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 3ecp_1_A DATA FIRST_RESID 3 DATA SEQUENCE TSALHRAADW AKSVFSSAAL GDPRRTARLV NVAAQLAKYS GKSITISSEG DATA SEQUENCE SKAAQEGAYR FIRNPNVSAE AIRKAGAMQT VKLAQEFPEL LAIEDTTSLS DATA SEQUENCE YRHQVAEELG KLGSIQDKSR GWWVHSVLLL EATTFRTVGL LHQEWWMRPD DATA SEQUENCE DPADADEKES GKWLAAAATS RLRMGSMMSN VIAVCDREAD IHAYLQDKLA DATA SEQUENCE HNERFVVRSK HPRKDVESGL YLYDHLKNQP ELGGYQISIP QKGVVDKRGK DATA SEQUENCE RKNRPARKAS LSLRSGRITL KQGNITLNAV LAEEINPPKG ETPLKWLLLT DATA SEQUENCE SEPVESLAQA LRVIDIYTHR WRIEEFHKAW KTGAGAERQR MEEPDNLERM DATA SEQUENCE VSILSFVAVR LLQLRESFTP XXXXXXXXXX XXXXXXXSQS AETVLTPDEC DATA SEQUENCE QLLGYLDKGK RKRKEKAGSL QWAYMAIARL GGFMDSKRTG IASWGALWEG DATA SEQUENCE WEALQSKLDG FLAAKDLMAQ GIKIG 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.657 174.700 -0.071 0.000 1.109 3 T CA 0.000 62.090 62.100 -0.018 0.000 1.349 3 T CB 0.000 68.878 68.868 0.016 0.000 0.612 4 S N 1.388 117.057 115.700 -0.052 0.000 2.387 4 S HA 0.489 4.956 4.470 -0.005 0.000 0.226 4 S C 0.886 175.455 174.600 -0.052 0.000 1.026 4 S CA 0.865 59.025 58.200 -0.067 0.000 0.972 4 S CB -0.129 63.043 63.200 -0.047 0.000 0.814 4 S HN 0.822 nan 8.310 nan 0.000 0.477 5 A N 0.878 123.698 122.820 0.001 0.000 2.412 5 A HA 0.696 5.012 4.320 -0.005 0.000 0.334 5 A C 0.039 177.722 177.584 0.165 0.000 1.419 5 A CA -0.366 51.709 52.037 0.064 0.000 0.930 5 A CB 0.482 19.515 19.000 0.056 0.000 1.149 5 A HN 0.316 nan 8.150 nan 0.000 0.515 6 L N 1.317 122.617 121.223 0.129 0.000 2.186 6 L HA 0.265 4.601 4.340 -0.005 0.000 0.182 6 L C 1.484 178.449 176.870 0.158 0.000 1.190 6 L CA 0.971 55.891 54.840 0.133 0.000 1.051 6 L CB -0.395 41.665 42.059 0.001 0.000 2.162 6 L HN 0.633 nan 8.230 nan 0.000 0.494 7 H N 1.360 120.411 119.070 -0.032 0.000 2.357 7 H HA 0.195 4.748 4.556 -0.005 0.000 0.301 7 H C 0.217 175.692 175.328 0.245 0.000 1.082 7 H CA 0.920 56.992 56.048 0.040 0.000 1.342 7 H CB -0.141 29.666 29.762 0.075 0.000 1.389 7 H HN 0.079 nan 8.280 nan 0.000 0.511 8 R N 1.395 122.093 120.500 0.329 0.000 2.248 8 R HA 0.316 4.653 4.340 -0.005 0.000 0.337 8 R C 1.032 177.492 176.300 0.266 0.000 1.085 8 R CA 0.320 56.581 56.100 0.267 0.000 0.934 8 R CB 0.438 30.858 30.300 0.200 0.000 1.034 8 R HN 0.220 nan 8.270 nan 0.000 0.465 9 A N 3.243 126.219 122.820 0.259 0.000 1.940 9 A HA -0.218 4.098 4.320 -0.005 0.000 0.219 9 A C 2.088 179.880 177.584 0.345 0.000 1.176 9 A CA 2.011 54.222 52.037 0.291 0.000 0.631 9 A CB -0.216 18.917 19.000 0.221 0.000 0.814 9 A HN 0.750 nan 8.150 nan 0.000 0.446 10 A N -0.094 122.867 122.820 0.236 0.000 1.897 10 A HA -0.112 4.204 4.320 -0.005 0.000 0.215 10 A C 1.777 179.458 177.584 0.162 0.000 1.181 10 A CA 1.717 53.864 52.037 0.183 0.000 0.620 10 A CB -0.523 18.554 19.000 0.128 0.000 0.821 10 A HN 0.446 nan 8.150 nan 0.000 0.443 11 D N -1.134 119.363 120.400 0.162 0.000 2.104 11 D HA -0.198 4.439 4.640 -0.005 0.000 0.194 11 D C 1.549 177.924 176.300 0.126 0.000 0.994 11 D CA 1.432 55.503 54.000 0.118 0.000 0.830 11 D CB -0.598 40.270 40.800 0.114 0.000 0.959 11 D HN 0.728 nan 8.370 nan 0.000 0.452 12 W N 2.051 123.368 121.300 0.028 0.000 2.318 12 W HA -0.260 4.397 4.660 -0.005 0.000 0.313 12 W C 2.373 178.886 176.519 -0.011 0.000 1.221 12 W CA 2.796 60.145 57.345 0.005 0.000 1.266 12 W CB -0.431 29.049 29.460 0.033 0.000 1.150 12 W HN -0.021 nan 8.180 nan 0.000 0.496 13 A N 0.190 123.017 122.820 0.011 0.000 1.930 13 A HA -0.179 4.138 4.320 -0.005 0.000 0.217 13 A C 2.066 179.524 177.584 -0.210 0.000 1.175 13 A CA 1.824 53.724 52.037 -0.228 0.000 0.627 13 A CB -0.886 18.207 19.000 0.156 0.000 0.815 13 A HN 0.405 nan 8.150 nan 0.000 0.443 14 K N 0.427 120.761 120.400 -0.110 0.000 2.009 14 K HA -0.180 4.137 4.320 -0.005 0.000 0.210 14 K C 2.442 178.931 176.600 -0.184 0.000 1.049 14 K CA 1.907 58.134 56.287 -0.100 0.000 0.929 14 K CB -0.231 32.241 32.500 -0.047 0.000 0.714 14 K HN 0.630 nan 8.250 nan 0.000 0.440 15 S N 0.055 115.615 115.700 -0.234 0.000 2.370 15 S HA -0.129 4.338 4.470 -0.005 0.000 0.226 15 S C 2.051 176.399 174.600 -0.420 0.000 1.033 15 S CA 1.561 59.599 58.200 -0.270 0.000 1.011 15 S CB -0.630 62.434 63.200 -0.226 0.000 0.852 15 S HN 0.133 nan 8.310 nan 0.000 0.457 16 V N -0.224 119.269 119.914 -0.702 0.000 2.548 16 V HA 0.118 4.235 4.120 -0.005 0.000 0.249 16 V C 1.668 177.170 176.094 -0.987 0.000 1.055 16 V CA 1.558 63.235 62.300 -1.039 0.000 1.065 16 V CB -0.700 30.101 31.823 -1.703 0.000 0.681 16 V HN 0.604 nan 8.190 nan 0.000 0.462 17 F N -1.002 118.694 119.950 -0.423 0.000 2.817 17 F HA 0.084 4.608 4.527 -0.005 0.000 0.333 17 F C 2.200 177.871 175.800 -0.214 0.000 1.085 17 F CA 0.424 58.225 58.000 -0.333 0.000 1.170 17 F CB 0.283 39.083 39.000 -0.333 0.000 1.066 17 F HN 0.082 nan 8.300 nan 0.000 0.564 18 S N -0.511 115.165 115.700 -0.041 0.000 2.507 18 S HA -0.157 4.310 4.470 -0.005 0.000 0.235 18 S C 1.996 176.575 174.600 -0.035 0.000 0.988 18 S CA 0.946 59.126 58.200 -0.034 0.000 0.944 18 S CB -0.617 62.554 63.200 -0.050 0.000 0.762 18 S HN 0.388 nan 8.310 nan 0.000 0.526 19 S N 2.184 117.853 115.700 -0.053 0.000 2.436 19 S HA 0.321 4.787 4.470 -0.005 0.000 0.228 19 S C 1.068 175.656 174.600 -0.019 0.000 1.014 19 S CA 0.167 58.340 58.200 -0.046 0.000 0.950 19 S CB -0.826 62.331 63.200 -0.072 0.000 0.784 19 S HN 0.752 nan 8.310 nan 0.000 0.504 20 A N 1.742 124.566 122.820 0.006 0.000 2.572 20 A HA 0.443 4.760 4.320 -0.005 0.000 0.256 20 A C 0.631 178.223 177.584 0.013 0.000 1.041 20 A CA 0.471 52.523 52.037 0.025 0.000 0.790 20 A CB -0.721 18.313 19.000 0.056 0.000 0.947 20 A HN 1.063 nan 8.150 nan 0.000 0.518 21 A N 3.730 126.554 122.820 0.007 0.000 2.798 21 A HA 0.525 4.842 4.320 -0.005 0.000 0.316 21 A C 0.717 178.301 177.584 0.001 0.000 1.506 21 A CA -0.430 51.608 52.037 0.002 0.000 1.162 21 A CB -0.384 18.614 19.000 -0.002 0.000 1.138 21 A HN 0.886 nan 8.150 nan 0.000 0.532 22 L N 1.625 122.851 121.223 0.005 0.000 2.616 22 L HA 0.294 4.631 4.340 -0.005 0.000 0.229 22 L C 1.473 178.337 176.870 -0.011 0.000 1.110 22 L CA 0.589 55.426 54.840 -0.005 0.000 0.884 22 L CB 0.166 42.234 42.059 0.015 0.000 1.115 22 L HN 0.889 nan 8.230 nan 0.000 0.481 23 G N 0.639 109.437 108.800 -0.004 0.000 2.164 23 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.212 23 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.212 23 G C -0.324 174.575 174.900 -0.002 0.000 1.031 23 G CA 0.042 45.138 45.100 -0.006 0.000 0.730 23 G HN 0.365 nan 8.290 nan 0.000 0.501 24 D N -1.083 119.320 120.400 0.005 0.000 2.085 24 D HA 0.130 4.767 4.640 -0.005 0.000 0.147 24 D C -1.791 174.520 176.300 0.017 0.000 1.121 24 D CA -0.174 53.832 54.000 0.010 0.000 0.941 24 D CB 1.048 41.855 40.800 0.011 0.000 2.846 24 D HN -0.047 nan 8.370 nan 0.000 0.517 25 P HA -0.117 nan 4.420 nan 0.000 0.221 25 P C 1.223 178.533 177.300 0.017 0.000 1.145 25 P CA 0.669 63.775 63.100 0.011 0.000 0.795 25 P CB 0.379 32.082 31.700 0.005 0.000 0.775 26 R N -0.088 120.425 120.500 0.023 0.000 2.152 26 R HA -0.053 4.284 4.340 -0.005 0.000 0.232 26 R C 2.572 178.906 176.300 0.057 0.000 1.117 26 R CA 1.122 57.240 56.100 0.031 0.000 0.981 26 R CB -0.374 29.945 30.300 0.031 0.000 0.870 26 R HN 0.253 nan 8.270 nan 0.000 0.451 27 R N -0.609 119.939 120.500 0.079 0.000 2.093 27 R HA 0.014 4.351 4.340 -0.005 0.000 0.224 27 R C 2.160 178.556 176.300 0.160 0.000 1.101 27 R CA 1.425 57.630 56.100 0.175 0.000 0.979 27 R CB -0.137 30.245 30.300 0.136 0.000 0.877 27 R HN 0.115 nan 8.270 nan 0.000 0.441 28 T N 0.919 115.513 114.554 0.066 0.000 2.737 28 T HA -0.097 4.250 4.350 -0.005 0.000 0.265 28 T C 1.965 176.640 174.700 -0.042 0.000 1.038 28 T CA 1.379 63.487 62.100 0.014 0.000 1.144 28 T CB -0.239 68.636 68.868 0.011 0.000 0.866 28 T HN 0.340 nan 8.240 nan 0.000 0.434 29 A N 1.957 124.761 122.820 -0.028 0.000 1.877 29 A HA -0.139 4.178 4.320 -0.005 0.000 0.216 29 A C 2.255 179.781 177.584 -0.097 0.000 1.186 29 A CA 2.039 54.048 52.037 -0.046 0.000 0.620 29 A CB -0.571 18.417 19.000 -0.020 0.000 0.822 29 A HN 0.314 nan 8.150 nan 0.000 0.443 30 R N -0.218 120.225 120.500 -0.096 0.000 2.083 30 R HA -0.140 4.197 4.340 -0.005 0.000 0.237 30 R C 1.899 177.888 176.300 -0.518 0.000 1.137 30 R CA 1.879 57.861 56.100 -0.197 0.000 0.951 30 R CB -1.117 29.157 30.300 -0.043 0.000 0.851 30 R HN 0.445 nan 8.270 nan 0.000 0.434 31 L N -0.039 120.792 121.223 -0.653 0.000 2.013 31 L HA -0.145 4.191 4.340 -0.005 0.000 0.212 31 L C 2.065 178.604 176.870 -0.552 0.000 1.073 31 L CA 1.792 56.087 54.840 -0.908 0.000 0.753 31 L CB -0.770 40.964 42.059 -0.542 0.000 0.890 31 L HN 0.107 nan 8.230 nan 0.000 0.432 32 V N 0.489 120.231 119.914 -0.287 0.000 2.255 32 V HA -0.319 3.798 4.120 -0.005 0.000 0.247 32 V C 2.467 178.509 176.094 -0.087 0.000 1.051 32 V CA 2.054 64.285 62.300 -0.116 0.000 1.018 32 V CB -0.974 30.817 31.823 -0.055 0.000 0.641 32 V HN 0.544 nan 8.190 nan 0.000 0.445 33 N N 0.237 118.869 118.700 -0.113 0.000 2.061 33 N HA -0.156 4.581 4.740 -0.005 0.000 0.193 33 N C 1.783 177.248 175.510 -0.076 0.000 1.030 33 N CA 1.618 54.628 53.050 -0.067 0.000 0.856 33 N CB -0.669 37.775 38.487 -0.072 0.000 1.023 33 N HN 0.369 nan 8.380 nan 0.000 0.424 34 V N 1.686 121.477 119.914 -0.205 0.000 2.307 34 V HA -0.180 3.937 4.120 -0.005 0.000 0.245 34 V C 2.478 178.528 176.094 -0.072 0.000 1.045 34 V CA 1.779 63.960 62.300 -0.198 0.000 1.024 34 V CB -0.995 30.582 31.823 -0.409 0.000 0.651 34 V HN 0.312 