72 S HN 0.136 nan 8.310 nan 0.000 0.539 73 L N 2.815 124.093 121.223 0.091 0.000 2.499 73 L HA 0.282 4.622 4.340 -0.001 0.000 0.273 73 L C 0.677 177.599 176.870 0.086 0.000 1.195 73 L CA 0.133 55.026 54.840 0.089 0.000 0.882 73 L CB -0.156 41.944 42.059 0.069 0.000 1.133 73 L HN 0.901 nan 8.230 nan 0.000 0.483 74 S N 0.295 116.054 115.700 0.098 0.000 2.656 74 S HA 0.194 4.664 4.470 -0.001 0.000 0.265 74 S C 0.270 174.918 174.600 0.080 0.000 1.132 74 S CA -0.335 57.911 58.200 0.077 0.000 0.819 74 S CB 1.068 64.309 63.200 0.067 0.000 1.119 74 S HN 0.373 nan 8.310 nan 0.000 0.476 75 S N 0.975 116.708 115.700 0.054 0.000 2.423 75 S HA 0.011 4.480 4.470 -0.001 0.000 0.231 75 S C 1.561 176.180 174.600 0.032 0.000 1.014 75 S CA 1.361 59.584 58.200 0.039 0.000 0.965 75 S CB -0.490 62.725 63.200 0.025 0.000 0.785 75 S HN 0.678 nan 8.310 nan 0.000 0.495 76 S N 1.482 117.206 115.700 0.039 0.000 2.501 76 S HA 0.160 4.629 4.470 -0.001 0.000 0.220 76 S C 1.615 176.242 174.600 0.045 0.000 0.997 76 S CA -0.038 58.180 58.200 0.031 0.000 0.919 76 S CB -0.227 62.992 63.200 0.031 0.000 0.778 76 S HN 0.302 nan 8.310 nan 0.000 0.523 77 L N 2.197 123.476 121.223 0.092 0.000 2.021 77 L HA -0.127 4.213 4.340 -0.001 0.000 0.215 77 L C 2.050 178.997 176.870 0.129 0.000 1.074 77 L CA 1.621 56.558 54.840 0.160 0.000 0.760 77 L CB -0.836 41.387 42.059 0.274 0.000 0.889 77 L HN 0.316 nan 8.230 nan 0.000 0.433 78 L N -0.495 120.704 121.223 -0.041 0.000 2.012 78 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 78 L C 2.135 178.900 176.870 -0.175 0.000 1.073 78 L CA 2.106 56.719 54.840 -0.378 0.000 0.748 78 L CB -1.055 40.675 42.059 -0.547 0.000 0.891 78 L HN 0.377 nan 8.230 nan 0.000 0.431 79 D N -1.206 119.139 120.400 -0.091 0.000 2.144 79 D HA -0.214 4.426 4.640 -0.001 0.000 0.200 79 D C 2.338 178.632 176.300 -0.011 0.000 0.978 79 D CA 1.473 55.443 54.000 -0.050 0.000 0.833 79 D CB -0.531 40.250 40.800 -0.032 0.000 0.961 79 D HN 0.557 nan 8.370 nan 0.000 0.470 80 C N 0.635 119.943 119.300 0.014 0.000 2.432 80 C HA -0.167 4.293 4.460 -0.001 0.000 0.277 80 C C 3.085 178.104 174.990 0.049 0.000 1.249 80 C CA 0.660 59.701 59.018 0.037 0.000 1.725 80 C CB -1.123 26.650 27.740 0.054 0.000 2.028 80 C HN 0.398 nan 8.230 nan 0.000 0.477 81 C N 0.484 119.822 119.300 0.064 0.000 2.432 81 C HA -0.033 4.426 4.460 -0.001 0.000 0.280 81 C C 2.604 177.636 174.990 0.070 0.000 1.353 81 C CA 0.714 59.782 59.018 0.082 0.000 1.766 81 C CB -1.260 26.579 27.740 0.165 0.000 1.924 81 C HN 0.637 nan 8.230 nan 0.000 0.509 82 E N 1.342 121.563 120.200 0.035 0.000 2.051 82 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 82 E C 1.682 178.317 176.600 0.058 0.000 0.991 82 E CA 1.315 57.735 56.400 0.033 0.000 0.799 82 E CB -0.515 29.180 29.700 -0.010 0.000 0.748 82 E HN 0.626 nan 8.360 nan 0.000 0.449 83 D N 0.980 121.409 120.400 0.047 0.000 2.117 83 D HA -0.139 4.501 4.640 -0.001 0.000 0.197 83 D C 1.974 178.324 176.300 0.082 0.000 0.987 83 D CA 0.339 54.373 54.000 0.057 0.000 0.829 83 D CB -0.267 40.558 40.800 0.041 0.000 0.961 83 D HN 0.122 nan 8.370 nan 0.000 0.460 84 I N 1.289 121.909 120.570 0.084 0.000 2.264 84 I HA -0.222 3.948 4.170 -0.001 0.000 0.248 84 I C 1.802 177.996 176.117 0.128 0.000 1.111 84 I CA 1.026 62.385 61.300 0.098 0.000 1.382 84 I CB -0.214 37.824 38.000 0.063 0.000 1.060 84 I HN -0.101 nan 8.210 nan 0.000 0.418 85 I N 0.735 121.397 120.570 0.153 0.000 2.333 85 I HA -0.213 3.957 4.170 -0.001 0.000 0.246 85 I C 2.292 178.587 176.117 0.296 0.000 1.106 85 I CA 1.287 62.726 61.300 0.233 0.000 1.411 85 I CB -1.561 36.600 38.000 0.269 0.000 1.082 85 I HN 0.217 nan 8.210 nan 0.000 0.420 86 D N 0.338 120.876 120.400 0.229 0.000 2.182 86 D HA -0.224 4.416 4.640 -0.001 0.000 0.201 86 D C 2.436 178.855 176.300 0.199 0.000 0.986 86 D CA 1.050 55.188 54.000 0.230 0.000 0.847 86 D CB -0.069 40.797 40.800 0.109 0.000 0.942 86 D HN 0.326 nan 8.370 nan 0.000 0.467 87 C N -0.636 118.745 119.300 0.134 0.000 2.413 87 C HA -0.116 4.344 4.460 -0.001 0.000 0.276 87 C C 2.909 177.922 174.990 0.039 0.000 1.248 87 C CA 1.669 60.730 59.018 0.072 0.000 1.742 87 C CB -1.504 26.280 27.740 0.073 0.000 2.017 87 C HN 0.411 nan 8.230 nan 0.000 0.481 88 S N -0.960 114.795 115.700 0.091 0.000 2.382 88 S HA -0.110 4.359 4.470 -0.001 0.000 0.228 88 S C 1.548 176.120 174.600 -0.046 0.000 1.027 88 S CA 1.735 59.974 58.200 0.064 0.000 0.991 88 S CB -0.491 62.724 63.200 0.026 0.000 0.823 88 S HN 0.646 nan 8.310 nan 0.000 0.469 89 F N 1.661 121.656 119.950 0.076 0.000 2.187 89 F HA 0.172 4.699 4.527 -0.001 0.000 0.295 89 F C 2.652 178.452 175.800 -0.001 0.000 1.091 89 F CA 0.711 58.740 58.000 0.050 0.000 1.308 89 F CB -0.289 38.728 39.000 0.028 0.000 1.030 89 F HN 0.041 nan 8.300 nan 0.000 0.487 90 R N 0.334 120.917 120.500 0.138 0.000 2.073 90 R HA -0.087 4.253 4.340 -0.001 0.000 0.234 90 R C 2.313 178.568 176.300 -0.075 0.000 1.134 90 R CA 1.401 57.522 56.100 0.035 0.000 0.952 90 R CB -1.437 28.870 30.300 0.011 0.000 0.850 90 R HN 0.310 nan 8.270 nan 0.000 0.433 91 A N -0.425 122.254 122.820 -0.235 0.000 1.930 91 A HA -0.003 4.317 4.320 -0.001 0.000 0.215 91 A C 1.230 178.445 177.584 -0.616 0.000 1.176 91 A CA 0.959 52.661 52.037 -0.558 0.000 0.632 91 A CB -0.075 18.332 19.000 -0.988 0.000 0.819 91 A HN 0.260 nan 8.150 nan 0.000 0.445 92 F N -1.950 118.003 119.950 0.005 0.000 2.798 92 F HA 0.404 4.930 4.527 -0.001 0.000 0.328 92 F C 1.653 177.443 175.800 -0.016 0.000 1.098 92 F CA -0.184 57.807 58.000 -0.015 0.000 1.172 92 F CB 0.019 38.994 39.000 -0.042 0.000 1.072 92 F HN 0.292 nan 8.300 nan 0.000 0.555 93 G N 1.800 110.690 108.800 0.151 0.000 2.166 93 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.260 93 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.260 93 G C 0.255 175.261 174.900 0.177 0.000 0.986 93 G CA 0.553 45.771 45.100 0.196 0.000 0.683 93 G HN 0.633 nan 8.290 nan 0.000 0.527 94 R N -2.789 117.626 120.500 -0.142 0.000 2.765 94 R HA 0.667 5.007 4.340 -0.001 0.000 0.277 94 R C -1.383 174.495 176.300 -0.703 0.000 1.028 94 R CA -0.507 55.346 56.100 -0.411 0.000 0.860 94 R CB 0.597 30.854 30.300 -0.071 0.000 1.270 94 R HN 0.793 nan 8.270 nan 0.000 0.484 95 C N 1.673 120.602 119.300 -0.618 0.000 2.727 95 C HA 0.457 4.917 4.460 -0.001 0.000 0.369 95 C C -0.688 174.318 174.990 0.026 0.000 1.067 95 C CA -0.311 58.543 59.018 -0.273 0.000 1.273 95 C CB 0.793 28.324 27.740 -0.348 0.000 1.778 95 C HN 1.031 nan 8.230 nan 0.000 0.467 96 D N 2.293 122.814 120.400 0.201 0.000 2.422 96 D HA 0.253 4.893 4.640 -0.001 0.000 0.218 96 D C -0.017 176.536 176.300 0.422 0.000 1.047 96 D CA 0.471 54.653 54.000 0.303 0.000 0.885 96 D CB 0.627 41.571 40.800 0.240 0.000 1.035 96 D HN 0.356 nan 8.370 nan 0.000 0.502 97 V N 1.250 121.332 119.914 0.280 0.000 2.789 97 V HA 0.485 4.604 4.120 -0.001 0.000 0.311 97 V C -1.490 174.529 176.094 -0.126 0.000 1.073 97 V CA -0.996 61.303 62.300 -0.001 0.000 0.921 97 V CB 2.688 34.388 31.823 -0.205 0.000 1.009 97 V HN -0.029 nan 8.190 nan 0.000 0.426 98 L N 5.649 126.658 121.223 -0.357 0.000 2.381 98 L HA 0.794 5.134 4.340 -0.001 0.000 0.274 98 L C -1.028 175.688 176.870 -0.256 0.000 0.988 98 L CA -0.150 54.489 54.840 -0.335 0.000 0.824 98 L CB 2.022 43.731 42.059 -0.583 0.000 1.263 98 L HN 0.413 nan 8.230 nan 0.000 0.410 99 V N 5.035 124.847 119.914 -0.170 0.000 2.349 99 V HA 0.453 4.572 4.120 -0.001 0.000 0.284 99 V C -0.267 175.766 176.094 -0.103 0.000 1.014 99 V CA -0.702 61.516 62.300 -0.136 0.000 0.826 99 V CB 1.250 33.003 31.823 -0.117 0.000 1.009 99 V HN 0.721 nan 8.190 nan 0.000 0.431 100 N N 3.897 122.533 118.700 -0.105 0.000 2.555 100 N HA 0.108 4.848 4.740 -0.001 0.000 0.244 100 N C 0.717 176.191 175.510 -0.061 0.000 1.114 100 N CA 0.116 53.114 53.050 -0.087 0.000 0.963 100 N CB 0.970 39.400 38.487 -0.094 0.000 1.276 100 N HN 0.761 nan 8.380 nan 0.000 0.510 101 N N 1.531 120.209 118.700 -0.036 0.000 2.482 101 N HA 0.053 4.793 4.740 -0.001 0.000 0.179 101 N C 0.252 175.771 175.510 0.016 0.000 1.039 101 N CA -0.128 52.916 53.050 -0.010 0.000 0.884 101 N CB 0.231 38.722 38.487 0.007 0.000 1.113 101 N HN 0.406 nan 8.380 nan 0.000 0.440 102 A N 0.312 123.153 122.820 0.034 0.000 2.587 102 A HA 0.350 4.670 4.320 -0.001 0.000 0.235 102 A C 0.074 177.689 177.584 0.051 0.000 1.044 102 A CA 0.682 52.761 52.037 0.071 0.000 0.754 102 A CB -0.267 18.788 19.000 0.091 0.000 0.968 102 A HN 0.341 nan 8.150 nan 0.000 0.509 103 S N 1.181 116.928 115.700 0.078 0.000 2.584 103 S HA 0.583 5.053 4.470 -0.001 0.000 0.280 103 S C -0.543 174.137 174.600 0.134 0.000 1.162 103 S CA 0.028 58.283 58.200 0.092 0.000 0.951 103 S CB 0.735 63.989 63.200 0.090 0.000 1.108 103 S HN 2.098 nan 8.310 nan 0.000 0.464 104 A N 3.300 126.203 122.820 0.139 0.000 2.316 104 A HA 0.775 5.095 4.320 -0.001 0.000 0.284 104 A C -1.096 176.585 177.584 0.162 0.000 1.115 104 A CA -0.356 51.773 52.037 0.152 0.000 0.812 104 A CB 0.484 19.552 19.000 0.112 0.000 1.064 104 A HN 1.412 nan 8.150 nan 0.000 0.489 105 Y N 2.376 122.642 120.300 -0.057 0.000 2.287 105 Y HA 0.505 5.055 4.550 -0.000 0.000 0.325 105 Y C -1.654 174.262 175.900 0.026 0.000 1.139 105 Y CA -0.926 57.083 58.100 -0.152 0.000 1.167 105 Y CB 1.030 39.384 38.460 -0.178 0.000 1.158 105 Y HN 0.889 nan 8.280 nan 0.000 0.434 106 Y N 4.419 124.599 120.300 -0.200 0.000 2.662 106 Y HA 0.754 5.304 4.550 -0.000 0.000 0.334 106 Y C -3.288 172.187 175.900 -0.709 0.000 1.185 106 Y CA -3.063 54.843 58.100 -0.323 0.000 1.074 106 Y CB 0.645 39.012 38.460 -0.155 0.000 1.330 106 Y HN 0.303 nan 8.280 nan 0.000 0.458 107 P HA 0.229 nan 4.420 nan 0.000 0.272 107 P C -0.306 176.793 177.300 -0.334 0.000 1.223 107 P CA -0.016 62.454 63.100 -1.050 0.000 0.784 107 P CB 1.278 32.447 31.700 -0.884 0.000 0.923 108 T N -1.973 112.410 114.554 -0.284 0.000 3.631 108 T HA 0.286 4.635 4.350 -0.001 0.000 0.256 108 T C -2.482 172.176 174.700 -0.071 0.000 1.187 108 T CA -1.673 60.377 62.100 -0.084 0.000 1.667 108 T CB -0.121 68.743 68.868 -0.007 0.000 0.804 108 T HN 0.257 nan 8.240 nan 0.000 0.639 109 P HA 0.167 nan 4.420 nan 0.000 0.265 109 P C 1.055 178.347 177.300 -0.013 0.000 1.193 109 P CA -0.426 62.649 63.100 -0.042 0.000 0.765 109 P CB 1.357 33.031 31.700 -0.043 0.000 0.823 110 L N 1.679 122.902 121.223 0.001 0.000 2.056 110 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 110 L C 1.211 178.083 176.870 0.004 0.000 1.078 110 L CA 1.023 55.867 54.840 0.007 0.000 0.749 110 L CB -0.357 41.710 42.059 0.013 0.000 0.901 110 L HN 0.344 nan 8.230 nan 0.000 0.433 111 L N 0.786 122.010 121.223 0.002 0.000 2.307 111 L HA 0.344 4.684 4.340 -0.001 0.000 0.282 111 L C -1.447 175.421 176.870 -0.003 0.000 1.051 111 L CA -1.569 53.271 54.840 0.001 0.000 0.804 111 L CB 0.166 42.227 42.059 0.003 0.000 1.197 111 L HN 0.016 nan 8.230 nan 0.000 0.431 124 P HA 0.003 nan 4.420 nan 0.000 0.264 124 P C 0.622 177.942 177.300 0.033 0.000 1.183 124 P CA -0.279 62.829 63.100 0.014 0.000 0.763 124 P CB 0.429 32.138 31.700 0.015 0.000 0.807 125 I N 2.615 123.204 120.570 0.032 0.000 2.264 125 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 125 I C 1.369 177.521 176.117 0.059 0.000 1.111 125 I CA 1.859 63.188 61.300 0.049 0.000 1.382 125 I CB -0.305 37.716 38.000 0.035 0.000 1.060 125 I HN 0.310 nan 8.210 nan 0.000 0.418 126 D N 0.962 121.386 120.400 0.040 0.000 2.092 126 D HA -0.181 4.458 4.640 -0.001 0.000 0.193 126 D C 2.196 178.531 176.300 0.058 0.000 0.994 126 D CA 1.759 55.781 54.000 0.036 0.000 0.828 126 D CB -0.405 40.409 40.800 0.022 0.000 0.963 126 D HN 0.510 nan 8.370 nan 0.000 0.450 127 A N 0.711 123.568 122.820 0.062 0.000 2.067 127 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 127 A C 2.107 179.769 177.584 0.131 0.000 1.158 127 A CA 1.159 53.245 52.037 0.081 0.000 0.661 127 A CB -0.408 18.629 19.000 0.061 0.000 0.801 127 A HN 0.237 nan 8.150 nan 0.000 0.452 128 Q N -0.435 119.455 119.800 0.150 0.000 2.096 128 Q HA -0.085 4.255 4.340 -0.001 0.000 0.197 128 Q C 2.229 178.361 176.000 0.221 0.000 0.964 128 Q CA 1.678 57.630 55.803 0.248 0.000 0.838 128 Q CB -0.436 28.459 