nan 8.190 nan 0.000 0.449 35 A N -0.071 122.701 122.820 -0.079 0.000 1.940 35 A HA -0.170 4.147 4.320 -0.005 0.000 0.219 35 A C 2.412 180.189 177.584 0.323 0.000 1.176 35 A CA 2.270 54.406 52.037 0.165 0.000 0.631 35 A CB -0.784 18.349 19.000 0.221 0.000 0.814 35 A HN 0.584 nan 8.150 nan 0.000 0.446 36 A N 0.381 123.341 122.820 0.233 0.000 1.877 36 A HA -0.226 4.090 4.320 -0.005 0.000 0.216 36 A C 2.229 179.951 177.584 0.229 0.000 1.186 36 A CA 1.815 54.013 52.037 0.268 0.000 0.620 36 A CB -0.774 18.336 19.000 0.184 0.000 0.822 36 A HN 0.784 nan 8.150 nan 0.000 0.443 37 Q N -0.220 119.689 119.800 0.181 0.000 2.084 37 Q HA -0.089 4.248 4.340 -0.005 0.000 0.202 37 Q C 1.985 178.159 176.000 0.290 0.000 0.978 37 Q CA 1.600 57.546 55.803 0.238 0.000 0.844 37 Q CB -0.609 28.228 28.738 0.166 0.000 0.898 37 Q HN 0.594 nan 8.270 nan 0.000 0.426 38 L N 0.771 122.115 121.223 0.201 0.000 2.083 38 L HA -0.126 4.211 4.340 -0.005 0.000 0.209 38 L C 2.706 179.672 176.870 0.161 0.000 1.083 38 L CA 0.980 55.929 54.840 0.182 0.000 0.752 38 L CB -0.655 41.489 42.059 0.142 0.000 0.899 38 L HN 0.350 nan 8.230 nan 0.000 0.433 39 A N 0.010 122.921 122.820 0.152 0.000 1.897 39 A HA -0.209 4.108 4.320 -0.005 0.000 0.215 39 A C 2.410 180.033 177.584 0.065 0.000 1.181 39 A CA 1.540 53.572 52.037 -0.009 0.000 0.620 39 A CB -0.382 18.550 19.000 -0.113 0.000 0.821 39 A HN 0.284 nan 8.150 nan 0.000 0.443 40 K N -1.641 118.840 120.400 0.135 0.000 2.147 40 K HA -0.137 4.180 4.320 -0.005 0.000 0.205 40 K C -0.204 176.341 176.600 -0.091 0.000 1.049 40 K CA 1.186 57.497 56.287 0.040 0.000 0.936 40 K CB -0.164 32.300 32.500 -0.060 0.000 0.722 40 K HN 0.576 nan 8.250 nan 0.000 0.446 41 Y N 0.949 121.388 120.300 0.232 0.000 2.685 41 Y HA 0.239 4.786 4.550 -0.005 0.000 0.339 41 Y C -0.370 175.632 175.900 0.170 0.000 0.961 41 Y CA -0.719 57.526 58.100 0.242 0.000 1.330 41 Y CB 0.824 39.375 38.460 0.151 0.000 1.269 41 Y HN -0.154 nan 8.280 nan 0.000 0.566 42 S N 1.039 116.821 115.700 0.136 0.000 2.596 42 S HA 0.251 4.718 4.470 -0.005 0.000 0.298 42 S C 1.305 175.858 174.600 -0.079 0.000 1.255 42 S CA 1.156 59.222 58.200 -0.224 0.000 1.083 42 S CB 0.170 62.764 63.200 -1.010 0.000 0.837 42 S HN 0.996 nan 8.310 nan 0.000 0.499 43 G N 2.738 111.529 108.800 -0.014 0.000 2.213 43 G HA2 -0.185 3.772 3.960 -0.005 0.000 0.226 43 G HA3 -0.185 3.772 3.960 -0.005 0.000 0.226 43 G C -0.043 174.917 174.900 0.099 0.000 0.992 43 G CA -0.304 44.821 45.100 0.042 0.000 0.632 43 G HN 0.551 nan 8.290 nan 0.000 0.511 44 K N 1.165 121.647 120.400 0.137 0.000 2.211 44 K HA 0.677 4.994 4.320 -0.005 0.000 0.237 44 K C 0.874 177.524 176.600 0.084 0.000 1.002 44 K CA 0.078 56.440 56.287 0.125 0.000 0.885 44 K CB 1.295 33.893 32.500 0.164 0.000 1.136 44 K HN 0.667 nan 8.250 nan 0.000 0.448 45 S N -0.105 115.630 115.700 0.057 0.000 2.566 45 S HA 0.045 4.512 4.470 -0.005 0.000 0.280 45 S C 1.661 176.266 174.600 0.007 0.000 1.343 45 S CA -0.396 57.830 58.200 0.043 0.000 1.036 45 S CB 0.010 63.241 63.200 0.053 0.000 0.866 45 S HN 0.528 nan 8.310 nan 0.000 0.526 46 I N 1.759 122.317 120.570 -0.020 0.000 2.151 46 I HA -0.237 3.930 4.170 -0.005 0.000 0.243 46 I C 2.721 178.797 176.117 -0.069 0.000 1.080 46 I CA 1.870 63.102 61.300 -0.113 0.000 1.339 46 I CB -1.225 36.546 38.000 -0.381 0.000 1.039 46 I HN 0.756 nan 8.210 nan 0.000 0.409 47 T N 1.114 115.684 114.554 0.027 0.000 2.652 47 T HA -0.173 4.173 4.350 -0.005 0.000 0.267 47 T C 1.926 176.596 174.700 -0.050 0.000 1.039 47 T CA 1.539 63.668 62.100 0.049 0.000 1.153 47 T CB -0.332 68.596 68.868 0.100 0.000 0.863 47 T HN 0.235 nan 8.240 nan 0.000 0.428 48 I N 1.615 122.137 120.570 -0.081 0.000 2.361 48 I HA -0.162 4.005 4.170 -0.005 0.000 0.251 48 I C 2.629 178.477 176.117 -0.449 0.000 1.133 48 I CA 1.203 62.389 61.300 -0.190 0.000 1.413 48 I CB -0.266 37.663 38.000 -0.119 0.000 1.073 48 I HN 0.295 nan 8.210 nan 0.000 0.424 49 S N -0.903 114.592 115.700 -0.343 0.000 2.507 49 S HA -0.071 4.396 4.470 -0.005 0.000 0.235 49 S C 1.776 176.223 174.600 -0.255 0.000 0.988 49 S CA 1.157 59.111 58.200 -0.411 0.000 0.944 49 S CB -0.271 62.914 63.200 -0.024 0.000 0.762 49 S HN 0.314 nan 8.310 nan 0.000 0.526 50 S N 1.162 116.756 115.700 -0.177 0.000 2.593 50 S HA 0.184 4.651 4.470 -0.005 0.000 0.217 50 S C 0.089 174.657 174.600 -0.054 0.000 0.966 50 S CA -0.039 58.120 58.200 -0.068 0.000 0.914 50 S CB -0.427 62.758 63.200 -0.025 0.000 0.776 50 S HN 0.712 nan 8.310 nan 0.000 0.523 51 E N 0.364 120.490 120.200 -0.124 0.000 2.238 51 E HA -0.262 4.085 4.350 -0.005 0.000 0.219 51 E C 0.912 177.505 176.600 -0.010 0.000 1.275 51 E CA 0.174 56.545 56.400 -0.048 0.000 0.714 51 E CB -1.925 27.809 29.700 0.056 0.000 1.154 51 E HN 0.655 nan 8.360 nan 0.000 0.363 52 G N 0.008 108.795 108.800 -0.022 0.000 2.189 52 G HA2 -0.412 3.545 3.960 -0.005 0.000 0.267 52 G HA3 -0.412 3.545 3.960 -0.005 0.000 0.267 52 G C 0.285 175.192 174.900 0.011 0.000 0.975 52 G CA 0.512 45.611 45.100 -0.001 0.000 0.644 52 G HN 0.698 nan 8.290 nan 0.000 0.537 53 S N 0.324 116.032 115.700 0.013 0.000 2.416 53 S HA 0.469 4.936 4.470 -0.005 0.000 0.287 53 S C 1.628 176.244 174.600 0.028 0.000 1.139 53 S CA 0.220 58.433 58.200 0.022 0.000 1.058 53 S CB 0.959 64.175 63.200 0.026 0.000 0.967 53 S HN 0.270 nan 8.310 nan 0.000 0.495 54 K N 4.140 124.558 120.400 0.029 0.000 2.152 54 K HA -0.114 4.203 4.320 -0.005 0.000 0.206 54 K C 2.015 178.640 176.600 0.043 0.000 1.048 54 K CA 1.472 57.782 56.287 0.037 0.000 0.933 54 K CB -0.680 31.838 32.500 0.030 0.000 0.721 54 K HN 0.787 nan 8.250 nan 0.000 0.447 55 A N 0.895 123.736 122.820 0.035 0.000 1.858 55 A HA -0.117 4.200 4.320 -0.005 0.000 0.216 55 A C 2.369 179.976 177.584 0.039 0.000 1.190 55 A CA 2.247 54.305 52.037 0.035 0.000 0.617 55 A CB -0.738 18.279 19.000 0.028 0.000 0.827 55 A HN 0.362 nan 8.150 nan 0.000 0.443 56 A N -1.212 121.627 122.820 0.032 0.000 1.930 56 A HA -0.163 4.153 4.320 -0.005 0.000 0.217 56 A C 2.203 179.804 177.584 0.029 0.000 1.175 56 A CA 1.688 53.738 52.037 0.023 0.000 0.627 56 A CB -0.570 18.441 19.000 0.018 0.000 0.815 56 A HN 0.663 nan 8.150 nan 0.000 0.443 57 Q N -0.538 119.293 119.800 0.052 0.000 2.002 57 Q HA -0.232 4.104 4.340 -0.005 0.000 0.204 57 Q C 1.933 178.041 176.000 0.179 0.000 0.988 57 Q CA 1.769 57.634 55.803 0.104 0.000 0.843 57 Q CB -0.192 28.628 28.738 0.137 0.000 0.908 57 Q HN 0.601 nan 8.270 nan 0.000 0.420 58 E N -0.446 119.843 120.200 0.148 0.000 2.097 58 E HA -0.183 4.164 4.350 -0.005 0.000 0.196 58 E C 1.856 178.538 176.600 0.137 0.000 1.000 58 E CA 1.278 57.767 56.400 0.149 0.000 0.804 58 E CB -0.480 29.274 29.700 0.090 0.000 0.740 58 E HN 0.581 nan 8.360 nan 0.000 0.454 59 G N 1.115 109.970 108.800 0.091 0.000 2.421 59 G HA2 -0.218 3.738 3.960 -0.005 0.000 0.216 59 G HA3 -0.218 3.738 3.960 -0.005 0.000 0.216 59 G C 1.768 176.721 174.900 0.088 0.000 1.171 59 G CA 1.494 46.640 45.100 0.077 0.000 0.775 59 G HN 0.407 nan 8.290 nan 0.000 0.543 60 A N 0.037 122.873 122.820 0.026 0.000 1.883 60 A HA -0.024 4.292 4.320 -0.005 0.000 0.217 60 A C 2.250 179.838 177.584 0.006 0.000 1.186 60 A CA 1.600 53.608 52.037 -0.048 0.000 0.624 60 A CB -0.702 18.187 19.000 -0.185 0.000 0.822 60 A HN 0.462 nan 8.150 nan 0.000 0.444 61 Y N -0.455 119.897 120.300 0.087 0.000 2.242 61 Y HA -0.144 4.403 4.550 -0.005 0.000 0.291 61 Y C 2.730 178.678 175.900 0.080 0.000 1.137 61 Y CA 1.518 59.664 58.100 0.078 0.000 1.181 61 Y CB -0.106 38.384 38.460 0.049 0.000 0.989 61 Y HN 0.219 nan 8.280 nan 0.000 0.527 62 R N -0.994 119.642 120.500 0.227 0.000 2.115 62 R HA -0.175 4.162 4.340 -0.005 0.000 0.230 62 R C 2.037 178.414 176.300 0.129 0.000 1.111 62 R CA 1.628 57.816 56.100 0.147 0.000 0.976 62 R CB -0.558 29.814 30.300 0.120 0.000 0.870 62 R HN 0.334 nan 8.270 nan 0.000 0.445 63 F N 1.857 121.816 119.950 0.016 0.000 2.146 63 F HA -0.093 4.431 4.527 -0.005 0.000 0.298 63 F C 1.905 177.694 175.800 -0.020 0.000 1.096 63 F CA 1.323 59.312 58.000 -0.018 0.000 1.275 63 F CB -0.020 38.952 39.000 -0.047 0.000 1.008 63 F HN -0.103 nan 8.300 nan 0.000 0.480 64 I N -0.455 120.191 120.570 0.126 0.000 3.428 64 I HA 0.031 4.198 4.170 -0.005 0.000 0.286 64 I C 1.737 177.841 176.117 -0.021 0.000 1.287 64 I CA 0.663 61.981 61.300 0.030 0.000 1.396 64 I CB -0.589 37.490 38.000 0.132 0.000 1.062 64 I HN 0.141 nan 8.210 nan 0.000 0.471 65 R N 0.786 121.286 120.500 0.001 0.000 2.468 65 R HA 0.232 4.569 4.340 -0.005 0.000 0.280 65 R C 0.224 176.484 176.300 -0.066 0.000 0.963 65 R CA -0.355 55.737 56.100 -0.013 0.000 1.083 65 R CB -0.459 29.863 30.300 0.036 0.000 1.200 65 R HN 0.160 nan 8.270 nan 0.000 0.541 66 N N 3.036 121.646 118.700 -0.150 0.000 2.420 66 N HA 0.073 4.810 4.740 -0.005 0.000 0.262 66 N C -1.662 173.750 175.510 -0.164 0.000 1.144 66 N CA -1.983 50.967 53.050 -0.166 0.000 0.952 66 N CB 1.510 39.840 38.487 -0.263 0.000 1.081 66 N HN 0.086 nan 8.380 nan 0.000 0.480 67 P HA 0.004 nan 4.420 nan 0.000 0.237 67 P C -0.312 176.935 177.300 -0.088 0.000 1.178 67 P CA 0.814 63.864 63.100 -0.083 0.000 0.766 67 P CB 0.308 31.977 31.700 -0.052 0.000 0.876 68 N N -0.879 117.760 118.700 -0.102 0.000 2.280 68 N HA 0.074 4.811 4.740 -0.005 0.000 0.192 68 N C -0.200 175.235 175.510 -0.126 0.000 1.109 68 N CA 0.014 53.010 53.050 -0.090 0.000 0.855 68 N CB 0.270 38.717 38.487 -0.066 0.000 0.974 68 N HN -0.058 nan 8.380 nan 0.000 0.482 69 V N 1.013 120.808 119.914 -0.198 