28.738 0.262 0.000 0.906 128 Q HN 0.726 nan 8.270 nan 0.000 0.444 129 V N -1.648 118.375 119.914 0.182 0.000 2.515 129 V HA -0.106 4.014 4.120 -0.001 0.000 0.250 129 V C 2.121 178.348 176.094 0.223 0.000 1.058 129 V CA 1.598 64.041 62.300 0.239 0.000 1.064 129 V CB -1.019 30.872 31.823 0.114 0.000 0.675 129 V HN 0.250 nan 8.190 nan 0.000 0.461 130 A N 0.507 123.414 122.820 0.144 0.000 1.877 130 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 130 A C 2.352 180.025 177.584 0.149 0.000 1.186 130 A CA 2.047 54.158 52.037 0.123 0.000 0.620 130 A CB -0.625 18.430 19.000 0.092 0.000 0.822 130 A HN 0.728 nan 8.150 nan 0.000 0.443 131 E N -0.433 119.868 120.200 0.169 0.000 2.112 131 E HA -0.044 4.306 4.350 -0.001 0.000 0.190 131 E C 1.929 178.610 176.600 0.135 0.000 0.979 131 E CA 0.587 57.088 56.400 0.168 0.000 0.814 131 E CB -0.136 29.703 29.700 0.232 0.000 0.762 131 E HN 0.602 nan 8.360 nan 0.000 0.460 132 L N -0.301 120.992 121.223 0.117 0.000 2.072 132 L HA -0.071 4.268 4.340 -0.001 0.000 0.205 132 L C 2.160 179.017 176.870 -0.021 0.000 1.079 132 L CA 0.821 55.667 54.840 0.011 0.000 0.752 132 L CB -0.259 41.769 42.059 -0.051 0.000 0.906 132 L HN 0.172 nan 8.230 nan 0.000 0.436 133 F N -0.106 119.841 119.950 -0.006 0.000 2.293 133 F HA -0.010 4.516 4.527 -0.001 0.000 0.297 133 F C 2.358 178.128 175.800 -0.050 0.000 1.089 133 F CA 1.103 59.084 58.000 -0.033 0.000 1.377 133 F CB -0.572 38.409 39.000 -0.033 0.000 1.051 133 F HN -0.018 nan 8.300 nan 0.000 0.511 134 G N -0.502 108.388 108.800 0.151 0.000 2.434 134 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.214 134 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.214 134 G C 1.822 176.730 174.900 0.014 0.000 1.202 134 G CA 1.062 46.199 45.100 0.062 0.000 0.788 134 G HN 0.408 nan 8.290 nan 0.000 0.539 135 S N 0.734 116.452 115.700 0.029 0.000 2.383 135 S HA -0.069 4.401 4.470 -0.001 0.000 0.227 135 S C 1.990 176.576 174.600 -0.024 0.000 1.026 135 S CA 1.392 59.600 58.200 0.013 0.000 0.981 135 S CB -0.318 62.912 63.200 0.050 0.000 0.818 135 S HN 0.342 nan 8.310 nan 0.000 0.472 136 N N 1.306 119.975 118.700 -0.052 0.000 2.415 136 N HA 0.298 5.037 4.740 -0.001 0.000 0.176 136 N C 1.405 176.834 175.510 -0.135 0.000 1.042 136 N CA 1.095 54.081 53.050 -0.105 0.000 0.902 136 N CB 0.224 38.607 38.487 -0.173 0.000 0.986 136 N HN 0.641 nan 8.380 nan 0.000 0.447 137 A N -0.300 122.450 122.820 -0.117 0.000 1.852 137 A HA 0.197 4.517 4.320 -0.001 0.000 0.205 137 A C 2.024 179.539 177.584 -0.114 0.000 1.757 137 A CA 0.029 52.005 52.037 -0.101 0.000 1.088 137 A CB -0.134 18.822 19.000 -0.073 0.000 1.079 137 A HN -0.026 nan 8.150 nan 0.000 0.524 138 V N 0.866 120.706 119.914 -0.123 0.000 2.379 138 V HA -0.111 4.008 4.120 -0.001 0.000 0.245 138 V C 2.977 178.797 176.094 -0.456 0.000 1.044 138 V CA 2.019 64.119 62.300 -0.334 0.000 1.036 138 V CB -1.035 30.595 31.823 -0.321 0.000 0.664 138 V HN 0.569 nan 8.190 nan 0.000 0.453 139 A N 0.594 123.287 122.820 -0.212 0.000 1.877 139 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 139 A C 0.550 178.094 177.584 -0.066 0.000 1.186 139 A CA 1.875 53.858 52.037 -0.090 0.000 0.620 139 A CB -1.866 17.116 19.000 -0.029 0.000 0.822 139 A HN 0.504 nan 8.150 nan 0.000 0.443 140 P HA -0.183 nan 4.420 nan 0.000 0.216 140 P C 1.709 178.981 177.300 -0.047 0.000 1.153 140 P CA 1.210 64.268 63.100 -0.071 0.000 0.858 140 P CB -0.093 31.555 31.700 -0.087 0.000 0.789 141 L N -1.604 119.564 121.223 -0.093 0.000 1.994 141 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 141 L C 2.116 179.053 176.870 0.111 0.000 1.071 141 L CA 2.099 56.910 54.840 -0.049 0.000 0.745 141 L CB -1.466 40.498 42.059 -0.158 0.000 0.892 141 L HN -0.158 nan 8.230 nan 0.000 0.431 142 F N -0.769 119.191 119.950 0.017 0.000 2.161 142 F HA -0.180 4.347 4.527 -0.001 0.000 0.300 142 F C 2.280 178.100 175.800 0.034 0.000 1.089 142 F CA 0.745 58.759 58.000 0.024 0.000 1.282 142 F CB -1.222 37.789 39.000 0.019 0.000 1.010 142 F HN 0.101 nan 8.300 nan 0.000 0.485 143 L N -0.069 121.279 121.223 0.209 0.000 2.005 143 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 143 L C 2.478 179.440 176.870 0.154 0.000 1.072 143 L CA 1.451 56.374 54.840 0.139 0.000 0.744 143 L CB -1.381 40.707 42.059 0.047 0.000 0.895 143 L HN 0.088 nan 8.230 nan 0.000 0.433 144 I N -0.895 119.736 120.570 0.101 0.000 2.208 144 I HA -0.348 3.821 4.170 -0.001 0.000 0.245 144 I C 2.745 178.979 176.117 0.195 0.000 1.097 144 I CA 1.153 62.517 61.300 0.107 0.000 1.363 144 I CB -0.276 37.746 38.000 0.037 0.000 1.051 144 I HN 0.265 nan 8.210 nan 0.000 0.413 145 R N 1.000 121.603 120.500 0.172 0.000 2.091 145 R HA -0.196 4.144 4.340 -0.001 0.000 0.238 145 R C 2.328 178.715 176.300 0.145 0.000 1.136 145 R CA 1.737 57.930 56.100 0.155 0.000 0.959 145 R CB -0.236 30.165 30.300 0.170 0.000 0.856 145 R HN 0.385 nan 8.270 nan 0.000 0.437 146 A N 0.004 122.921 122.820 0.161 0.000 1.897 146 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 146 A C 1.982 179.676 177.584 0.184 0.000 1.181 146 A CA 1.067 53.184 52.037 0.134 0.000 0.620 146 A CB -0.745 18.334 19.000 0.131 0.000 0.821 146 A HN 0.519 nan 8.150 nan 0.000 0.443 147 F N 1.205 121.217 119.950 0.103 0.000 2.095 147 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 147 F C 2.459 178.331 175.800 0.120 0.000 1.104 147 F CA 1.574 59.656 58.000 0.137 0.000 1.232 147 F CB -0.339 38.721 39.000 0.100 0.000 0.987 147 F HN 0.240 nan 8.300 nan 0.000 0.475 148 A N 0.581 123.556 122.820 0.259 0.000 1.898 148 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 148 A C 2.268 179.858 177.584 0.009 0.000 1.181 148 A CA 1.461 53.570 52.037 0.120 0.000 0.620 148 A CB -0.665 18.438 19.000 0.172 0.000 0.819 148 A HN 0.474 nan 8.150 nan 0.000 0.442 149 R N -0.767 119.744 120.500 0.017 0.000 2.235 149 R HA 0.032 4.372 4.340 -0.001 0.000 0.213 149 R C 1.490 177.741 176.300 -0.083 0.000 1.059 149 R CA 0.870 56.956 56.100 -0.024 0.000 0.997 149 R CB -0.109 30.183 30.300 -0.013 0.000 0.884 149 R HN 0.407 nan 8.270 nan 0.000 