0.000 2.350 69 V HA 0.247 4.364 4.120 -0.005 0.000 0.276 69 V C 0.037 176.006 176.094 -0.209 0.000 1.028 69 V CA -0.779 61.359 62.300 -0.270 0.000 0.860 69 V CB 1.225 32.702 31.823 -0.577 0.000 0.990 69 V HN 0.146 nan 8.190 nan 0.000 0.453 70 S N 4.793 120.404 115.700 -0.147 0.000 2.411 70 S HA 0.468 4.935 4.470 -0.005 0.000 0.294 70 S C 1.327 175.849 174.600 -0.130 0.000 1.115 70 S CA -0.022 58.106 58.200 -0.120 0.000 1.071 70 S CB 1.300 64.454 63.200 -0.077 0.000 0.967 70 S HN 0.939 nan 8.310 nan 0.000 0.488 71 A N 4.537 127.253 122.820 -0.173 0.000 1.892 71 A HA -0.152 4.165 4.320 -0.005 0.000 0.218 71 A C 1.972 179.446 177.584 -0.184 0.000 1.188 71 A CA 2.083 53.993 52.037 -0.213 0.000 0.631 71 A CB -1.089 17.697 19.000 -0.357 0.000 0.822 71 A HN 0.947 nan 8.150 nan 0.000 0.447 72 E N -0.487 119.608 120.200 -0.174 0.000 2.086 72 E HA -0.227 4.120 4.350 -0.005 0.000 0.200 72 E C 2.148 178.732 176.600 -0.028 0.000 1.012 72 E CA 1.465 57.805 56.400 -0.101 0.000 0.812 72 E CB -0.287 29.376 29.700 -0.061 0.000 0.743 72 E HN 0.600 nan 8.360 nan 0.000 0.453 73 A N 0.338 123.142 122.820 -0.027 0.000 1.969 73 A HA -0.138 4.179 4.320 -0.005 0.000 0.218 73 A C 2.102 179.706 177.584 0.033 0.000 1.169 73 A CA 1.068 53.106 52.037 0.002 0.000 0.635 73 A CB -0.484 18.510 19.000 -0.012 0.000 0.810 73 A HN 0.297 nan 8.150 nan 0.000 0.445 74 I N -0.658 119.931 120.570 0.032 0.000 2.113 74 I HA -0.294 3.873 4.170 -0.005 0.000 0.238 74 I C 2.758 179.000 176.117 0.208 0.000 1.070 74 I CA 1.539 62.895 61.300 0.094 0.000 1.332 74 I CB -0.339 37.696 38.000 0.059 0.000 1.044 74 I HN 0.286 nan 8.210 nan 0.000 0.402 75 R N 0.553 121.191 120.500 0.231 0.000 2.105 75 R HA -0.211 4.126 4.340 -0.005 0.000 0.239 75 R C 2.327 178.797 176.300 0.283 0.000 1.135 75 R CA 1.255 57.590 56.100 0.392 0.000 0.967 75 R CB -0.409 30.023 30.300 0.219 0.000 0.861 75 R HN 0.354 nan 8.270 nan 0.000 0.442 76 K N 0.794 121.279 120.400 0.142 0.000 2.097 76 K HA -0.096 4.221 4.320 -0.005 0.000 0.205 76 K C 2.038 178.662 176.600 0.039 0.000 1.050 76 K CA 1.320 57.663 56.287 0.093 0.000 0.938 76 K CB -0.032 32.504 32.500 0.059 0.000 0.718 76 K HN 0.160 nan 8.250 nan 0.000 0.442 77 A N 0.670 123.499 122.820 0.016 0.000 1.930 77 A HA -0.032 4.285 4.320 -0.005 0.000 0.217 77 A C 2.319 179.764 177.584 -0.232 0.000 1.175 77 A CA 1.696 53.701 52.037 -0.054 0.000 0.627 77 A CB -0.960 18.051 19.000 0.018 0.000 0.815 77 A HN 0.517 nan 8.150 nan 0.000 0.443 78 G N -0.390 108.147 108.800 -0.438 0.000 2.418 78 G HA2 0.007 3.964 3.960 -0.005 0.000 0.217 78 G HA3 0.007 3.964 3.960 -0.005 0.000 0.217 78 G C 1.727 176.455 174.900 -0.288 0.000 1.158 78 G CA 1.393 45.888 45.100 -1.010 0.000 0.771 78 G HN 0.761 nan 8.290 nan 0.000 0.545 79 A N 0.485 123.323 122.820 0.029 0.000 1.898 79 A HA 0.051 4.367 4.320 -0.005 0.000 0.216 79 A C 2.388 179.972 177.584 -0.001 0.000 1.181 79 A CA 1.934 54.028 52.037 0.096 0.000 0.620 79 A CB -0.318 18.762 19.000 0.134 0.000 0.819 79 A HN 0.277 nan 8.150 nan 0.000 0.442 80 M N -0.680 118.898 119.600 -0.037 0.000 2.202 80 M HA -0.149 4.328 4.480 -0.005 0.000 0.262 80 M C 2.099 178.349 176.300 -0.085 0.000 1.063 80 M CA 1.676 56.945 55.300 -0.051 0.000 1.097 80 M CB -1.334 31.235 32.600 -0.051 0.000 1.382 80 M HN 0.577 nan 8.290 nan 0.000 0.413 81 Q N 0.320 120.032 119.800 -0.146 0.000 2.050 81 Q HA -0.096 4.241 4.340 -0.005 0.000 0.202 81 Q C 1.852 177.791 176.000 -0.102 0.000 0.980 81 Q CA 2.438 58.139 55.803 -0.169 0.000 0.840 81 Q CB -0.635 27.922 28.738 -0.303 0.000 0.898 81 Q HN 0.499 nan 8.270 nan 0.000 0.424 82 T N 0.076 114.589 114.554 -0.068 0.000 2.624 82 T HA -0.191 4.155 4.350 -0.005 0.000 0.268 82 T C 1.809 176.505 174.700 -0.007 0.000 1.041 82 T CA 1.880 63.969 62.100 -0.019 0.000 1.159 82 T CB -0.671 68.197 68.868 0.001 0.000 0.863 82 T HN 0.139 nan 8.240 nan 0.000 0.434 83 V N 1.508 121.414 119.914 -0.013 0.000 2.282 83 V HA -0.257 3.860 4.120 -0.005 0.000 0.249 83 V C 2.512 178.596 176.094 -0.017 0.000 1.057 83 V CA 2.059 64.354 62.300 -0.009 0.000 1.032 83 V CB -0.599 31.217 31.823 -0.013 0.000 0.645 83 V HN 0.462 nan 8.190 nan 0.000 0.447 84 K N -0.612 119.765 120.400 -0.038 0.000 2.032 84 K HA -0.195 4.122 4.320 -0.005 0.000 0.209 84 K C 2.133 178.705 176.600 -0.047 0.000 1.048 84 K CA 1.475 57.732 56.287 -0.050 0.000 0.927 84 K CB -0.208 32.250 32.500 -0.069 0.000 0.712 84 K HN 0.224 nan 8.250 nan 0.000 0.441 85 L N 0.675 121.882 121.223 -0.027 0.000 2.127 85 L HA -0.117 4.220 4.340 -0.005 0.000 0.211 85 L C 2.317 179.222 176.870 0.057 0.000 1.089 85 L CA 1.892 56.738 54.840 0.010 0.000 0.757 85 L CB -1.316 40.779 42.059 0.060 0.000 0.899 85 L HN 0.282 nan 8.230 nan 0.000 0.434 86 A N -1.551 121.322 122.820 0.088 0.000 2.167 86 A HA -0.127 4.190 4.320 -0.005 0.000 0.214 86 A C 2.035 179.660 177.584 0.069 0.000 1.151 86 A CA 0.324 52.475 52.037 0.191 0.000 0.735 86 A CB -0.275 18.795 19.000 0.117 0.000 0.802 86 A HN 0.490 nan 8.150 nan 0.000 0.467 87 Q N -0.462 119.314 119.800 -0.039 0.000 2.297 87 Q HA -0.217 4.120 4.340 -0.005 0.000 0.208 87 Q C 1.743 177.625 176.000 -0.197 0.000 0.981 87 Q CA 1.439 57.188 55.803 -0.090 0.000 0.876 87 Q CB -0.105 28.578 28.738 -0.092 0.000 0.921 87 Q HN 0.838 nan 8.270 nan 0.000 0.446 88 E N -0.225 119.733 120.200 -0.404 0.000 2.274 88 E HA -0.068 4.279 4.350 -0.005 0.000 0.194 88 E C -0.533 175.584 176.600 -0.804 0.000 0.996 88 E CA 0.211 56.158 56.400 -0.755 0.000 0.840 88 E CB 0.323 29.286 29.700 -1.228 0.000 0.772 88 E HN 0.121 nan 8.360 nan 0.000 0.491 89 F N -0.197 119.720 119.950 -0.055 0.000 2.469 89 F HA 0.293 4.817 4.527 -0.005 0.000 0.332 89 F C -1.522 174.244 175.800 -0.057 0.000 1.103 89 F CA -2.329 55.634 58.000 -0.063 0.000 0.979 89 F CB 1.491 40.446 39.000 -0.074 0.000 1.137 89 F HN -0.133 nan 8.300 nan 0.000 0.463 90 P HA -0.023 nan 4.420 nan 0.000 0.230 90 P C -0.392 176.928 177.300 0.032 0.000 1.168 90 P CA 0.824 63.951 63.100 0.044 0.000 0.793 90 P CB 0.776 32.486 31.700 0.016 0.000 0.851 91 E N -0.231 119.989 120.200 0.033 0.000 2.290 91 E HA 0.537 4.884 4.350 -0.005 0.000 0.274 91 E C -1.548 175.024 176.600 -0.046 0.000 0.889 91 E CA -0.671 55.722 56.400 -0.013 0.000 0.760 91 E CB 1.427 31.102 29.700 -0.043 0.000 1.206 91 E HN -0.119 nan 8.360 nan 0.000 0.419 92 L N 3.673 124.872 121.223 -0.041 0.000 2.354 92 L HA 0.550 4.886 4.340 -0.005 0.000 0.264 92 L C -0.851 175.988 176.870 -0.052 0.000 1.008 92 L CA -0.803 53.993 54.840 -0.073 0.000 0.819 92 L CB 1.756 43.791 42.059 -0.039 0.000 1.339 92 L HN 0.433 nan 8.230 nan 0.000 0.420 93 L N 1.831 123.014 121.223 -0.067 0.000 2.317 93 L HA 0.763 5.100 4.340 -0.005 0.000 0.281 93 L C -0.067 176.789 176.870 -0.024 0.000 1.024 93 L CA -0.705 54.124 54.840 -0.019 0.000 0.810 93 L CB 1.669 43.726 42.059 -0.004 0.000 1.240 93 L HN 0.684 nan 8.230 nan 0.000 0.427 94 A N 5.316 128.147 122.820 0.018 0.000 2.511 94 A HA 0.597 4.914 4.320 -0.005 0.000 0.340 94 A C -0.248 177.359 177.584 0.039 0.000 1.396 94 A CA -0.430 51.617 52.037 0.016 0.000 0.887 94 A CB -0.125 18.906 19.000 0.051 0.000 1.145 94 A HN 0.657 nan 8.150 nan 0.000 0.497 95 I N 1.400 121.958 120.570 -0.021 0.000 2.371 95 I HA 0.285 4.452 4.170 -0.005 0.000 0.290 95 I C 0.405 176.509 176.117 -0.021 0.000 1.028 95 I CA 0.039 61.332 61.300 -0.013 0.000 1.345 95 I CB 1.163 39.113 38.000 -0.083 0.000 1.407 95 I HN 0.666 nan 8.210 nan 0.000 0.501 96 E N 5.503 125.745 120.200 0.071 0.000 2.224 96 E HA 0.431 4.777 4.350 -0.005 0.000 0.265 96 E C -1.641 175.022 176.600 0.105 0.000 0.878 96 E CA -0.459 55.967 56.400 0.043 0.000 0.759 96 E CB 1.813 31.639 29.700 0.211 0.000 1.164 96 E HN 0.586 nan 8.360 nan 0.000 0.414 97 D N 1.477 121.806 120.400 -0.117 0.000 2.710 97 D HA 0.276 4.913 4.640 -0.005 0.000 0.276 97 D C -1.438 174.904 176.300 0.070 0.000 1.267 97 D CA -0.285 53.770 54.000 0.092 0.000 0.772 97 D CB 2.142 43.100 40.800 0.263 0.000 1.299 97 D HN 0.319 nan 8.370 nan 0.000 0.421 98 T N 0.643 115.359 114.554 0.270 0.000 2.902 98 T HA 0.674 5.021 4.350 -0.005 0.000 0.283 98 T C -0.233 174.520 174.700 0.087 0.000 1.009 98 T CA -0.340 61.910 62.100 0.251 0.000 1.051 98 T CB 1.688 70.722 68.868 0.276 0.000 0.999 98 T HN 0.274 nan 8.240 nan 0.000 0.474 99 T N 0.794 115.272 114.554 -0.127 0.000 2.865 99 T HA 0.668 5.015 4.350 -0.005 0.000 0.294 99 T C -0.910 173.678 174.700 -0.185 0.000 1.119 99 T CA -0.690 61.225 62.100 -0.309 0.000 1.007 99 T CB 1.316 69.581 68.868 -1.006 0.000 1.225 99 T HN 0.716 nan 8.240 nan 0.000 0.515 100 S N 1.657 117.147 115.700 -0.351 0.000 2.537 100 S HA 0.761 5.228 4.470 -0.005 0.000 0.301 100 S C -0.945 173.285 174.600 -0.618 0.000 1.092 100 S CA -0.820 56.968 58.200 -0.686 0.000 1.048 100 S CB 0.735 63.318 63.200 -1.029 0.000 1.053 100 S HN 0.586 nan 8.310 nan 0.000 0.501 101 L N 2.540 123.406 121.223 -0.596 0.000 2.298 101 L HA 0.588 4.924 4.340 -0.005 0.000 0.284 101 L C 0.061 176.679 176.870 -0.419 0.000 1.013 101 L CA -0.369 54.170 54.840 -0.502 0.000 0.824 101 L CB 1.747 43.603 42.059 -0.339 0.000 1.221 101 L HN 0.789 nan 8.230 nan 0.000 0.418 102 S N 2.684 117.981 115.700 -0.672 0.000 2.500 102 S HA 0.758 5.225 4.470 -0.005 0.000 0.301 102 S C -1.257 172.859 174.600 -0.807 0.000 1.092 102 S CA -0.278 57.582 58.200 -0.567 0.000 1.030 102 S CB 0.731 63.667 63.200 -0.440 0.000 1.031 102 S HN 0.354 nan 8.310 nan 0.000 0.483 103 Y N 1.956 122.180 120.300 -0.127 0.000 2.588 103 Y HA 0.544 5.091 4.550 -0.005 0.000 0.343 103 Y C 0.857 176.737 175.900 -0.034 0.000 1.065 103 Y CA -0.912 57.178 58.100 -0.016 0.000 1.038 103 Y CB 1.975 40.458 38.460 0.037 0.000 1.297 103 Y HN 0.620 nan 8.280 nan 0.000 0.467 104 R N -0.387 120.244 120.500 0.218 0.000 2.541 104 R HA 0.102 4.439 4.340 -0.005 0.000 0.332 104 R C 0.017 176.397 176.300 0.134 0.000 0.951 104 R CA -0.299 55.860 56.100 0.097 0.000 1.136 104 R CB 0.370 30.698 30.300 0.046 0.000 1.449 104 R HN 0.656 nan 8.270 nan 0.000 0.531 105 H N 0.029 119.123 119.070 0.039 0.000 2.408 105 H HA 0.121 4.674 4.556 -0.005 0.000 0.345 105 H C 0.795 176.117 175.328 -0.009 0.000 1.547 105 H CA -0.348 55.709 56.048 0.016 0.000 1.447 105 H CB 0.582 30.360 29.762 0.028 0.000 1.686 105 H HN -0.236 nan 8.280 nan 0.000 0.625 106 Q N -0.253 119.518 119.800 -0.049 0.000 2.234 106 Q HA -0.085 4.252 4.340 -0.005 0.000 0.206 106 Q C 2.048 177.926 176.000 -0.204 0.000 0.980 106 Q CA 1.462 57.206 55.803 -0.098 0.000 0.869 106 Q CB -0.641 28.076 28.738 -0.034 0.000 0.912 106 Q HN 0.538 nan 8.270 nan 0.000 0.436 107 V N -0.186 119.498 119.914 -0.384 0.000 2.970 107 V HA -0.130 3.987 4.120 -0.005 0.000 0.260 107 V C 1.824 177.698 176.094 -0.368 0.000 1.100 107 V CA 1.394 63.470 62.300 -0.372 0.000 1.122 107 V CB -0.600 30.963 31.823 -0.434 0.000 0.721 107 V HN 0.491 nan 8.190 nan 0.000 0.483 108 A N 0.650 123.242 122.820 -0.380 0.000 1.978 108 A HA -0.247 4.070 4.320 -0.005 0.000 0.220 108 A C 2.098 179.554 177.584 -0.213 0.000 1.170 108 A CA 1.805 53.682 52.037 -0.266 0.000 0.636 108 A CB -0.456 18.451 19.000 -0.156 0.000 0.810 108 A HN 0.849 nan 8.150 nan 0.000 0.448 109 E N -0.086 120.010 120.200 -0.172 0.000 2.427 109 E HA -0.113 4.234 4.350 -0.005 0.000 0.196 109 E C 1.007 177.527 176.600 -0.132 0.000 1.028 109 E CA 0.979 57.302 56.400 -0.129 0.000 0.864 109 E CB -0.217 29.427 29.700 -0.092 0.000 0.813 109 E HN 0.725 nan 8.360 nan 0.000 0.514 110 E N 0.684 120.785 120.200 -0.166 0.000 2.465 110 E HA 0.180 4.527 4.350 -0.005 0.000 0.191 110 E C 0.312 176.789 176.600 -0.205 0.000 1.053 110 E CA -0.173 56.137 56.400 -0.149 0.000 0.869 110 E CB 0.361 29.985 29.700 -0.127 0.000 0.977 110 E HN 0.295 nan 8.360 nan 0.000 0.483 111 L N -0.803 120.252 121.223 -0.279 0.000 2.491 111 L HA 0.525 4.862 4.340 -0.005 0.000 0.264 111 L C 0.907 177.602 176.870 -0.292 0.000 1.053 111 L CA -1.098 53.490 54.840 -0.419 0.000 0.858 111 L CB 0.531 42.210 42.059 -0.634 0.000 1.519 111 L HN -0.056 nan 8.230 nan 0.000 0.508 112 G N -0.497 108.100 108.800 -0.339 0.000 2.488 112 G HA2 0.332 4.289 3.960 -0.005 0.000 0.318 112 G HA3 0.332 4.289 3.960 -0.005 0.000 0.318 112 G C -0.998 173.822 174.900 -0.134 0.000 1.188 112 G CA -0.527 44.477 45.100 -0.161 0.000 0.944 112 G HN 0.459 nan 8.290 nan 0.000 0.495 113 K N -0.061 120.336 120.400 -0.005 0.000 2.401 113 K HA 0.254 4.571 4.320 -0.005 0.000 0.278 113 K C 0.543 177.197 176.600 0.090 0.000 1.018 113 K CA -0.100 56.210 56.287 0.039 0.000 0.981 113 K CB 0.407 32.969 32.500 0.103 0.000 0.933 113 K HN 0.368 nan 8.250 nan 0.000 0.477 114 L N 2.234 123.459 121.223 0.003 0.000 2.653 114 L HA 0.266 4.602 4.340 -0.005 0.000 0.230 114 L C 1.201 178.176 176.870 0.177 0.000 1.055 114 L CA 0.117 54.967 54.840 0.018 0.000 0.880 114 L CB 0.675 42.524 42.059 -0.351 0.000 1.195 114 L HN 0.856 nan 8.230 nan 0.000 0.492 115 G N -0.283 108.567 108.800 0.082 0.000 3.054 115 G HA2 0.251 4.208 3.960 -0.005 0.000 0.201 115 G HA3 0.251 4.208 3.960 -0.005 0.000 0.201 115 G C -0.207 174.733 174.900 0.067 0.000 1.694 115 G CA 0.553 45.702 45.100 0.081 0.000 0.742 115 G HN 0.141 nan 8.290 nan 0.000 0.790 116 S N -0.452 115.271 115.700 0.037 0.000 2.672 116 S HA 0.415 4.882 4.470 -0.005 0.000 0.276 116 S C 1.333 175.946 174.600 0.022 0.000 1.207 116 S CA -0.551 57.668 58.200 0.031 0.000 1.002 116 S CB 1.546 64.758 63.200 0.020 0.000 0.998 116 S HN 0.333 nan 8.310 nan 0.000 0.542 117 I N 0.825 121.407 120.570 0.021 0.000 2.423 117 I HA -0.232 3.935 4.170 -0.005 0.000 0.254 117 I C 2.295 178.413 176.117 0.001 0.000 1.151 117 I CA 1.368 62.676 61.300 0.013 0.000 1.421 117 I CB -0.405 37.604 38.000 0.015 0.000 1.079 117 I HN 0.662 nan 8.210 nan 0.000 0.431 118 Q N 0.110 119.910 119.800 0.000 0.000 2.389 118 Q HA 0.013 4.350 4.340 -0.005 0.000 0.204 118 Q C 0.117 176.110 176.000 -0.013 0.000 0.944 118 Q CA 0.402 56.202 55.803 -0.006 0.000 0.908 118 Q CB -0.052 28.684 28.738 -0.003 0.000 1.002 118 Q HN 0.362 nan 8.270 nan 0.000 0.493 119 D N 0.741 121.132 120.400 -0.014 0.000 2.472 119 D HA -0.045 4.592 4.640 -0.005 0.000 0.237 119 D C 0.543 176.822 176.300 -0.035 0.000 1.141 119 D CA 0.408 54.394 54.000 -0.024 0.000 0.875 119 D CB 0.815 41.599 40.800 -0.027 0.000 1.192 119 D HN 0.052 nan 8.370 nan 0.000 0.450 120 K N 0.156 120.535 120.400 -0.036 0.000 2.296 120 K HA 0.018 4.335 4.320 -0.005 0.000 0.200 120 K C 0.406 176.973 176.600 -0.054 0.000 1.048 120 K CA 0.330 56.593 56.287 -0.040 0.000 0.966 120 K CB 0.240 32.723 32.500 -0.028 0.000 0.754 120 K HN 0.174 nan 8.250 nan 0.000 0.466 121 S N 1.816 117.478 115.700 -0.063 0.000 2.430 121 S HA 0.201 4.668 4.470 -0.005 0.000 0.282 121 S C -0.149 174.377 174.600 -0.124 0.000 1.186 121 S CA -0.062 58.084 58.200 -0.091 0.000 1.060 121 S CB 0.466 63.602 63.200 -0.106 0.000 0.966 121 S HN 0.179 nan 8.310 nan 0.000 0.501 122 R N 1.041 121.458 120.500 -0.138 0.000 2.831 122 R HA 0.859 5.195 4.340 -0.005 0.000 0.266 122 R C 0.263 176.427 176.300 -0.226 0.000 1.051 122 R CA -0.882 55.103 56.100 -0.193 0.000 0.943 122 R CB 1.952 32.147 30.300 -0.175 0.000 1.228 122 R HN 0.746 nan 8.270 nan 0.000 0.467 123 G N -0.171 108.412 108.800 -0.361 0.000 2.403 123 G HA2 0.097 4.054 3.960 -0.005 0.000 0.223 123 G HA3 0.097 4.054 3.960 -0.005 0.000 0.223 123 G C -1.893 172.661 174.900 -0.577 0.000 1.287 123 G CA -0.818 44.020 45.100 -0.438 0.000 0.982 123 G HN 0.314 nan 8.290 nan 0.000 0.471 124 W N -0.439 120.647 121.300 -0.357 0.000 2.719 124 W HA 0.644 5.300 4.660 -0.005 0.000 0.352 124 W C -1.158 174.885 176.519 -0.794 0.000 1.085 124 W CA -0.895 56.190 57.345 -0.432 0.000 1.187 124 W CB 1.880 31.193 29.460 -0.245 0.000 1.417 124 W HN 0.503 nan 8.180 nan 0.000 0.557 125 W N 1.301 122.288 121.300 -0.521 0.000 2.433 125 W HA 0.489 5.146 4.660 -0.005 0.000 0.315 125 W C -0.557 175.453 176.519 -0.848 0.000 1.087 125 W CA -0.610 56.217 57.345 -0.864 0.000 1.205 125 W CB 1.220 29.783 29.460 -1.495 0.000 1.288 125 W HN -0.283 nan 8.180 nan 0.000 0.504 126 V N 3.040 122.755 119.914 -0.332 0.000 2.487 126 V HA 0.183 4.300 4.120 -0.005 0.000 0.298 126 V C -0.999 175.122 176.094 0.044 0.000 1.028 126 V CA -0.971 61.180 62.300 -0.249 0.000 0.860 126 V CB 1.303 32.861 31.823 -0.442 0.000 0.991 126 V HN 0.440 nan 8.190 nan 0.000 0.427 127 H N 2.530 121.648 119.070 0.081 0.000 2.541 127 H HA 0.681 5.234 4.556 -0.005 0.000 0.316 127 H C -0.316 175.013 175.328 0.002 0.000 1.043 127 H CA 0.196 56.293 56.048 0.081 0.000 1.232 127 H CB 1.402 31.245 29.762 0.135 0.000 1.406 127 H HN 0.658 nan 8.280 nan 0.000 0.469 128 S N 3.482 119.004 115.700 -0.297 0.000 2.532 128 S HA 0.513 4.980 4.470 -0.005 0.000 0.301 128 S C -1.033 173.418 174.600 -0.249 0.000 1.083 128 S CA -0.778 57.295 58.200 -0.210 0.000 1.025 128 S CB 1.594 64.779 63.200 -0.026 0.000 1.056 128 S HN 0.421 nan 8.310 nan 0.000 0.494 129 V N 3.648 123.464 119.914 -0.164 0.000 2.350 129 V HA 0.444 4.561 4.120 -0.005 0.000 0.285 129 V C -0.800 175.166 176.094 -0.214 0.000 1.014 129 V CA -0.605 61.629 62.300 -0.110 0.000 0.831 129 V CB 1.170 33.019 31.823 0.043 0.000 1.000 129 V HN 0.686 nan 8.190 nan 0.000 0.433 130 L N 6.162 127.229 121.223 -0.260 0.000 2.265 130 L HA 0.601 4.938 4.340 -0.005 0.000 0.289 130 L C -0.660 176.080 176.870 -0.217 0.000 1.033 130 L CA -0.182 54.455 54.840 -0.338 0.000 0.814 130 L CB 1.291 43.084 42.059 -0.443 0.000 1.203 130 L HN 0.537 nan 8.230 nan 0.000 0.423 131 L N 5.988 127.095 121.223 -0.192 0.000 2.290 131 L HA 0.497 4.834 4.340 -0.005 0.000 0.284 131 L C -0.651 176.115 176.870 -0.175 0.000 1.078 131 L CA 0.305 55.059 54.840 -0.142 0.000 0.815 131 L CB 0.930 42.929 42.059 -0.100 0.000 1.162 131 L HN 0.530 nan 8.230 nan 0.000 0.435 132 L N 2.845 123.965 121.223 -0.172 0.000 2.333 132 L HA 0.563 4.900 4.340 -0.005 0.000 0.269 132 L C -0.260 176.432 176.870 -0.296 0.000 1.010 132 L CA -1.240 53.470 54.840 -0.216 0.000 0.818 132 L CB 1.802 43.775 42.059 -0.144 0.000 1.306 132 L HN 0.535 nan 8.230 nan 0.000 0.430 133 E N 0.675 120.580 120.200 -0.490 0.000 2.366 133 E HA 0.359 4.706 4.350 -0.005 0.000 0.266 133 E C 0.274 176.594 176.600 -0.467 0.000 1.051 133 E CA -0.273 55.762 56.400 -0.608 0.000 0.884 133 E CB 1.328 30.300 29.700 -1.212 0.000 1.006 133 E HN 0.607 nan 8.360 nan 0.000 0.417 134 A N 2.647 125.229 122.820 -0.397 0.000 2.178 134 A HA 0.005 4.322 4.320 -0.005 0.000 0.211 134 A C 1.629 178.784 177.584 -0.715 0.000 1.157 134 A CA 0.870 52.641 52.037 -0.444 0.000 0.780 134 A CB -0.544 18.321 19.000 -0.226 0.000 0.828 134 A HN 0.669 nan 8.150 nan 0.000 0.476 135 T N -0.033 114.175 114.554 -0.576 0.000 2.735 135 T HA -0.059 4.288 4.350 -0.005 0.000 0.256 135 T C 1.791 176.057 174.700 -0.722 0.000 1.042 135 T CA 1.903 63.693 62.100 -0.517 0.000 1.147 135 T CB -0.451 68.269 68.868 -0.246 0.000 0.865 135 T HN 0.633 nan 8.240 nan 0.000 0.421 136 T N -0.997 113.225 114.554 -0.554 0.000 3.132 136 T HA 0.342 