0.462 150 R N 0.144 120.571 120.500 -0.122 0.000 2.359 150 R HA 0.103 4.443 4.340 -0.001 0.000 0.231 150 R C 0.280 176.443 176.300 -0.229 0.000 0.913 150 R CA -0.035 55.912 56.100 -0.256 0.000 1.075 150 R CB 0.405 30.460 30.300 -0.409 0.000 1.087 150 R HN 0.108 nan 8.270 nan 0.000 0.515 162 L N 1.573 122.881 121.223 0.143 0.000 2.305 162 L HA 0.680 5.020 4.340 -0.001 0.000 0.281 162 L C 0.499 177.477 176.870 0.180 0.000 1.085 162 L CA -0.394 54.585 54.840 0.231 0.000 0.813 162 L CB 1.237 43.459 42.059 0.272 0.000 1.157 162 L HN 0.611 nan 8.230 nan 0.000 0.436 163 S N 2.151 117.932 115.700 0.136 0.000 2.547 163 S HA 0.733 5.202 4.470 -0.001 0.000 0.270 163 S C -1.129 173.368 174.600 -0.172 0.000 1.150 163 S CA -0.800 57.395 58.200 -0.008 0.000 0.850 163 S CB 2.023 65.204 63.200 -0.031 0.000 1.118 163 S HN 0.191 nan 8.310 nan 0.000 0.461 164 V N 1.512 121.304 119.914 -0.203 0.000 2.715 164 V HA 0.798 4.918 4.120 -0.001 0.000 0.310 164 V C -0.821 175.165 176.094 -0.180 0.000 1.054 164 V CA -0.624 61.506 62.300 -0.284 0.000 0.928 164 V CB 1.830 33.474 31.823 -0.299 0.000 1.007 164 V HN 0.896 nan 8.190 nan 0.000 0.437 165 V N 3.614 123.423 119.914 -0.174 0.000 2.577 165 V HA 0.511 4.631 4.120 -0.001 0.000 0.303 165 V C -0.645 175.381 176.094 -0.115 0.000 1.042 165 V CA -0.838 61.387 62.300 -0.125 0.000 0.872 165 V CB 2.077 33.833 31.823 -0.113 0.000 0.998 165 V HN 0.863 nan 8.190 nan 0.000 0.423 166 N N 3.926 122.568 118.700 -0.096 0.000 2.443 166 N HA 0.481 5.221 4.740 -0.001 0.000 0.295 166 N C -1.039 174.427 175.510 -0.075 0.000 1.076 166 N CA -0.612 52.385 53.050 -0.089 0.000 0.919 166 N CB 2.414 40.847 38.487 -0.090 0.000 1.176 166 N HN 0.400 nan 8.380 nan 0.000 0.487 167 L N 2.153 123.336 121.223 -0.068 0.000 2.268 167 L HA 0.277 4.617 4.340 -0.001 0.000 0.289 167 L C 0.664 177.494 176.870 -0.067 0.000 1.064 167 L CA -0.128 54.677 54.840 -0.057 0.000 0.824 167 L CB -0.041 41.992 42.059 -0.043 0.000 1.202 167 L HN 0.527 nan 8.230 nan 0.000 0.433 168 C N 2.650 121.907 119.300 -0.071 0.000 2.536 168 C HA 0.504 4.963 4.460 -0.001 0.000 0.385 168 C C 0.390 175.339 174.990 -0.070 0.000 2.253 168 C CA -0.374 58.589 59.018 -0.092 0.000 1.823 168 C CB 1.855 29.533 27.740 -0.103 0.000 2.000 168 C HN 0.776 nan 8.230 nan 0.000 0.444 169 D N -0.329 120.023 120.400 -0.079 0.000 2.736 169 D HA 0.516 5.155 4.640 -0.001 0.000 0.243 169 D C -0.282 175.988 176.300 -0.049 0.000 1.304 169 D CA -0.073 53.905 54.000 -0.037 0.000 0.934 169 D CB 1.429 42.249 40.800 0.033 0.000 1.382 169 D HN 0.736 nan 8.370 nan 0.000 0.571 173 D N 1.250 121.703 120.400 0.087 0.000 2.333 173 D HA 0.234 4.873 4.640 -0.001 0.000 0.208 173 D C 0.575 176.922 176.300 0.078 0.000 0.984 173 D CA 0.542 54.603 54.000 0.102 0.000 0.873 173 D CB 0.664 41.489 40.800 0.041 0.000 0.935 173 D HN 0.460 nan 8.370 nan 0.000 0.521 174 L N 2.072 123.333 121.223 0.062 0.000 2.679 174 L HA 0.300 4.640 4.340 -0.001 0.000 0.238 174 L C -2.378 174.526 176.870 0.057 0.000 1.330 174 L CA -1.566 53.300 54.840 0.044 0.000 0.935 174 L CB 1.080 43.151 42.059 0.021 0.000 1.243 174 L HN -0.364 nan 8.230 nan 0.000 0.484 175 P HA -0.154 nan 4.420 nan 0.000 0.255 175 P C -0.257 177.099 177.300 0.094 0.000 1.141 175 P CA 0.010 63.169 63.100 0.099 0.000 0.767 175 P CB 0.240 31.989 31.700 0.082 0.000 0.726 176 L N 7.838 129.125 121.223 0.106 0.000 2.456 176 L HA 0.242 4.582 4.340 -0.001 0.000 0.277 176 L C -2.084 174.906 176.870 0.199 0.000 1.124 176 L CA -1.851 53.033 54.840 0.074 0.000 0.880 176 L CB -0.426 41.570 42.059 -0.105 0.000 1.192 176 L HN 0.280 nan 8.230 nan 0.000 0.463 177 P HA 0.163 nan 4.420 nan 0.000 0.261 177 P C 0.679 178.130 177.300 0.252 0.000 1.173 177 P CA 1.125 64.323 63.100 0.164 0.000 0.760 177 P CB 0.502 32.264 31.700 0.104 0.000 0.783 178 G N 1.834 110.732 108.800 0.164 0.000 2.195 178 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.246 178 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.246 178 G C 0.292 175.138 174.900 -0.089 0.000 0.984 178 G CA -0.412 44.713 45.100 0.042 0.000 0.633 178 G HN 0.446 nan 8.290 nan 0.000 0.525 179 F N 0.718 120.682 119.950 0.023 0.000 2.923 179 F HA 0.411 4.938 4.527 -0.000 0.000 0.314 179 F C 2.098 177.958 175.800 0.101 0.000 1.196 179 F CA -0.317 57.706 58.000 0.039 0.000 1.320 179 F CB -0.392 38.627 39.000 0.032 0.000 0.953 179 F HN 0.258 nan 8.300 nan 0.000 0.505 180 C N -0.132 119.267 119.300 0.165 0.000 2.376 180 C HA -0.203 4.257 4.460 -0.001 0.000 0.275 180 C C 2.658 177.712 174.990 0.106 0.000 1.200 180 C CA 1.913 61.001 59.018 0.117 0.000 1.756 180 C CB -0.762 27.021 27.740 0.072 0.000 2.050 180 C HN 0.399 nan 8.230 nan 0.000 0.460 181 V N -0.121 119.856 119.914 0.104 0.000 2.427 181 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 181 V C 2.072 178.158 176.094 -0.014 0.000 1.051 181 V CA 2.260 64.623 62.300 0.104 0.000 1.048 181 V CB -1.182 30.728 31.823 0.145 0.000 0.666 181 V HN 0.742 nan 8.190 nan 0.000 0.456 182 Y N 1.712 121.984 120.300 -0.047 0.000 2.145 182 Y HA -0.134 4.415 4.550 -0.000 0.000 0.286 182 Y C 1.743 177.625 175.900 -0.029 0.000 1.145 182 Y CA 1.458 59.533 58.100 -0.040 0.000 1.148 182 Y CB -0.712 37.835 38.460 0.146 0.000 0.981 182 Y HN 0.230 nan 8.280 nan 0.000 0.507 186 K N 0.854 120.976 120.400 -0.464 0.000 2.097 186 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 186 K C 1.607 178.078 176.600 -0.215 0.000 1.049 186 K CA 1.701 57.770 56.287 -0.363 0.000 0.933 186 K CB -0.574 31.640 32.500 -0.477 0.000 0.717 186 K HN 0.755 nan 8.250 nan 0.000 0.442 187 H N 0.045 118.985 119.070 -0.218 0.000 2.387 187 H HA -0.035 4.521 4.556 -0.001 0.000 0.299 187 H C 1.919 177.189 175.328 -0.097 0.000 1.090 187 H CA 1.256 57.230 56.048 -0.124 0.000 1.332 187 H CB 0.236 29.948 29.762 -0.084 0.000 1.386 187 H HN 0.202 nan 8.280 nan 0.000 0.516 188 A N 1.191 124.018 122.820 0.010 0.000 1.902 188 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 188 A C 2.436 179.993 177.584 -0.044 0.000 1.181 188 A CA 1.176 53.217 52.037 0.007 0.000 0.623 