4.689 4.350 -0.005 0.000 0.274 136 T C 0.406 175.033 174.700 -0.122 0.000 1.011 136 T CA -0.551 61.383 62.100 -0.277 0.000 0.899 136 T CB -0.760 68.056 68.868 -0.086 0.000 1.089 136 T HN 0.286 nan 8.240 nan 0.000 0.543 137 F N 0.518 120.362 119.950 -0.177 0.000 3.074 137 F HA -0.203 4.321 4.527 -0.006 0.000 0.289 137 F C 0.585 176.277 175.800 -0.178 0.000 0.863 137 F CA -0.198 57.675 58.000 -0.211 0.000 1.121 137 F CB -2.330 36.553 39.000 -0.194 0.000 1.169 137 F HN 0.236 nan 8.300 nan 0.000 0.570 138 R N -0.233 120.194 120.500 -0.122 0.000 2.560 138 R HA 0.502 4.839 4.340 -0.005 0.000 0.270 138 R C 0.447 176.640 176.300 -0.177 0.000 1.074 138 R CA -0.278 55.754 56.100 -0.114 0.000 1.140 138 R CB 0.562 30.789 30.300 -0.121 0.000 1.073 138 R HN -0.002 nan 8.270 nan 0.000 0.527 139 T N 1.648 116.121 114.554 -0.134 0.000 2.737 139 T HA 0.071 4.418 4.350 -0.005 0.000 0.296 139 T C 1.296 175.909 174.700 -0.145 0.000 0.922 139 T CA -0.412 61.594 62.100 -0.156 0.000 1.079 139 T CB 1.001 69.781 68.868 -0.146 0.000 0.892 139 T HN 0.296 nan 8.240 nan 0.000 0.514 140 V N 2.428 122.241 119.914 -0.168 0.000 2.725 140 V HA 0.370 4.487 4.120 -0.005 0.000 0.247 140 V C 1.476 177.531 176.094 -0.066 0.000 1.058 140 V CA 1.162 63.403 62.300 -0.097 0.000 1.080 140 V CB -1.113 30.649 31.823 -0.101 0.000 0.713 140 V HN 1.219 nan 8.190 nan 0.000 0.465 141 G N -0.503 108.221 108.800 -0.126 0.000 2.331 141 G HA2 0.004 3.961 3.960 -0.005 0.000 0.402 141 G HA3 0.004 3.961 3.960 -0.005 0.000 0.402 141 G C -1.166 173.604 174.900 -0.217 0.000 1.275 141 G CA -0.884 44.132 45.100 -0.140 0.000 1.003 141 G HN 0.116 nan 8.290 nan 0.000 0.500 142 L N 0.631 121.711 121.223 -0.237 0.000 2.319 142 L HA 0.409 4.746 4.340 -0.005 0.000 0.280 142 L C 1.457 178.272 176.870 -0.092 0.000 1.099 142 L CA -0.653 54.001 54.840 -0.310 0.000 0.828 142 L CB 1.301 43.037 42.059 -0.537 0.000 1.150 142 L HN 0.540 nan 8.230 nan 0.000 0.442 143 L N 2.992 124.169 121.223 -0.076 0.000 2.408 143 L HA 0.237 4.573 4.340 -0.005 0.000 0.215 143 L C -0.054 176.886 176.870 0.116 0.000 1.081 143 L CA 0.948 55.800 54.840 0.021 0.000 0.840 143 L CB -0.139 41.928 42.059 0.013 0.000 1.002 143 L HN 0.729 nan 8.230 nan 0.000 0.468 144 H N -0.633 118.406 119.070 -0.051 0.000 3.121 144 H HA 0.539 5.092 4.556 -0.005 0.000 0.337 144 H C -1.666 173.662 175.328 -0.000 0.000 1.198 144 H CA -0.689 55.362 56.048 0.004 0.000 1.274 144 H CB 0.835 30.608 29.762 0.019 0.000 1.954 144 H HN 0.128 nan 8.280 nan 0.000 0.531 145 Q N 2.816 122.287 119.800 -0.549 0.000 2.271 145 Q HA 0.238 4.574 4.340 -0.005 0.000 0.268 145 Q C -1.297 174.516 176.000 -0.312 0.000 1.021 145 Q CA -0.795 54.774 55.803 -0.391 0.000 0.802 145 Q CB 3.101 31.878 28.738 0.064 0.000 1.282 145 Q HN 0.662 nan 8.270 nan 0.000 0.431 146 E N 2.498 122.623 120.200 -0.126 0.000 2.133 146 E HA 0.297 4.644 4.350 -0.005 0.000 0.274 146 E C -1.361 175.561 176.600 0.538 0.000 0.930 146 E CA -0.558 56.025 56.400 0.304 0.000 0.770 146 E CB 0.928 30.866 29.700 0.397 0.000 1.104 146 E HN 0.360 nan 8.360 nan 0.000 0.403 147 W N 5.021 126.456 121.300 0.225 0.000 2.438 147 W HA 0.461 5.118 4.660 -0.005 0.000 0.324 147 W C -0.552 176.243 176.519 0.460 0.000 1.119 147 W CA -0.476 56.993 57.345 0.207 0.000 1.221 147 W CB 0.545 29.981 29.460 -0.040 0.000 1.253 147 W HN 0.448 nan 8.180 nan 0.000 0.555 148 W N 2.179 123.789 121.300 0.518 0.000 3.074 148 W HA 0.728 5.385 4.660 -0.006 0.000 0.332 148 W C -1.825 174.987 176.519 0.488 0.000 1.253 148 W CA -1.626 55.990 57.345 0.451 0.000 1.180 148 W CB 0.862 30.493 29.460 0.286 0.000 1.445 148 W HN 0.081 nan 8.180 nan 0.000 0.573 149 M N 3.819 123.725 119.600 0.509 0.000 2.066 149 M HA 0.335 4.812 4.480 -0.005 0.000 0.340 149 M C 0.198 176.744 176.300 0.410 0.000 1.053 149 M CA -0.814 54.635 55.300 0.248 0.000 0.983 149 M CB 1.549 34.215 32.600 0.109 0.000 1.520 149 M HN 0.607 nan 8.290 nan 0.000 0.428 150 R N 5.306 126.060 120.500 0.423 0.000 2.484 150 R HA 0.223 4.560 4.340 -0.005 0.000 0.293 150 R C -2.348 174.098 176.300 0.245 0.000 1.023 150 R CA -0.931 55.441 56.100 0.453 0.000 1.037 150 R CB 0.432 31.043 30.300 0.518 0.000 0.951 150 R HN 0.288 nan 8.270 nan 0.000 0.418 151 P HA 0.064 nan 4.420 nan 0.000 0.277 151 P C -0.541 176.816 177.300 0.094 0.000 1.240 151 P CA -0.360 62.810 63.100 0.117 0.000 0.798 151 P CB 0.829 32.588 31.700 0.098 0.000 0.979 152 D N -0.447 119.989 120.400 0.061 0.000 2.149 152 D HA -0.137 4.500 4.640 -0.005 0.000 0.198 152 D C 0.419 176.747 176.300 0.048 0.000 0.990 152 D CA 1.761 55.790 54.000 0.048 0.000 0.839 152 D CB -0.241 40.575 40.800 0.028 0.000 0.948 152 D HN 0.421 nan 8.370 nan 0.000 0.460 153 D N -0.375 120.052 120.400 0.045 0.000 2.373 153 D HA 0.087 4.724 4.640 -0.005 0.000 0.227 153 D C -1.639 174.686 176.300 0.042 0.000 1.091 153 D CA -2.226 51.797 54.000 0.038 0.000 0.840 153 D CB 1.880 42.698 40.800 0.029 0.000 1.060 153 D HN -0.093 nan 8.370 nan 0.000 0.502 154 P HA -0.145 nan 4.420 nan 0.000 0.218 154 P C 0.770 178.087 177.300 0.027 0.000 1.146 154 P CA 0.732 63.855 63.100 0.038 0.000 0.813 154 P CB 0.220 31.938 31.700 0.029 0.000 0.778 155 A N -0.603 122.230 122.820 0.023 0.000 2.259 155 A HA -0.015 4.301 4.320 -0.005 0.000 0.208 155 A C 1.410 179.006 177.584 0.019 0.000 1.201 155 A CA 0.644 52.690 52.037 0.017 0.000 0.824 155 A CB -0.698 18.310 19.000 0.013 0.000 0.838 155 A HN 0.008 nan 8.150 nan 0.000 0.485 156 D N 0.218 120.634 120.400 0.028 0.000 2.349 156 D HA 0.258 4.895 4.640 -0.005 0.000 0.214 156 D C 0.659 176.981 176.300 0.036 0.000 1.063 156 D CA 0.405 54.424 54.000 0.032 0.000 0.847 156 D CB 0.335 41.157 40.800 0.038 0.000 0.933 156 D HN 0.392 nan 8.370 nan 0.000 0.513 157 A N 0.982 123.820 122.820 0.029 0.000 2.454 157 A HA 0.065 4.382 4.320 -0.005 0.000 0.260 157 A C 1.111 178.696 177.584 0.001 0.000 1.106 157 A CA -0.214 51.835 52.037 0.019 0.000 0.780 157 A CB 0.565 19.565 19.000 0.001 0.000 1.044 157 A HN -0.100 nan 8.150 nan 0.000 0.498 158 D N 0.812 121.212 120.400 0.000 0.000 2.117 158 D HA -0.047 4.589 4.640 -0.005 0.000 0.197 158 D C 0.329 176.612 176.300 -0.029 0.000 0.987 158 D CA 1.415 55.411 54.000 -0.006 0.000 0.829 158 D CB 0.398 41.201 40.800 0.006 0.000 0.961 158 D HN 0.627 nan 8.370 nan 0.000 0.460 159 E N 0.332 120.494 120.200 -0.064 0.000 2.367 159 E HA 0.215 4.561 4.350 -0.005 0.000 0.273 159 E C -0.393 176.130 176.600 -0.128 0.000 0.903 159 E CA -0.695 55.651 56.400 -0.090 0.000 0.764 159 E CB 2.073 31.706 29.700 -0.112 0.000 1.252 159 E HN -0.153 nan 8.360 nan 0.000 0.446 160 K N 1.553 121.887 120.400 -0.111 0.000 2.326 160 K HA 0.107 4.424 4.320 -0.005 0.000 0.275 160 K C 0.955 177.430 176.600 -0.210 0.000 1.018 160 K CA 0.058 56.273 56.287 -0.120 0.000 0.962 160 K CB 0.673 33.132 32.500 -0.069 0.000 0.953 160 K HN 0.523 nan 8.250 nan 0.000 0.475 161 E N 0.745 120.802 120.200 -0.238 0.000 2.204 161 E HA -0.149 4.198 4.350 -0.005 0.000 0.194 161 E C 1.469 177.882 176.600 -0.312 0.000 0.989 161 E CA 1.275 57.437 56.400 -0.396 0.000 0.824 161 E CB 0.118 29.656 29.700 -0.271 0.000 0.756 161 E HN 0.647 nan 8.360 nan 0.000 0.477 162 S N 0.120 115.742 115.700 -0.129 0.000 2.447 162 S HA -0.065 4.402 4.470 -0.005 0.000 0.233 162 S C 2.049 176.675 174.600 0.043 0.000 1.006 162 S CA 0.758 58.970 58.200 0.021 0.000 0.957 162 S CB -0.337 62.909 63.200 0.076 0.000 0.773 162 S HN 0.285 nan 8.310 nan 0.000 0.507 163 G N 2.746 111.502 108.800 -0.073 0.000 2.653 163 G HA2 -0.134 3.823 3.960 -0.005 0.000 0.212 163 G HA3 -0.134 3.823 3.960 -0.005 0.000 0.212 163 G C 1.370 176.186 174.900 -0.140 0.000 1.138 163 G CA 0.656 45.722 45.100 -0.058 0.000 0.782 163 G HN 0.800 nan 8.290 nan 0.000 0.535 164 K N -0.464 119.722 120.400 -0.356 0.000 2.147 164 K HA -0.142 4.175 4.320 -0.005 0.000 0.205 164 K C 1.929 178.253 176.600 -0.461 0.000 1.049 164 K CA 1.020 56.982 56.287 -0.543 0.000 0.936 164 K CB -0.426 31.495 32.500 -0.965 0.000 0.722 164 K HN 0.461 nan 8.250 nan 0.000 0.446 165 W N 1.406 122.547 121.300 -0.266 0.000 2.388 165 W HA 0.000 4.658 4.660 -0.004 0.000 0.294 165 W C 1.973 178.501 176.519 0.015 0.000 1.212 165 W CA 0.090 57.285 57.345 -0.248 0.000 1.271 165 W CB -0.388 28.619 29.460 -0.755 0.000 1.126 165 W HN -0.036 nan 8.180 nan 0.000 0.535 166 L N 0.281 121.663 121.223 0.264 0.000 2.095 166 L HA -0.019 4.317 4.340 -0.005 0.000 0.204 166 L C 2.682 179.616 176.870 0.106 0.000 1.080 166 L CA 1.689 56.676 54.840 0.244 0.000 0.759 166 L CB -1.444 40.728 42.059 0.188 0.000 0.914 166 L HN -0.008 nan 8.230 nan 0.000 0.439 167 A N -0.127 122.719 122.820 0.043 0.000 1.917 167 A HA -0.270 4.047 4.320 -0.005 0.000 0.219 167 A C 2.483 180.030 177.584 -0.063 0.000 1.182 167 A CA 2.108 54.148 52.037 0.005 0.000 0.633 167 A CB -0.964 18.044 19.000 0.013 0.000 0.819 167 A HN 0.409 nan 8.150 nan 0.000 0.448 168 A N -0.459 122.342 122.820 -0.031 0.000 1.930 168 A HA 0.224 4.541 4.320 -0.005 0.000 0.217 168 A C 2.501 179.994 177.584 -0.151 0.000 1.175 168 A CA 1.937 53.837 52.037 -0.230 0.000 0.627 168 A CB -0.964 18.118 19.000 0.137 0.000 0.815 168 A HN 1.052 nan 8.150 nan 0.000 0.443 169 A N 0.143 122.984 122.820 0.035 0.000 1.858 169 A HA 0.126 4.443 4.320 -0.005 0.000 0.216 169 A C 2.547 180.083 177.584 -0.080 0.000 1.190 169 A CA 2.270 54.328 52.037 0.034 0.000 0.617 169 A CB -1.241 17.826 19.000 0.112 0.000 0.827 169 A HN 1.149 nan 8.150 nan 0.000 0.443 170 A N -1.041 