188 A CB -0.711 18.311 19.000 0.037 0.000 0.818 188 A HN 0.291 nan 8.150 nan 0.000 0.443 189 L N 0.190 121.353 121.223 -0.099 0.000 2.046 189 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 189 L C 2.366 179.179 176.870 -0.095 0.000 1.077 189 L CA 2.328 57.104 54.840 -0.106 0.000 0.747 189 L CB -1.033 40.943 42.059 -0.139 0.000 0.896 189 L HN 0.300 nan 8.230 nan 0.000 0.432 190 G N -1.281 107.451 108.800 -0.112 0.000 2.408 190 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 190 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 190 G C 1.514 176.374 174.900 -0.067 0.000 1.150 190 G CA 0.533 45.569 45.100 -0.106 0.000 0.776 190 G HN 0.593 nan 8.290 nan 0.000 0.542 191 G N 0.821 109.594 108.800 -0.045 0.000 2.418 191 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.217 191 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.217 191 G C 1.721 176.606 174.900 -0.025 0.000 1.158 191 G CA 0.993 46.080 45.100 -0.021 0.000 0.771 191 G HN 0.404 nan 8.290 nan 0.000 0.545 192 L N 1.063 122.265 121.223 -0.034 0.000 2.093 192 L HA 0.026 4.366 4.340 -0.001 0.000 0.208 192 L C 2.849 179.696 176.870 -0.039 0.000 1.085 192 L CA 2.368 57.188 54.840 -0.034 0.000 0.755 192 L CB -0.865 41.167 42.059 -0.045 0.000 0.904 192 L HN 0.170 nan 8.230 nan 0.000 0.435 193 T N -0.363 114.161 114.554 -0.050 0.000 2.788 193 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 193 T C 1.966 176.641 174.700 -0.043 0.000 1.044 193 T CA 1.688 63.757 62.100 -0.053 0.000 1.139 193 T CB -0.178 68.653 68.868 -0.062 0.000 0.867 193 T HN 0.401 nan 8.240 nan 0.000 0.454 194 R N 0.684 121.162 120.500 -0.037 0.000 2.100 194 R HA 0.264 4.604 4.340 -0.001 0.000 0.220 194 R C 2.832 179.118 176.300 -0.024 0.000 1.091 194 R CA 0.900 56.982 56.100 -0.031 0.000 0.986 194 R CB -0.312 29.972 30.300 -0.027 0.000 0.888 194 R HN 0.333 nan 8.270 nan 0.000 0.444 195 A N 1.596 124.404 122.820 -0.019 0.000 1.873 195 A HA -0.037 4.283 4.320 -0.001 0.000 0.215 195 A C 2.379 179.957 177.584 -0.011 0.000 1.186 195 A CA 1.546 53.576 52.037 -0.012 0.000 0.616 195 A CB -0.561 18.435 19.000 -0.006 0.000 0.823 195 A HN 0.340 nan 8.150 nan 0.000 0.442 196 A N -0.077 122.736 122.820 -0.012 0.000 1.902 196 A HA 0.177 4.497 4.320 -0.001 0.000 0.217 196 A C 2.499 180.076 177.584 -0.012 0.000 1.181 196 A CA 2.030 54.063 52.037 -0.006 0.000 0.623 196 A CB -1.034 17.961 19.000 -0.008 0.000 0.818 196 A HN 1.056 nan 8.150 nan 0.000 0.443 197 A N -0.430 122.375 122.820 -0.025 0.000 1.908 197 A HA -0.099 4.220 4.320 -0.001 0.000 0.218 197 A C 2.162 179.724 177.584 -0.036 0.000 1.181 197 A CA 1.880 53.897 52.037 -0.034 0.000 0.627 197 A CB -0.627 18.347 19.000 -0.043 0.000 0.818 197 A HN 0.705 nan 8.150 nan 0.000 0.445 198 L N -0.193 121.010 121.223 -0.032 0.000 2.027 198 L HA -0.082 4.258 4.340 -0.001 0.000 0.206 198 L C 2.181 179.033 176.870 -0.030 0.000 1.074 198 L CA 2.283 57.102 54.840 -0.034 0.000 0.745 198 L CB -0.608 41.435 42.059 -0.026 0.000 0.898 198 L HN 0.485 nan 8.230 nan 0.000 0.433 199 E N -0.861 119.328 120.200 -0.018 0.000 2.204 199 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 199 E C 1.697 178.289 176.600 -0.013 0.000 0.989 199 E CA 0.756 57.149 56.400 -0.012 0.000 0.824 199 E CB 0.021 29.722 29.700 0.001 0.000 0.756 199 E HN 0.318 nan 8.360 nan 0.000 0.477 200 L N -0.322 120.895 121.223 -0.010 0.000 2.585 200 L HA 0.157 4.496 4.340 -0.001 0.000 0.226 200 L C 1.964 178.812 176.870 -0.037 0.000 1.113 200 L CA 0.431 55.270 54.840 -0.002 0.000 0.876 200 L CB -0.565 41.515 42.059 0.036 0.000 1.072 200 L HN -0.031 nan 8.230 nan 0.000 0.468 201 A N 0.932 123.715 122.820 -0.061 0.000 1.892 201 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 201 A C 0.016 177.488 177.584 -0.188 0.000 1.188 201 A CA 1.766 53.743 52.037 -0.100 0.000 0.631 201 A CB -1.732 17.210 19.000 -0.096 0.000 0.822 201 A HN 0.307 nan 8.150 nan 0.000 0.447 202 P HA -0.112 nan 4.420 nan 0.000 0.221 202 P C 0.906 178.007 177.300 -0.331 0.000 1.145 202 P CA 0.851 63.808 63.100 -0.237 0.000 0.795 202 P CB 0.036 31.664 31.700 -0.120 0.000 0.775 203 R N -1.978 118.402 120.500 -0.200 0.000 2.359 203 R HA 0.136 4.475 4.340 -0.001 0.000 0.231 203 R C -0.054 176.242 176.300 -0.006 0.000 0.913 203 R CA -0.131 55.918 56.100 -0.086 0.000 1.075 203 R CB -1.297 29.003 30.300 0.001 0.000 1.087 203 R HN 0.375 nan 8.270 nan 0.000 0.515 204 H N -0.201 118.883 119.070 0.024 0.000 2.791 204 H HA -0.142 4.414 4.556 -0.001 0.000 0.302 204 H C -0.481 174.876 175.328 0.047 0.000 1.198 204 H CA 0.624 56.688 56.048 0.026 0.000 1.145 204 H CB -1.727 28.050 29.762 0.025 0.000 1.385 204 H HN 0.207 nan 8.280 nan 0.000 0.409 205 I N 0.915 121.554 120.570 0.116 0.000 2.389 205 I HA 0.296 4.466 4.170 -0.001 0.000 0.288 205 I C 0.469 176.624 176.117 0.065 0.000 0.999 205 I CA -0.584 60.799 61.300 0.139 0.000 1.129 205 I CB 1.495 39.618 38.000 0.206 0.000 1.288 205 I HN 0.112 nan 8.210 nan 0.000 0.444 206 R N 4.731 125.256 120.500 0.042 0.000 2.410 206 R HA 0.677 5.017 4.340 -0.001 0.000 0.288 206 R C -1.076 175.203 176.300 -0.034 0.000 1.051 206 R CA -0.685 55.408 56.100 -0.012 0.000 1.021 206 R CB 1.825 32.108 30.300 -0.028 0.000 1.032 206 R HN 0.327 nan 8.270 nan 0.000 0.481 207 V N 3.600 123.485 119.914 -0.049 0.000 2.447 207 V HA 0.340 4.460 4.120 -0.001 0.000 0.292 207 V C -0.493 175.562 176.094 -0.064 0.000 1.021 207 V CA -0.832 61.429 62.300 -0.065 0.000 0.850 207 V CB 1.352 33.143 31.823 -0.054 0.000 1.005 207 V HN 0.809 nan 8.190 nan 0.000 0.426 208 N N 2.147 120.805 118.700 -0.071 0.000 3.038 208 N HA 0.910 5.650 4.740 -0.001 0.000 0.307 208 N C -0.723 174.750 175.510 -0.062 0.000 1.441 208 N CA -0.481 52.534 53.050 -0.058 0.000 0.772 208 N CB 2.686 41.144 38.487 -0.049 0.000 1.651 208 N HN 0.732 nan 8.380 nan 0.000 0.593 209 A N 0.066 122.857 122.820 -0.048 0.000 2.539 209 A HA 0.667 4.987 4.320 -0.001 0.000 0.296 209 A C -1.359 176.205 177.584 -0.033 0.000 1.073 209 A CA -0.492 51.514 52.037 -0.052 0.000 0.700 209 A CB 1.354 20.317 19.000 -0.062 0.000 