121.726 122.820 -0.088 0.000 1.927 170 A HA -0.177 4.140 4.320 -0.005 0.000 0.220 170 A C 2.304 179.821 177.584 -0.111 0.000 1.185 170 A CA 2.620 54.592 52.037 -0.107 0.000 0.639 170 A CB -1.338 17.626 19.000 -0.061 0.000 0.820 170 A HN 0.476 nan 8.150 nan 0.000 0.451 171 T N -0.330 114.127 114.554 -0.162 0.000 2.812 171 T HA -0.060 4.287 4.350 -0.005 0.000 0.264 171 T C 2.294 176.928 174.700 -0.110 0.000 1.042 171 T CA 1.471 63.477 62.100 -0.156 0.000 1.140 171 T CB -0.284 68.406 68.868 -0.296 0.000 0.870 171 T HN 0.528 nan 8.240 nan 0.000 0.445 172 S N 2.071 117.697 115.700 -0.123 0.000 2.348 172 S HA -0.167 4.300 4.470 -0.005 0.000 0.221 172 S C 2.193 176.767 174.600 -0.043 0.000 1.033 172 S CA 1.452 59.620 58.200 -0.054 0.000 1.010 172 S CB -0.339 62.844 63.200 -0.028 0.000 0.891 172 S HN 0.663 nan 8.310 nan 0.000 0.442 173 R N 1.472 121.934 120.500 -0.065 0.000 2.094 173 R HA -0.103 4.234 4.340 -0.005 0.000 0.239 173 R C 2.283 178.555 176.300 -0.046 0.000 1.137 173 R CA 1.640 57.701 56.100 -0.065 0.000 0.943 173 R CB -1.057 29.167 30.300 -0.127 0.000 0.850 173 R HN 0.344 nan 8.270 nan 0.000 0.433 174 L N 1.129 122.321 121.223 -0.050 0.000 2.013 174 L HA -0.178 4.159 4.340 -0.005 0.000 0.212 174 L C 2.559 179.419 176.870 -0.016 0.000 1.073 174 L CA 1.906 56.728 54.840 -0.029 0.000 0.753 174 L CB -0.370 41.674 42.059 -0.025 0.000 0.890 174 L HN 0.186 nan 8.230 nan 0.000 0.432 175 R N -1.549 118.942 120.500 -0.014 0.000 2.066 175 R HA -0.059 4.278 4.340 -0.005 0.000 0.232 175 R C 2.121 178.418 176.300 -0.006 0.000 1.131 175 R CA 1.647 57.745 56.100 -0.003 0.000 0.955 175 R CB -0.332 29.973 30.300 0.008 0.000 0.851 175 R HN 0.367 nan 8.270 nan 0.000 0.432 176 M N -0.181 119.415 119.600 -0.007 0.000 2.419 176 M HA 0.076 4.553 4.480 -0.005 0.000 0.264 176 M C 1.498 177.795 176.300 -0.005 0.000 1.082 176 M CA 1.109 56.407 55.300 -0.004 0.000 1.119 176 M CB -0.666 31.935 32.600 0.001 0.000 1.398 176 M HN 0.407 nan 8.290 nan 0.000 0.453 177 G N 1.556 110.351 108.800 -0.008 0.000 2.596 177 G HA2 -0.385 3.572 3.960 -0.005 0.000 0.304 177 G HA3 -0.385 3.572 3.960 -0.005 0.000 0.304 177 G C 0.848 175.747 174.900 -0.001 0.000 1.189 177 G CA 1.408 46.505 45.100 -0.006 0.000 0.986 177 G HN 0.523 nan 8.290 nan 0.000 0.548 178 S N 0.233 115.933 115.700 -0.001 0.000 2.555 178 S HA 0.213 4.680 4.470 -0.005 0.000 0.230 178 S C 2.163 176.765 174.600 0.002 0.000 0.978 178 S CA 1.677 59.878 58.200 0.002 0.000 0.934 178 S CB -0.059 63.140 63.200 -0.001 0.000 0.766 178 S HN 0.528 nan 8.310 nan 0.000 0.533 179 M N 0.022 119.623 119.600 0.001 0.000 2.561 179 M HA 0.272 4.749 4.480 -0.005 0.000 0.238 179 M C 1.753 178.059 176.300 0.010 0.000 1.131 179 M CA 0.207 55.509 55.300 0.005 0.000 1.046 179 M CB -0.326 32.277 32.600 0.005 0.000 1.532 179 M HN 0.336 nan 8.290 nan 0.000 0.497 180 M N 0.830 120.435 119.600 0.009 0.000 2.159 180 M HA -0.140 4.337 4.480 -0.005 0.000 0.263 180 M C 2.259 178.571 176.300 0.021 0.000 1.063 180 M CA 1.917 57.225 55.300 0.014 0.000 1.110 180 M CB -0.273 32.332 32.600 0.009 0.000 1.374 180 M HN 0.292 nan 8.290 nan 0.000 0.411 181 S N -1.042 114.669 115.700 0.019 0.000 2.500 181 S HA -0.091 4.376 4.470 -0.005 0.000 0.239 181 S C 1.460 176.068 174.600 0.012 0.000 0.989 181 S CA 1.363 59.574 58.200 0.018 0.000 0.951 181 S CB -1.183 62.026 63.200 0.014 0.000 0.759 181 S HN 0.691 nan 8.310 nan 0.000 0.523 182 N N 0.440 119.147 118.700 0.013 0.000 2.457 182 N HA 0.094 4.831 4.740 -0.005 0.000 0.180 182 N C -0.470 175.048 175.510 0.013 0.000 1.050 182 N CA 0.241 53.298 53.050 0.013 0.000 0.906 182 N CB 0.185 38.684 38.487 0.020 0.000 0.968 182 N HN 0.226 nan 8.380 nan 0.000 0.445 183 V N 2.023 121.948 119.914 0.019 0.000 2.472 183 V HA 0.331 4.448 4.120 -0.005 0.000 0.290 183 V C -0.163 175.954 176.094 0.039 0.000 1.037 183 V CA -0.435 61.880 62.300 0.025 0.000 0.908 183 V CB 1.852 33.693 31.823 0.031 0.000 0.985 183 V HN 0.068 nan 8.190 nan 0.000 0.454 184 I N 4.138 124.733 120.570 0.042 0.000 2.382 184 I HA 0.557 4.723 4.170 -0.005 0.000 0.286 184 I C 0.410 176.593 176.117 0.111 0.000 1.002 184 I CA -0.533 60.806 61.300 0.065 0.000 1.135 184 I CB 1.676 39.700 38.000 0.040 0.000 1.288 184 I HN 0.659 nan 8.210 nan 0.000 0.448 185 A N 6.900 129.829 122.820 0.181 0.000 2.362 185 A HA 0.608 4.925 4.320 -0.005 0.000 0.276 185 A C -0.277 177.468 177.584 0.268 0.000 1.153 185 A CA -0.273 51.906 52.037 0.235 0.000 0.813 185 A CB 0.446 19.638 19.000 0.319 0.000 1.081 185 A HN 0.486 nan 8.150 nan 0.000 0.507 186 V N 2.451 122.502 119.914 0.227 0.000 2.384 186 V HA 0.464 4.580 4.120 -0.005 0.000 0.287 186 V C -0.227 176.020 176.094 0.254 0.000 1.020 186 V CA -0.462 61.982 62.300 0.240 0.000 0.850 186 V CB 0.619 32.544 31.823 0.170 0.000 0.987 186 V HN 1.034 nan 8.190 nan 0.000 0.436 187 C N 3.709 123.175 119.300 0.276 0.000 2.898 187 C HA 0.583 5.040 4.460 -0.005 0.000 0.304 187 C C 0.104 175.205 174.990 0.185 0.000 1.237 187 C CA -1.062 58.083 59.018 0.212 0.000 1.529 187 C CB 1.824 29.577 27.740 0.022 0.000 2.021 187 C HN 0.967 nan 8.230 nan 0.000 0.474 188 D N 0.999 121.481 120.400 0.137 0.000 2.469 188 D HA 0.158 4.795 4.640 -0.005 0.000 0.278 188 D C 0.802 177.064 176.300 -0.064 0.000 1.231 188 D CA -0.435 53.645 54.000 0.133 0.000 1.075 188 D CB 0.580 41.468 40.800 0.147 0.000 1.121 188 D HN 0.475 nan 8.370 nan 0.000 0.571 189 R N -0.473 119.995 120.500 -0.053 0.000 2.159 189 R HA -0.105 4.232 4.340 -0.005 0.000 0.237 189 R C 1.956 178.157 176.300 -0.165 0.000 1.131 189 R CA 1.222 57.247 56.100 -0.124 0.000 0.982 189 R CB -0.055 30.180 30.300 -0.109 0.000 0.868 189 R HN 0.459 nan 8.270 nan 0.000 0.453 190 E N -0.117 120.011 120.200 -0.120 0.000 2.338 190 E HA -0.094 4.252 4.350 -0.005 0.000 0.197 190 E C 1.385 177.695 176.600 -0.482 0.000 1.007 190 E CA 1.010 57.358 56.400 -0.086 0.000 0.849 190 E CB 0.033 29.855 29.700 0.205 0.000 0.774 190 E HN 0.375 nan 8.360 nan 0.000 0.506 191 A N 1.255 123.502 122.820 -0.954 0.000 2.275 191 A HA -0.051 4.266 4.320 -0.005 0.000 0.212 191 A C 1.005 178.232 177.584 -0.596 0.000 1.201 191 A CA -0.058 51.092 52.037 -1.478 0.000 0.843 191 A CB -0.030 17.830 19.000 -1.900 0.000 0.873 191 A HN -0.059 nan 8.150 nan 0.000 0.492 192 D N 1.373 121.589 120.400 -0.307 0.000 2.597 192 D HA 0.175 4.812 4.640 -0.005 0.000 0.228 192 D C -0.415 175.896 176.300 0.018 0.000 1.120 192 D CA 0.331 54.278 54.000 -0.088 0.000 1.083 192 D CB -0.741 40.030 40.800 -0.048 0.000 1.116 192 D HN 0.398 nan 8.370 nan 0.000 0.487 193 I N 2.247 122.797 120.570 -0.033 0.000 2.465 193 I HA 0.095 4.261 4.170 -0.005 0.000 0.291 193 I C 1.499 177.643 176.117 0.045 0.000 1.014 193 I CA -0.997 60.312 61.300 0.016 0.000 1.093 193 I CB 1.979 39.973 38.000 -0.011 0.000 1.267 193 I HN 0.243 nan 8.210 nan 0.000 0.431 194 H N 6.034 125.094 119.070 -0.016 0.000 2.321 194 H HA -0.140 4.412 4.556 -0.006 0.000 0.300 194 H C 1.837 177.151 175.328 -0.023 0.000 1.087 194 H CA 2.404 58.438 56.048 -0.024 0.000 1.319 194 H CB 0.496 30.241 29.762 -0.027 0.000 1.379 194 H HN 0.784 nan 8.280 nan 0.000 0.501 195 A N 0.422 123.282 122.820 0.066 0.000 1.978 195 A HA -0.240 4.077 4.320 -0.005 0.000 0.220 195 A C 2.359 179.923 177.584 -0.034 0.000 1.170 195 A CA 1.663 53.717 52.037 0.030 0.000 0.636 195 A CB -1.173 17.889 19.000 0.104 0.000 0.810 195 A HN 0.674 nan 8.150 nan 0.000 0.448 196 Y N 0.385 120.603 120.300 -0.137 0.000 2.176 196 Y HA -0.034 4.513 4.550 -0.006 0.000 0.291 196 Y C 1.914 177.653 175.900 -0.268 0.000 1.122 196 Y CA 1.515 59.527 58.100 -0.147 0.000 1.128 196 Y CB -0.439 37.936 38.460 -0.143 0.000 1.005 196 Y HN 0.199 nan 8.280 nan 0.000 0.509 197 L N 0.335 121.263 121.223 -0.492 0.000 1.990 197 L HA -0.321 4.016 4.340 -0.005 0.000 0.213 197 L C 2.689 179.239 176.870 -0.533 0.000 1.072 197 L CA 2.105 56.527 54.840 -0.696 0.000 0.755 197 L CB -0.987 40.798 42.059 -0.457 0.000 0.889 197 L HN 0.292 nan 8.230 nan 0.000 0.432 198 Q N 0.206 119.742 119.800 -0.441 0.000 2.045 198 Q HA -0.323 4.014 4.340 -0.005 0.000 0.206 198 Q C 1.912 177.788 176.000 -0.206 0.000 0.991 198 Q CA 2.475 58.089 55.803 -0.314 0.000 0.851 198 Q CB -0.125 28.407 28.738 -0.343 0.000 0.911 198 Q HN 0.497 nan 8.270 nan 0.000 0.418 199 D N -0.532 119.755 120.400 -0.189 0.000 2.144 199 D HA -0.185 4.451 4.640 -0.005 0.000 0.199 199 D C 1.678 177.953 176.300 -0.042 0.000 0.984 199 D CA 1.219 55.180 54.000 -0.066 0.000 0.834 199 D CB 0.173 40.968 40.800 -0.009 0.000 0.955 199 D HN 0.067 nan 8.370 nan 0.000 0.465 200 K N 0.124 120.367 120.400 -0.262 0.000 1.985 200 K HA -0.096 4.221 4.320 -0.005 0.000 0.210 200 K C 2.426 179.032 176.600 0.009 0.000 1.047 200 K CA 0.771 56.954 56.287 -0.173 0.000 0.932 200 K CB -0.869 31.365 32.500 -0.444 0.000 0.716 200 K HN 0.310 nan 8.250 nan 0.000 0.439 201 L N 0.835 122.047 121.223 -0.019 0.000 2.012 201 L HA -0.195 4.142 4.340 -0.005 0.000 0.210 201 L C 2.629 179.501 176.870 0.002 0.000 1.073 201 L CA 1.477 56.347 54.840 0.050 0.000 0.748 201 L CB -0.721 41.358 42.059 0.032 0.000 0.891 201 L HN 0.137 nan 8.230 nan 0.000 0.431 202 A N -0.583 122.203 122.820 -0.056 0.000 1.940 202 A HA -0.255 4.062 4.320 -0.005 0.000 0.219 202 A C 1.910 179.382 177.584 -0.186 0.000 1.176 202 A CA 1.859 53.819 52.037 -0.128 0.000 0.631 202 A CB -0.895 17.993 19.000 -0.186 0.000 0.814 202 A HN 0.520 nan 8.150 nan 0.000 0.446 203 H N -1.130 117.928 119.070 -0.021 0.000 2.547 