1.296 209 A HN 0.264 nan 8.150 nan 0.000 0.405 210 V N 0.858 120.751 119.914 -0.035 0.000 2.448 210 V HA 0.692 4.811 4.120 -0.001 0.000 0.295 210 V C 0.203 176.277 176.094 -0.034 0.000 1.025 210 V CA -0.067 62.221 62.300 -0.021 0.000 0.859 210 V CB 1.591 33.406 31.823 -0.013 0.000 0.988 210 V HN 1.407 nan 8.190 nan 0.000 0.431 211 A N 7.507 130.309 122.820 -0.032 0.000 2.328 211 A HA 0.826 5.146 4.320 -0.001 0.000 0.318 211 A C -2.786 174.778 177.584 -0.033 0.000 1.347 211 A CA -1.623 50.389 52.037 -0.040 0.000 0.842 211 A CB 0.685 19.656 19.000 -0.049 0.000 1.148 211 A HN 0.600 nan 8.150 nan 0.000 0.499 212 P HA 0.334 nan 4.420 nan 0.000 0.274 212 P C 0.941 178.221 177.300 -0.033 0.000 1.237 212 P CA 0.172 63.252 63.100 -0.033 0.000 0.793 212 P CB 1.437 33.114 31.700 -0.040 0.000 0.977 213 G N 0.667 109.451 108.800 -0.027 0.000 2.687 213 G HA2 0.243 4.202 3.960 -0.001 0.000 0.222 213 G HA3 0.243 4.202 3.960 -0.001 0.000 0.222 213 G C -0.705 174.182 174.900 -0.022 0.000 1.445 213 G CA 0.369 45.456 45.100 -0.022 0.000 0.836 213 G HN 0.457 nan 8.290 nan 0.000 0.598 214 L N 1.216 122.432 121.223 -0.012 0.000 2.345 214 L HA 0.756 5.096 4.340 -0.001 0.000 0.274 214 L C -0.045 176.819 176.870 -0.010 0.000 0.999 214 L CA -0.408 54.433 54.840 0.001 0.000 0.849 214 L CB 1.577 43.656 42.059 0.033 0.000 1.220 214 L HN 0.235 nan 8.230 nan 0.000 0.422 215 S N 3.793 119.475 115.700 -0.030 0.000 3.831 215 S HA 0.593 5.063 4.470 -0.001 0.000 0.222 215 S C -0.252 174.327 174.600 -0.035 0.000 1.036 215 S CA -0.710 57.472 58.200 -0.031 0.000 1.519 215 S CB 0.201 63.378 63.200 -0.038 0.000 1.039 215 S HN 0.563 nan 8.310 nan 0.000 0.690 216 L N 2.888 124.088 121.223 -0.039 0.000 2.700 216 L HA 0.085 4.425 4.340 -0.001 0.000 0.272 216 L C -0.357 176.481 176.870 -0.053 0.000 1.176 216 L CA 0.024 54.839 54.840 -0.040 0.000 0.961 216 L CB -0.579 41.459 42.059 -0.034 0.000 1.249 216 L HN 0.458 nan 8.230 nan 0.000 0.487 217 L N 5.735 126.924 121.223 -0.057 0.000 2.436 217 L HA 0.249 4.589 4.340 -0.001 0.000 0.265 217 L C -1.737 175.094 176.870 -0.065 0.000 1.168 217 L CA -1.822 52.969 54.840 -0.082 0.000 0.815 217 L CB 0.098 42.087 42.059 -0.117 0.000 1.109 217 L HN 0.395 nan 8.230 nan 0.000 0.462 218 P HA -0.001 nan 4.420 nan 0.000 0.261 218 P C -1.795 175.485 177.300 -0.035 0.000 1.183 218 P CA -0.779 62.308 63.100 -0.022 0.000 0.761 218 P CB 0.067 31.764 31.700 -0.004 0.000 0.785 219 P HA -0.162 nan 4.420 nan 0.000 0.216 219 P C 0.445 177.731 177.300 -0.023 0.000 1.150 219 P CA 1.269 64.355 63.100 -0.022 0.000 0.843 219 P CB 0.109 31.801 31.700 -0.013 0.000 0.787 223 Q N 0.039 119.825 119.800 -0.023 0.000 2.112 223 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 223 Q C 1.447 177.443 176.000 -0.007 0.000 0.987 223 Q CA 1.553 57.344 55.803 -0.019 0.000 0.858 223 Q CB 0.164 28.895 28.738 -0.012 0.000 0.905 223 Q HN 0.425 nan 8.270 nan 0.000 0.420 224 E N -0.205 119.996 120.200 0.003 0.000 2.110 224 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 224 E C 1.971 178.594 176.600 0.039 0.000 0.988 224 E CA 1.344 57.755 56.400 0.020 0.000 0.804 224 E CB -0.116 29.597 29.700 0.020 0.000 0.745 224 E HN 0.326 nan 8.360 nan 0.000 0.458 225 T N 1.149 115.720 114.554 0.029 0.000 2.777 225 T HA -0.127 4.222 4.350 -0.001 0.000 0.266 225 T C 1.881 176.608 174.700 0.046 0.000 1.040 225 T CA 1.114 63.253 62.100 0.065 0.000 1.141 225 T CB -0.104 68.773 68.868 0.014 0.000 0.868 225 T HN 0.250 nan 8.240 nan 0.000 0.444 226 Q N 0.364 120.127 119.800 -0.062 0.000 2.124 226 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 226 Q C 2.389 178.413 176.000 0.040 0.000 0.977 226 Q CA 1.165 56.913 55.803 -0.092 0.000 0.850 226 Q CB -0.132 28.554 28.738 -0.087 0.000 0.901 226 Q HN 0.320 nan 8.270 nan 0.000 0.429 227 E N 1.068 121.297 120.200 0.049 0.000 2.150 227 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 227 E C 1.436 178.093 176.600 0.096 0.000 0.985 227 E CA 1.107 57.543 56.400 0.059 0.000 0.814 227 E CB 0.112 29.834 29.700 0.037 0.000 0.752 227 E HN 0.362 nan 8.360 nan 0.000 0.466 228 E N -1.179 119.106 120.200 0.141 0.000 2.150 228 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 228 E C 1.673 178.367 176.600 0.157 0.000 0.985 228 E CA 0.775 57.257 56.400 0.137 0.000 0.814 228 E CB -0.177 29.610 29.700 0.145 0.000 0.752 228 E HN 0.339 nan 8.360 nan 0.000 0.466 229 Y N 1.057 121.355 120.300 -0.002 0.000 2.184 229 Y HA -0.069 4.480 4.550 -0.001 0.000 0.290 229 Y C 2.333 178.227 175.900 -0.009 0.000 1.129 229 Y CA 0.952 59.048 58.100 -0.006 0.000 1.144 229 Y CB -0.178 38.277 38.460 -0.008 0.000 0.995 229 Y HN -0.099 nan 8.280 nan 0.000 0.513 230 R N -0.302 120.297 120.500 0.166 0.000 2.096 230 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 230 R C 2.237 178.565 176.300 0.047 0.000 1.127 230 R CA 1.395 57.544 56.100 0.081 0.000 0.968 230 R CB -0.367 29.967 30.300 0.055 0.000 0.861 230 R HN 0.160 nan 8.270 nan 0.000 0.440 231 R N 1.095 121.621 120.500 0.044 0.000 2.249 231 R HA -0.099 4.241 4.340 -0.001 0.000 0.230 231 R C 1.632 177.935 176.300 0.005 0.000 1.121 231 R CA 1.282 57.395 56.100 0.021 0.000 0.997 231 R CB 0.077 30.389 30.300 0.020 0.000 0.867 231 R HN 0.141 nan 8.270 nan 0.000 0.465 232 K N -0.626 119.773 120.400 -0.002 0.000 2.365 232 K HA 0.059 4.379 4.320 -0.001 0.000 0.197 232 K C -0.151 176.441 176.600 -0.014 0.000 1.042 232 K CA 0.243 56.517 56.287 -0.022 0.000 0.987 232 K CB 0.554 33.021 32.500 -0.056 0.000 0.779 232 K HN -0.045 nan 8.250 nan 0.000 0.484 233 V N 3.363 123.276 119.914 -0.002 0.000 2.415 233 V HA 0.017 4.137 4.120 -0.001 0.000 0.267 233 V C -1.674 174.418 176.094 -0.004 0.000 1.042 233 V CA -0.988 61.310 62.300 -0.002 0.000 1.000 233 V CB 0.864 32.690 31.823 0.005 0.000 1.015 233 V HN 0.040 nan 8.190 nan 0.000 0.478 234 P HA -0.117 nan 4.420 nan 0.000 0.215 234 P C 0.566 177.861 177.300 -0.007 0.000 1.153 234 P CA 0.701 63.796 63.100 -0.008 0.000 0.853 234 P CB 0.187 31.881 31.700 -0.010 0.000 0.788 235 L N -0.422 120.797 121.223 -0.007 0.000 2.375 235 L HA 0.459 4.799 4.340 -0.001 0.000 0.276 235 L C 1.077 177.944 176.870 -0.006 0.000 1.162 235 L CA 0.401 55.236 54.840 -0.008 0.000 0.991 235 L CB -1.089 40.964 42.059 -0.010 0.000 1.315 235 L HN 0.293 nan 8.230 nan 0.000 0.431 236 G N 2.490 111.287 108.800 -0.004 0.000 2.176 236 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.253 236 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.253 236 G C 0.486 175.387 174.900 0.001 0.000 0.979 236 G CA 0.205 45.304 45.100 -0.002 0.000 0.641 236 G HN 0.646 nan 8.290 nan 0.000 0.530 237 Q N -1.054 118.747 119.800 0.002 0.000 2.453 237 Q HA -0.084 4.256 4.340 -0.001 0.000 0.294 237 Q C 0.312 176.319 176.000 0.012 0.000 1.295 237 Q CA 1.627 57.434 55.803 0.008 0.000 0.853 237 Q CB -1.817 26.926 28.738 0.008 0.000 1.193 237 Q HN 1.442 nan 8.270 nan 0.000 0.461 238 S N -0.712 114.993 115.700 0.009 0.000 2.569 238 S HA 0.562 5.032 4.470 -0.001 0.000 0.280 238 S C -0.787 173.819 174.600 0.010 0.000 1.111 238 S CA -0.776 57.430 58.200 0.009 0.000 0.887 238 S CB 1.189 64.391 63.200 0.003 0.000 1.095 238 S HN 0.301 nan 8.310 nan 0.000 0.476 239 E N 2.288 122.494 120.200 0.010 0.000 2.342 239 E HA 0.581 4.931 4.350 -0.001 0.000 0.257 239 E C -0.110 176.488 176.600 -0.002 0.000 1.150 239 E CA -0.667 55.737 56.400 0.007 0.000 0.926 239 E CB 0.961 30.665 29.700 0.005 0.000 1.074 239 E HN 0.611 nan 8.360 nan 0.000 0.449 240 A N 1.442 124.258 122.820 -0.007 0.000 2.388 240 A HA 0.333 4.653 4.320 -0.001 0.000 0.257 240 A C 0.394 177.972 177.584 -0.010 0.000 1.095 240 A CA -0.095 51.936 52.037 -0.009 0.000 0.791 240 A CB 0.104 19.096 19.000 -0.012 0.000 1.029 240 A HN 0.693 nan 8.150 nan 0.000 0.489 241 S N 1.601 117.296 115.700 -0.007 0.000 2.601 241 S HA 0.488 4.958 4.470 -0.001 0.000 0.271 241 S C 1.242 175.840 174.600 -0.002 0.000 1.305 241 S CA -0.123 58.074 58.200 -0.005 0.000 1.022 241 S CB 1.319 64.518 63.200 -0.002 0.000 0.940 241 S HN 1.624 nan 8.310 nan 0.000 0.525 242 A N 2.258 125.078 122.820 0.001 0.000 1.986 242 A HA 0.054 4.374 4.320 -0.001 0.000 0.220 242 A C 2.333 179.927 177.584 0.017 0.000 1.171 242 A CA 1.927 53.969 52.037 0.010 0.000 0.640 242 A CB -1.592 17.420 19.000 0.019 0.000 0.811 242 A HN 1.392 nan 8.150 nan 0.000 0.451 243 A N -0.922 121.908 122.820 0.017 0.000 1.969 243 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 243 A C 2.074 179.667 177.584 0.014 0.000 1.169 243 A CA 1.471 53.520 52.037 0.020 0.000 0.635 243 A CB -0.428 18.585 19.000 0.020 0.000 0.810 243 A HN 0.665 nan 8.150 nan 0.000 0.445 244 Q N -0.665 119.139 119.800 0.006 0.000 2.172 244 Q HA -0.047 4.293 4.340 -0.001 0.000 0.200 244 Q C 1.797 177.798 176.000 0.002 0.000 0.964 244 Q CA 0.876 56.680 55.803 0.001 0.000 0.855 244 Q CB -0.133 28.602 28.738 -0.005 0.000 0.918 244 Q HN 0.576 nan 8.270 nan 0.000 0.444 245 I N 0.558 121.129 120.570 0.002 0.000 2.286 245 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 245 I C 2.311 178.433 176.117 0.007 0.000 1.104 245 I CA 1.056 62.356 61.300 0.000 0.000 1.397 245 I CB -1.429 36.568 38.000 -0.005 0.000 1.072 245 I HN 0.084 nan 8.210 nan 0.000 0.417 246 A N 0.636 123.463 122.820 0.011 0.000 1.972 246 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 246 A C 1.965 179.564 177.584 0.025 0.000 1.169 246 A CA 1.753 53.798 52.037 0.013 0.000 0.635 246 A CB -0.537 18.475 19.000 0.020 0.000 0.810 246 A HN 0.356 nan 8.150 nan 0.000 0.446 247 D N 0.256 120.673 120.400 0.029 0.000 2.084 247 D HA -0.095 4.544 4.640 -0.001 0.000 0.194 247 D C 2.318 178.664 176.300 0.076 0.000 0.990 247 D CA 1.662 55.688 54.000 0.043 0.000 0.826 247 D CB -0.536 40.277 40.800 0.022 0.000 0.971 247 D HN 0.409 nan 8.370 nan 0.000 0.453 248 A N 0.940 123.796 122.820 0.061 0.000 1.908 248 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 248 A C 2.434 180.102 177.584 0.140 0.000 1.181 248 A CA 1.080 53.179 52.037 0.103 0.000 0.627 248 A CB -0.786 18.247 19.000 0.054 0.000 0.818 248 A HN 0.211 nan 8.150 nan 0.000 0.445 249 I N -0.377 120.230 120.570 0.062 0.000 2.179 249 I HA -0.286 3.884 4.170 -0.001 0.000 0.242 249 I C 2.980 179.104 176.117 0.012 0.000 1.088 249 I CA 1.096 62.406 61.300 0.017 0.000 1.357 249 I CB -0.418 37.568 38.000 -0.023 0.000 1.051 249 I HN 0.370 nan 8.210 nan 0.000 0.409 250 A N 0.616 123.459 122.820 0.037 0.000 1.978 250 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 250 A C 2.206 179.842 177.584 0.087 0.000 1.170 250 A CA 1.532 53.594 52.037 0.042 0.000 0.636 250 A CB -0.908 18.130 19.000 0.064 0.000 0.810 250 A HN 0.495 nan 8.150 nan 0.000 0.448 251 F N 0.521 120.469 119.950 -0.003 0.000 2.113 251 F HA -0.058 4.469 4.527 -0.001 0.000 0.297 251 F C 1.771 177.575 175.800 0.007 0.000 1.103 251 F CA 1.517 59.521 58.000 0.006 0.000 1.248 251 F CB -0.342 38.660 39.000 0.003 0.000 0.999 251 F HN 0.121 nan 8.300 nan 0.000 0.475 252 L N 0.311 121.417 121.223 -0.195 0.000 2.275 252 L HA -0.123 4.217 4.340 -0.001 0.000 0.215 252 L C 2.291 179.024 176.870 -0.228 0.000 1.119 252 L CA 1.094 55.759 54.840 -0.292 0.000 0.790 252 L CB -0.695 41.309 42.059 -0.090 0.000 0.919 252 L HN 0.297 nan 8.230 nan 0.000 0.443 253 V N -4.305 115.517 119.914 -0.152 0.000 3.354 253 V HA 0.089 4.208 4.120 -0.001 0.000 0.258 253 V C 1.468 177.536 176.094 -0.044 0.000 1.159 253 V CA 0.208 62.450 62.300 -0.097 0.000 1.125 253 V CB -0.352 31.395 31.823 -0.127 0.000 0.774 253 V HN 0.376 nan 8.190 nan 0.000 0.464 254 S N 0.690 116.336 115.700 -0.090 0.000 2.608 254 S HA 0.228 4.697 4.470 -0.001 0.000 0.261 254 S C 0.864 175.413 174.600 -0.085 0.000 1.314 254 S CA 0.010 58.182 58.200 -0.046 0.000 0.992 254 S CB 0.857 64.040 63.200 -0.028 0.000 0.935 254 S HN 0.481 nan 8.310 nan 0.000 0.564 255 K N 0.063 120.444 120.400 -0.032 0.000 2.365 255 K HA -0.012 4.307 4.320 -0.001 0.000 0.199 255 K C 0.624 177.201 176.600 -0.038 0.000 1.045 255 K CA 1.090 57.362 56.287 -0.025 0.000 0.962 255 K CB -0.280 32.219 32.500 -0.002 0.000 0.759 255 K HN 0.580 nan 8.250 nan 0.000 0.469 256 D N 0.461 120.828 120.400 -0.055 0.000 