203 H HA 0.123 4.675 4.556 -0.005 0.000 0.266 203 H C 0.438 175.769 175.328 0.005 0.000 0.988 203 H CA 0.447 56.491 56.048 -0.008 0.000 1.147 203 H CB 0.099 29.855 29.762 -0.010 0.000 1.365 203 H HN 0.458 nan 8.280 nan 0.000 0.589 204 N N 1.115 119.870 118.700 0.092 0.000 2.741 204 N HA -0.191 4.546 4.740 -0.005 0.000 0.250 204 N C -0.817 174.747 175.510 0.090 0.000 1.115 204 N CA 0.729 53.822 53.050 0.072 0.000 0.724 204 N CB -0.828 37.684 38.487 0.043 0.000 1.090 204 N HN 0.617 nan 8.380 nan 0.000 0.558 205 E N 0.012 120.287 120.200 0.125 0.000 2.342 205 E HA 0.356 4.703 4.350 -0.005 0.000 0.257 205 E C 0.276 176.978 176.600 0.170 0.000 1.150 205 E CA -0.233 56.240 56.400 0.122 0.000 0.926 205 E CB 0.946 30.709 29.700 0.106 0.000 1.074 205 E HN 0.127 nan 8.360 nan 0.000 0.449 206 R N 0.950 121.535 120.500 0.141 0.000 2.637 206 R HA 0.564 4.901 4.340 -0.005 0.000 0.291 206 R C -1.022 175.377 176.300 0.165 0.000 0.963 206 R CA -0.626 55.510 56.100 0.059 0.000 0.901 206 R CB 0.956 31.251 30.300 -0.009 0.000 1.160 206 R HN 0.416 nan 8.270 nan 0.000 0.457 207 F N -1.867 118.100 119.950 0.028 0.000 2.693 207 F HA 0.637 5.161 4.527 -0.005 0.000 0.309 207 F C -1.654 174.185 175.800 0.064 0.000 1.129 207 F CA -1.233 56.803 58.000 0.060 0.000 0.948 207 F CB 1.193 40.218 39.000 0.041 0.000 1.315 207 F HN 0.113 nan 8.300 nan 0.000 0.447 208 V N 2.798 122.876 119.914 0.273 0.000 2.447 208 V HA 0.639 4.756 4.120 -0.005 0.000 0.292 208 V C -1.093 175.175 176.094 0.289 0.000 1.021 208 V CA -0.651 61.779 62.300 0.216 0.000 0.850 208 V CB 1.517 33.433 31.823 0.156 0.000 1.005 208 V HN 0.799 nan 8.190 nan 0.000 0.426 209 V N 5.157 125.226 119.914 0.258 0.000 2.540 209 V HA 0.525 4.642 4.120 -0.005 0.000 0.302 209 V C 0.206 176.260 176.094 -0.067 0.000 1.035 209 V CA -0.815 61.555 62.300 0.117 0.000 0.873 209 V CB 2.111 34.005 31.823 0.119 0.000 0.992 209 V HN 0.850 nan 8.190 nan 0.000 0.428 210 R N 2.210 122.585 120.500 -0.209 0.000 2.539 210 R HA 0.406 4.743 4.340 -0.005 0.000 0.275 210 R C 0.213 176.408 176.300 -0.175 0.000 1.077 210 R CA -0.025 55.871 56.100 -0.340 0.000 1.097 210 R CB 1.031 31.008 30.300 -0.540 0.000 1.018 210 R HN 0.750 nan 8.270 nan 0.000 0.483 211 S N 2.049 117.668 115.700 -0.134 0.000 2.513 211 S HA 0.145 4.612 4.470 -0.005 0.000 0.276 211 S C 0.442 174.974 174.600 -0.113 0.000 1.254 211 S CA -0.454 57.701 58.200 -0.075 0.000 1.053 211 S CB 1.282 64.478 63.200 -0.007 0.000 0.958 211 S HN 0.783 nan 8.310 nan 0.000 0.491 212 K N 2.887 123.188 120.400 -0.164 0.000 2.309 212 K HA 0.168 4.485 4.320 -0.005 0.000 0.210 212 K C -0.114 176.296 176.600 -0.315 0.000 1.114 212 K CA -0.114 55.992 56.287 -0.301 0.000 0.912 212 K CB -0.059 32.145 32.500 -0.493 0.000 1.198 212 K HN 0.737 nan 8.250 nan 0.000 0.471 213 H N 2.919 121.961 119.070 -0.047 0.000 2.580 213 H HA 0.174 4.727 4.556 -0.005 0.000 0.322 213 H C -2.267 173.025 175.328 -0.061 0.000 1.082 213 H CA -2.043 53.973 56.048 -0.054 0.000 1.383 213 H CB 0.906 30.650 29.762 -0.030 0.000 1.450 213 H HN 0.255 nan 8.280 nan 0.000 0.505 214 P HA 0.142 nan 4.420 nan 0.000 0.270 214 P C -0.208 177.113 177.300 0.035 0.000 1.242 214 P CA 0.001 63.008 63.100 -0.155 0.000 0.768 214 P CB 0.817 32.145 31.700 -0.620 0.000 0.820 215 R N 2.417 123.027 120.500 0.185 0.000 2.787 215 R HA 0.551 4.888 4.340 -0.005 0.000 0.271 215 R C 0.103 176.607 176.300 0.340 0.000 0.993 215 R CA -1.017 55.226 56.100 0.238 0.000 0.993 215 R CB 1.989 32.386 30.300 0.161 0.000 1.155 215 R HN 0.342 nan 8.270 nan 0.000 0.486 216 K N 0.687 121.223 120.400 0.226 0.000 2.164 216 K HA 0.134 4.451 4.320 -0.005 0.000 0.258 216 K C -1.082 175.541 176.600 0.038 0.000 0.951 216 K CA -0.601 55.748 56.287 0.103 0.000 0.844 216 K CB 1.424 33.897 32.500 -0.046 0.000 1.099 216 K HN 0.454 nan 8.250 nan 0.000 0.435 217 D N 1.700 122.088 120.400 -0.019 0.000 2.277 217 D HA 0.049 4.686 4.640 -0.005 0.000 0.249 217 D C 0.862 177.098 176.300 -0.107 0.000 1.134 217 D CA -0.222 53.721 54.000 -0.094 0.000 0.863 217 D CB 1.268 41.914 40.800 -0.258 0.000 1.143 217 D HN 0.130 nan 8.370 nan 0.000 0.458 218 V N 3.810 123.677 119.914 -0.079 0.000 2.261 218 V HA -0.158 3.959 4.120 -0.005 0.000 0.246 218 V C 2.209 178.257 176.094 -0.077 0.000 1.047 218 V CA 1.444 63.706 62.300 -0.063 0.000 1.015 218 V CB -0.507 31.294 31.823 -0.037 0.000 0.642 218 V HN 0.710 nan 8.190 nan 0.000 0.446 219 E N 0.292 120.435 120.200 -0.094 0.000 2.268 219 E HA -0.141 4.206 4.350 -0.005 0.000 0.195 219 E C 2.315 178.870 176.600 -0.075 0.000 0.995 219 E CA 1.540 57.895 56.400 -0.074 0.000 0.836 219 E CB 0.053 29.716 29.700 -0.061 0.000 0.763 219 E HN 0.763 nan 8.360 nan 0.000 0.491 220 S N -2.216 113.408 115.700 -0.126 0.000 2.514 220 S HA 0.216 4.683 4.470 -0.005 0.000 0.223 220 S C 1.599 176.166 174.600 -0.055 0.000 1.046 220 S CA 0.642 58.803 58.200 -0.066 0.000 0.914 220 S CB 0.708 63.886 63.200 -0.038 0.000 0.807 220 S HN 0.227 nan 8.310 nan 0.000 0.497 221 G N 1.323 110.072 108.800 -0.086 0.000 2.143 221 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.248 221 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.248 221 G C -0.134 174.689 174.900 -0.127 0.000 0.991 221 G CA 0.569 45.613 45.100 -0.093 0.000 0.689 221 G HN 0.541 nan 8.290 nan 0.000 0.522 222 L N -0.658 120.505 121.223 -0.099 0.000 2.334 222 L HA 0.549 4.886 4.340 -0.005 0.000 0.272 222 L C 0.862 177.704 176.870 -0.047 0.000 1.020 222 L CA -1.590 53.200 54.840 -0.084 0.000 0.812 222 L CB 1.039 43.128 42.059 0.050 0.000 1.264 222 L HN 0.128 nan 8.230 nan 0.000 0.439 223 Y N 1.407 121.760 120.300 0.088 0.000 2.702 223 Y HA -0.099 4.447 4.550 -0.006 0.000 0.336 223 Y C 1.561 177.549 175.900 0.147 0.000 1.235 223 Y CA -0.400 57.767 58.100 0.112 0.000 1.492 223 Y CB 0.500 39.040 38.460 0.135 0.000 1.308 223 Y HN 0.511 nan 8.280 nan 0.000 0.589 224 L N 2.302 123.726 121.223 0.336 0.000 2.064 224 L HA -0.353 3.984 4.340 -0.005 0.000 0.216 224 L C 2.126 179.162 176.870 0.277 0.000 1.077 224 L CA 1.814 56.811 54.840 0.261 0.000 0.766 224 L CB -0.630 41.557 42.059 0.214 0.000 0.890 224 L HN 0.781 nan 8.230 nan 0.000 0.435 225 Y N 0.873 121.275 120.300 0.170 0.000 2.200 225 Y HA -0.252 4.297 4.550 -0.001 0.000 0.290 225 Y C 2.390 178.365 175.900 0.126 0.000 1.137 225 Y CA 1.713 59.889 58.100 0.125 0.000 1.163 225 Y CB -0.248 38.267 38.460 0.092 0.000 0.988 225 Y HN 0.204 nan 8.280 nan 0.000 0.518 226 D N -1.226 119.256 120.400 0.138 0.000 2.144 226 D HA -0.212 4.425 4.640 -0.005 0.000 0.200 226 D C 2.025 178.316 176.300 -0.014 0.000 0.978 226 D CA 1.491 55.496 54.000 0.008 0.000 0.833 226 D CB -0.456 40.441 40.800 0.161 0.000 0.961 226 D HN 0.592 nan 8.370 nan 0.000 0.470 227 H N 0.864 119.927 119.070 -0.011 0.000 2.428 227 H HA 0.019 4.575 4.556 -0.001 0.000 0.296 227 H C 2.222 177.526 175.328 -0.040 0.000 1.062 227 H CA 0.548 56.587 56.048 -0.015 0.000 1.350 227 H CB 0.143 29.915 29.762 0.017 0.000 1.403 227 H HN 0.115 nan 8.280 nan 0.000 0.533 228 L N 0.413 121.566 121.223 -0.117 0.000 2.179 228 L HA -0.070 4.267 4.340 -0.005 0.000 0.208 228 L C 2.631 179.370 176.870 -0.218 0.000 1.096 228 L CA 0.746 55.488 54.840 -0.163 0.000 0.779 228 L CB -0.152 41.893 42.059 -0.024 0.000 0.922 228 L HN 0.103 nan 8.230 nan 0.000 0.443 229 K N 0.030 120.253 120.400 -0.295 0.000 2.439 229 K HA -0.081 4.236 4.320 -0.005 0.000 0.197 229 K C 1.614 178.099 176.600 -0.191 0.000 1.041 229 K CA 0.515 56.630 56.287 -0.287 0.000 0.970 229 K CB 0.168 32.405 32.500 -0.438 0.000 0.773 229 K HN 0.201 nan 8.250 nan 0.000 0.479 230 N N 0.597 119.178 118.700 -0.199 0.000 2.409 230 N HA -0.067 4.670 4.740 -0.005 0.000 0.179 230 N C 0.050 175.470 175.510 -0.151 0.000 1.032 230 N CA 0.613 53.568 53.050 -0.159 0.000 0.898 230 N CB 0.158 38.545 38.487 -0.167 0.000 0.971 230 N HN 0.189 nan 8.380 nan 0.000 0.441 231 Q N 0.961 120.655 119.800 -0.178 0.000 2.443 231 Q HA 0.245 4.582 4.340 -0.005 0.000 0.232 231 Q C -1.996 173.955 176.000 -0.081 0.000 1.026 231 Q CA -1.338 54.384 55.803 -0.135 0.000 0.924 231 Q CB -0.444 28.212 28.738 -0.136 0.000 1.256 231 Q HN 0.203 nan 8.270 nan 0.000 0.519 232 P HA 0.051 nan 4.420 nan 0.000 0.275 232 P C -0.602 176.682 177.300 -0.026 0.000 1.228 232 P CA -0.253 62.826 63.100 -0.035 0.000 0.786 232 P CB 0.507 32.193 31.700 -0.024 0.000 0.927 233 E N 1.801 121.989 120.200 -0.020 0.000 2.311 233 E HA -0.057 4.290 4.350 -0.005 0.000 0.247 233 E C 0.765 177.367 176.600 0.004 0.000 1.215 233 E CA -0.339 56.055 56.400 -0.009 0.000 0.957 233 E CB -0.297 29.397 29.700 -0.010 0.000 1.020 233 E HN 0.219 nan 8.360 nan 0.000 0.461 234 L N 4.335 125.565 121.223 0.012 0.000 2.450 234 L HA 0.013 4.350 4.340 -0.005 0.000 0.225 234 L C 0.865 177.755 176.870 0.033 0.000 1.145 234 L CA 2.072 56.926 54.840 0.023 0.000 0.801 234 L CB -0.702 41.376 42.059 0.032 0.000 0.924 234 L HN 0.790 nan 8.230 nan 0.000 0.447 235 G N -3.201 105.621 108.800 0.037 0.000 2.353 235 G HA2 0.371 4.328 3.960 -0.005 0.000 0.424 235 G HA3 0.371 4.328 3.960 -0.005 0.000 0.424 235 G C -0.500 174.441 174.900 0.069 0.000 1.320 235 G CA -0.617 44.512 45.100 0.048 0.000 0.995 235 G HN 0.473 nan 8.290 nan 0.000 0.580 236 G N -1.490 107.357 108.800 0.078 0.000 2.714 236 G HA2 1.068 5.025 3.960 -0.005 0.000 0.292 236 G HA3 1.068 5.025 3.960 -0.005 0.000 0.292 236 G C -1.171 173.839 174.900 0.183 0.000 1.308 236 G CA -0.008 45.138 45.100 0.076 0.000 0.964 236 G HN 2.105 