2.378 256 D HA -0.052 4.588 4.640 -0.001 0.000 0.227 256 D C 0.742 176.959 176.300 -0.137 0.000 1.012 256 D CA 0.483 54.477 54.000 -0.010 0.000 0.905 256 D CB 0.288 41.174 40.800 0.142 0.000 0.895 256 D HN 0.220 nan 8.370 nan 0.000 0.532 257 A N -0.440 122.204 122.820 -0.293 0.000 2.589 257 A HA 0.458 4.778 4.320 -0.001 0.000 0.283 257 A C 2.001 179.519 177.584 -0.110 0.000 1.187 257 A CA 0.102 51.941 52.037 -0.329 0.000 0.957 257 A CB 0.005 18.607 19.000 -0.664 0.000 1.175 257 A HN 0.169 nan 8.150 nan 0.000 0.532 258 G N -1.208 107.572 108.800 -0.033 0.000 2.516 258 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.221 258 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.221 258 G C 0.972 175.933 174.900 0.102 0.000 1.107 258 G CA 1.453 46.571 45.100 0.031 0.000 0.747 258 G HN 0.596 nan 8.290 nan 0.000 0.567 259 Y N 0.116 120.404 120.300 -0.020 0.000 2.481 259 Y HA 0.478 5.028 4.550 -0.001 0.000 0.247 259 Y C 0.646 176.544 175.900 -0.003 0.000 1.151 259 Y CA -1.140 56.960 58.100 0.000 0.000 1.238 259 Y CB 0.439 38.906 38.460 0.011 0.000 1.179 259 Y HN -0.033 nan 8.280 nan 0.000 0.524 260 I N 1.005 121.587 120.570 0.021 0.000 2.315 260 I HA 0.291 4.460 4.170 -0.001 0.000 0.291 260 I C -0.010 176.066 176.117 -0.069 0.000 1.006 260 I CA -0.165 61.125 61.300 -0.017 0.000 1.265 260 I CB 1.369 39.373 38.000 0.005 0.000 1.387 260 I HN -0.062 nan 8.210 nan 0.000 0.475 261 T N 3.565 118.069 114.554 -0.083 0.000 2.982 261 T HA 0.523 4.873 4.350 -0.001 0.000 0.321 261 T C 0.334 174.996 174.700 -0.063 0.000 1.229 261 T CA 0.288 62.341 62.100 -0.079 0.000 1.044 261 T CB 1.426 70.235 68.868 -0.098 0.000 1.184 261 T HN 0.956 nan 8.240 nan 0.000 0.477 262 G N 2.504 111.273 108.800 -0.052 0.000 2.143 262 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.248 262 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.248 262 G C 0.239 175.119 174.900 -0.033 0.000 0.991 262 G CA 0.923 45.997 45.100 -0.043 0.000 0.689 262 G HN 1.443 nan 8.290 nan 0.000 0.522 263 T N -1.887 112.652 114.554 -0.026 0.000 2.925 263 T HA 0.701 5.051 4.350 -0.001 0.000 0.285 263 T C -0.103 174.589 174.700 -0.013 0.000 1.021 263 T CA 0.294 62.387 62.100 -0.011 0.000 1.042 263 T CB 2.322 71.198 68.868 0.014 0.000 1.037 263 T HN 0.367 nan 8.240 nan 0.000 0.481 264 T N 4.008 118.554 114.554 -0.014 0.000 2.772 264 T HA 0.454 4.803 4.350 -0.001 0.000 0.288 264 T C -0.660 174.037 174.700 -0.004 0.000 0.994 264 T CA -0.603 61.484 62.100 -0.021 0.000 0.951 264 T CB 0.794 69.637 68.868 -0.041 0.000 0.933 264 T HN 0.611 nan 8.240 nan 0.000 0.447 265 L N 4.375 125.602 121.223 0.007 0.000 2.261 265 L HA 0.443 4.783 4.340 -0.001 0.000 0.289 265 L C 0.267 177.136 176.870 -0.001 0.000 1.059 265 L CA -0.406 54.446 54.840 0.019 0.000 0.816 265 L CB 0.322 42.415 42.059 0.057 0.000 1.191 265 L HN 0.472 nan 8.230 nan 0.000 0.431 266 K N 4.194 124.589 120.400 -0.009 0.000 2.276 266 K HA 0.443 4.763 4.320 -0.001 0.000 0.283 266 K C -1.207 175.383 176.600 -0.016 0.000 1.044 266 K CA -0.399 55.877 56.287 -0.017 0.000 0.944 266 K CB 0.758 33.246 32.500 -0.020 0.000 1.012 266 K HN 0.519 nan 8.250 nan 0.000 0.472 267 V N 5.621 125.524 119.914 -0.018 0.000 2.383 267 V HA 0.087 4.206 4.120 -0.001 0.000 0.261 267 V C -0.467 175.616 176.094 -0.019 0.000 0.987 267 V CA -0.585 61.704 62.300 -0.018 0.000 0.853 267 V CB 0.628 32.442 31.823 -0.015 0.000 1.095 267 V HN 0.958 nan 8.190 nan 0.000 0.461 268 D N 1.376 121.765 120.400 -0.018 0.000 2.540 268 D HA 0.149 4.789 4.640 -0.001 0.000 0.229 268 D C 1.339 177.631 176.300 -0.014 0.000 1.250 268 D CA 0.325 54.315 54.000 -0.016 0.000 0.817 268 D CB 0.695 41.484 40.800 -0.017 0.000 1.060 268 D HN 0.594 nan 8.370 nan 0.000 0.508 269 G N 0.621 109.412 108.800 -0.015 0.000 2.321 269 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.287 269 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.287 269 G C 1.280 176.172 174.900 -0.013 0.000 1.018 269 G CA 0.812 45.904 45.100 -0.013 0.000 0.855 269 G HN 1.436 nan 8.290 nan 0.000 0.507 270 G N -1.903 106.889 108.800 -0.014 0.000 2.179 270 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.260 270 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.260 270 G C 1.210 176.102 174.900 -0.013 0.000 0.977 270 G CA 1.033 46.126 45.100 -0.013 0.000 0.641 270 G HN 1.558 nan 8.290 nan 0.000 0.533 271 L N 1.011 122.226 121.223 -0.014 0.000 2.013 271 L HA 0.127 4.467 4.340 -0.001 0.000 0.212 271 L C 2.476 179.337 176.870 -0.016 0.000 1.073 271 L CA 2.702 57.533 54.840 -0.016 0.000 0.753 271 L CB -0.429 41.621 42.059 -0.015 0.000 0.890 271 L HN 0.494 nan 8.230 nan 0.000 0.432 272 I N -1.349 119.212 120.570 -0.015 0.000 2.700 272 I HA -0.249 3.921 4.170 -0.001 0.000 0.261 272 I C 1.540 177.651 176.117 -0.011 0.000 1.219 272 I CA 0.648 61.940 61.300 -0.013 0.000 1.463 272 I CB 0.120 38.113 38.000 -0.013 0.000 1.092 272 I HN 0.281 nan 8.210 nan 0.000 0.452 273 L N 0.866 122.082 121.223 -0.011 0.000 2.446 273 L HA 0.238 4.578 4.340 -0.001 0.000 0.219 273 L C 1.415 178.279 176.870 -0.010 0.000 1.116 273 L CA 0.471 55.305 54.840 -0.010 0.000 0.844 273 L CB -1.150 40.903 42.059 -0.010 0.000 0.970 273 L HN 0.113 nan 8.230 nan 0.000 0.457 274 A N 0.380 123.192 122.820 -0.013 0.000 2.492 274 A HA 0.236 4.556 4.320 -0.001 0.000 0.254 274 A C 0.545 178.120 177.584 -0.014 0.000 1.091 274 A CA -0.108 51.920 52.037 -0.015 0.000 0.768 274 A CB -0.223 18.765 19.000 -0.019 0.000 1.028 274 A HN 0.246 nan 8.150 nan 0.000 0.498 275 R N 2.296 122.788 120.500 -0.012 0.000 2.340 275 R HA 0.492 4.831 4.340 -0.001 0.000 0.300 275 R C 0.626 176.917 176.300 -0.014 0.000 1.069 275 R CA 0.395 56.488 56.100 -0.011 0.000 0.984 275 R CB 0.679 30.974 30.300 -0.008 0.000 1.003 275 R HN 0.915 nan 8.270 nan 0.000 0.459 276 A N 0.000 122.812 122.820 -0.013 0.000 2.254 276 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 276 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 276 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 276 A HN 0.000 nan 8.150 nan 0.000 0.486