nan 8.290 nan 0.000 0.484 237 Y N -1.896 118.393 120.300 -0.019 0.000 2.480 237 Y HA 0.696 5.243 4.550 -0.006 0.000 0.329 237 Y C -0.842 175.034 175.900 -0.039 0.000 1.127 237 Y CA -1.378 56.709 58.100 -0.023 0.000 1.037 237 Y CB 1.189 39.639 38.460 -0.017 0.000 1.320 237 Y HN 0.700 nan 8.280 nan 0.000 0.446 238 Q N 4.738 124.550 119.800 0.021 0.000 2.235 238 Q HA 0.794 5.131 4.340 -0.005 0.000 0.256 238 Q C -0.944 175.070 176.000 0.023 0.000 0.951 238 Q CA -0.983 54.788 55.803 -0.053 0.000 0.890 238 Q CB 1.822 30.542 28.738 -0.031 0.000 1.279 238 Q HN 0.851 nan 8.270 nan 0.000 0.444 239 I N -1.196 119.353 120.570 -0.035 0.000 2.892 239 I HA 0.623 4.790 4.170 -0.005 0.000 0.306 239 I C -0.900 175.197 176.117 -0.033 0.000 1.078 239 I CA -0.987 60.309 61.300 -0.008 0.000 1.032 239 I CB 2.568 40.557 38.000 -0.017 0.000 1.229 239 I HN 0.392 nan 8.210 nan 0.000 0.435 240 S N 4.399 120.083 115.700 -0.027 0.000 2.442 240 S HA 0.614 5.080 4.470 -0.005 0.000 0.297 240 S C -0.335 174.238 174.600 -0.044 0.000 1.131 240 S CA -0.516 57.663 58.200 -0.034 0.000 1.092 240 S CB 0.738 63.923 63.200 -0.026 0.000 0.998 240 S HN 0.409 nan 8.310 nan 0.000 0.478 241 I N 6.488 127.031 120.570 -0.044 0.000 2.321 241 I HA 0.342 4.508 4.170 -0.005 0.000 0.291 241 I C -2.123 173.970 176.117 -0.040 0.000 0.998 241 I CA -2.335 58.938 61.300 -0.045 0.000 1.227 241 I CB 1.742 39.718 38.000 -0.041 0.000 1.368 241 I HN 0.352 nan 8.210 nan 0.000 0.466 242 P HA 0.094 nan 4.420 nan 0.000 0.288 242 P C -0.812 176.467 177.300 -0.035 0.000 1.267 242 P CA -0.580 62.493 63.100 -0.044 0.000 0.815 242 P CB 0.949 32.612 31.700 -0.061 0.000 0.989 243 Q N 2.995 122.778 119.800 -0.029 0.000 2.354 243 Q HA -0.019 4.318 4.340 -0.005 0.000 0.310 243 Q C -0.205 175.781 176.000 -0.024 0.000 1.104 243 Q CA 1.213 57.002 55.803 -0.023 0.000 0.968 243 Q CB 0.303 29.029 28.738 -0.020 0.000 1.251 243 Q HN 0.675 nan 8.270 nan 0.000 0.411 244 K N 0.616 121.005 120.400 -0.018 0.000 2.597 244 K HA 0.601 4.918 4.320 -0.005 0.000 0.282 244 K C -0.685 175.909 176.600 -0.010 0.000 0.975 244 K CA -0.600 55.678 56.287 -0.016 0.000 0.867 244 K CB 0.402 32.892 32.500 -0.017 0.000 1.465 244 K HN 0.560 nan 8.250 nan 0.000 0.417 245 G N 0.602 109.397 108.800 -0.008 0.000 2.537 245 G HA2 0.520 4.477 3.960 -0.005 0.000 0.273 245 G HA3 0.520 4.477 3.960 -0.005 0.000 0.273 245 G C -1.067 173.833 174.900 0.000 0.000 1.189 245 G CA -0.703 44.394 45.100 -0.005 0.000 0.881 245 G HN 0.304 nan 8.290 nan 0.000 0.535 246 V N 0.217 120.133 119.914 0.002 0.000 2.686 246 V HA 0.465 4.582 4.120 -0.005 0.000 0.306 246 V C -0.663 175.435 176.094 0.007 0.000 1.065 246 V CA -0.570 61.735 62.300 0.007 0.000 0.894 246 V CB 2.125 33.954 31.823 0.009 0.000 1.004 246 V HN 0.563 nan 8.190 nan 0.000 0.424 247 V N 4.311 124.231 119.914 0.010 0.000 2.447 247 V HA 0.384 4.501 4.120 -0.005 0.000 0.292 247 V C -0.387 175.714 176.094 0.012 0.000 1.021 247 V CA -0.773 61.532 62.300 0.008 0.000 0.850 247 V CB 1.796 33.623 31.823 0.006 0.000 1.005 247 V HN 1.049 nan 8.190 nan 0.000 0.426 248 D N 4.644 125.051 120.400 0.012 0.000 2.414 248 D HA 0.162 4.799 4.640 -0.005 0.000 0.251 248 D C 1.021 177.330 176.300 0.014 0.000 1.252 248 D CA -0.436 53.572 54.000 0.014 0.000 0.999 248 D CB 0.931 41.739 40.800 0.013 0.000 1.093 248 D HN 0.296 nan 8.370 nan 0.000 0.515 249 K N -0.413 119.997 120.400 0.017 0.000 2.152 249 K HA -0.160 4.157 4.320 -0.005 0.000 0.206 249 K C 1.821 178.429 176.600 0.012 0.000 1.048 249 K CA 0.845 57.142 56.287 0.017 0.000 0.933 249 K CB -0.130 32.383 32.500 0.021 0.000 0.721 249 K HN 0.395 nan 8.250 nan 0.000 0.447 250 R N 0.044 120.550 120.500 0.011 0.000 2.335 250 R HA -0.018 4.319 4.340 -0.005 0.000 0.223 250 R C 0.378 176.681 176.300 0.005 0.000 0.940 250 R CA 0.498 56.603 56.100 0.008 0.000 1.086 250 R CB 0.117 30.422 30.300 0.008 0.000 1.073 250 R HN 0.412 nan 8.270 nan 0.000 0.504 251 G N 1.009 109.812 108.800 0.005 0.000 2.141 251 G HA2 -0.240 3.716 3.960 -0.005 0.000 0.242 251 G HA3 -0.240 3.716 3.960 -0.005 0.000 0.242 251 G C -0.168 174.733 174.900 0.003 0.000 0.982 251 G CA -0.181 44.921 45.100 0.003 0.000 0.662 251 G HN 0.184 nan 8.290 nan 0.000 0.527 252 K N 0.822 121.224 120.400 0.004 0.000 2.227 252 K HA 0.437 4.754 4.320 -0.005 0.000 0.280 252 K C 0.440 177.042 176.600 0.004 0.000 1.041 252 K CA -0.544 55.745 56.287 0.004 0.000 0.905 252 K CB 0.435 32.938 32.500 0.004 0.000 1.068 252 K HN 0.408 nan 8.250 nan 0.000 0.470 253 R N 3.463 123.964 120.500 0.002 0.000 2.294 253 R HA 0.273 4.610 4.340 -0.005 0.000 0.319 253 R C -0.192 176.108 176.300 0.001 0.000 0.984 253 R CA -0.562 55.539 56.100 0.001 0.000 0.861 253 R CB 1.251 31.550 30.300 -0.000 0.000 1.104 253 R HN 0.593 nan 8.270 nan 0.000 0.451 254 K N 0.763 121.164 120.400 0.002 0.000 2.480 254 K HA 0.345 4.662 4.320 -0.005 0.000 0.258 254 K C -1.115 175.485 176.600 -0.001 0.000 0.990 254 K CA -1.057 55.230 56.287 0.001 0.000 0.857 254 K CB 1.510 34.012 32.500 0.002 0.000 1.384 254 K HN 0.239 nan 8.250 nan 0.000 0.446 255 N N 0.913 119.611 118.700 -0.002 0.000 2.498 255 N HA 0.153 4.890 4.740 -0.005 0.000 0.287 255 N C -1.186 174.322 175.510 -0.004 0.000 1.097 255 N CA -0.587 52.460 53.050 -0.004 0.000 0.973 255 N CB 1.200 39.684 38.487 -0.006 0.000 1.153 255 N HN 0.584 nan 8.380 nan 0.000 0.472 256 R N 4.321 124.818 120.500 -0.005 0.000 2.332 256 R HA 0.365 4.701 4.340 -0.005 0.000 0.306 256 R C -2.428 173.866 176.300 -0.010 0.000 1.117 256 R CA -1.783 54.313 56.100 -0.005 0.000 1.108 256 R CB 0.623 30.921 30.300 -0.003 0.000 1.126 256 R HN 0.527 nan 8.270 nan 0.000 0.548 257 P HA -0.008 nan 4.420 nan 0.000 0.265 257 P C -0.364 176.926 177.300 -0.016 0.000 1.193 257 P CA 0.031 63.123 63.100 -0.013 0.000 0.765 257 P CB 0.826 32.519 31.700 -0.012 0.000 0.823 258 A N 4.720 127.528 122.820 -0.019 0.000 2.555 258 A HA 0.269 4.585 4.320 -0.005 0.000 0.233 258 A C 0.827 178.398 177.584 -0.022 0.000 1.060 258 A CA 0.421 52.444 52.037 -0.022 0.000 0.759 258 A CB -0.283 18.703 19.000 -0.022 0.000 0.995 258 A HN 0.769 nan 8.150 nan 0.000 0.506 259 R N -0.002 120.482 120.500 -0.027 0.000 2.733 259 R HA 0.608 4.944 4.340 -0.005 0.000 0.272 259 R C -1.767 174.512 176.300 -0.035 0.000 1.029 259 R CA -1.159 54.924 56.100 -0.029 0.000 0.888 259 R CB 0.986 31.269 30.300 -0.028 0.000 1.251 259 R HN 0.503 nan 8.270 nan 0.000 0.464 260 K N 0.778 121.156 120.400 -0.036 0.000 2.213 260 K HA 0.735 5.051 4.320 -0.005 0.000 0.270 260 K C -0.900 175.665 176.600 -0.057 0.000 1.002 260 K CA -0.558 55.703 56.287 -0.043 0.000 0.868 260 K CB 2.091 34.570 32.500 -0.035 0.000 1.093 260 K HN 0.730 nan 8.250 nan 0.000 0.454 261 A N 1.784 124.558 122.820 -0.078 0.000 2.355 261 A HA 0.725 5.042 4.320 -0.005 0.000 0.324 261 A C -0.788 176.712 177.584 -0.140 0.000 1.117 261 A CA -0.858 51.116 52.037 -0.105 0.000 0.785 261 A CB 1.087 20.013 19.000 -0.123 0.000 1.254 261 A HN 0.794 nan 8.150 nan 0.000 0.453 262 S N 1.151 116.758 115.700 -0.154 0.000 2.502 262 S HA 0.778 5.244 4.470 -0.005 0.000 0.304 262 S C -0.760 173.679 174.600 -0.268 0.000 1.097 262 S CA -0.607 57.474 58.200 -0.199 0.000 1.045 262 S CB 0.892 64.016 63.200 -0.127 0.000 1.019 262 S HN 0.583 nan 8.310 nan 0.000 0.481 263 L N 2.558 123.517 121.223 -0.441 0.000 2.346 263 L HA 0.653 4.990 4.340 -0.005 0.000 0.274 263 L C 0.135 176.798 176.870 -0.344 0.000 1.007 263 L CA -0.786 53.759 54.840 -0.493 0.000 0.818 263 L CB 2.281 43.797 42.059 -0.905 0.000 1.284 263 L HN 0.902 nan 8.230 nan 0.000 0.424 264 S N 2.464 118.058 115.700 -0.177 0.000 2.489 264 S HA 0.681 5.148 4.470 -0.005 0.000 0.291 264 S C -0.789 173.804 174.600 -0.012 0.000 1.151 264 S CA -0.721 57.435 58.200 -0.073 0.000 1.082 264 S CB 1.914 65.086 63.200 -0.047 0.000 1.019 264 S HN 0.388 nan 8.310 nan 0.000 0.492 265 L N 2.755 124.012 121.223 0.056 0.000 2.325 265 L HA 0.676 5.013 4.340 -0.005 0.000 0.278 265 L C -0.231 176.677 176.870 0.064 0.000 1.023 265 L CA -0.351 54.558 54.840 0.115 0.000 0.811 265 L CB 1.461 43.643 42.059 0.206 0.000 1.249 265 L HN 0.905 nan 8.230 nan 0.000 0.431 266 R N 1.869 122.404 120.500 0.058 0.000 2.698 266 R HA 0.773 5.110 4.340 -0.005 0.000 0.275 266 R C -1.059 175.262 176.300 0.034 0.000 1.001 266 R CA -0.668 55.447 56.100 0.024 0.000 0.896 266 R CB 2.156 32.447 30.300 -0.016 0.000 1.218 266 R HN 0.773 nan 8.270 nan 0.000 0.462 267 S N -0.221 115.491 115.700 0.020 0.000 2.811 267 S HA 0.967 5.434 4.470 -0.005 0.000 0.311 267 S C -0.350 174.262 174.600 0.021 0.000 1.152 267 S CA -0.621 57.597 58.200 0.031 0.000 0.864 267 S CB 2.538 65.760 63.200 0.037 0.000 1.226 267 S HN 0.843 nan 8.310 nan 0.000 0.541 268 G N -0.290 108.540 108.800 0.049 0.000 2.387 268 G HA2 0.503 4.460 3.960 -0.005 0.000 0.294 268 G HA3 0.503 4.460 3.960 -0.005 0.000 0.294 268 G C -1.833 173.125 174.900 0.096 0.000 1.509 268 G CA -1.081 44.065 45.100 0.076 0.000 0.806 268 G HN 0.774 nan 8.290 nan 0.000 0.546 269 R N -0.384 120.175 120.500 0.098 0.000 2.357 269 R HA 0.710 5.047 4.340 -0.005 0.000 0.296 269 R C 0.024 176.379 176.300 0.092 0.000 1.052 269 R CA -0.365 55.780 56.100 0.076 0.000 0.988 269 R CB 0.612 30.943 30.300 0.051 0.000 1.025 269 R HN 0.700 nan 8.270 nan 0.000 0.469 270 I N -0.991 119.615 120.570 0.061 0.000 2.865 270 I HA 0.560 4.727 4.170 -0.005 0.000 0.302 270 I C -1.033 175.093 176.117 0.015 0.000 1.140 270 I CA -0.569 60.745 61.300 0.024 0.000 1.021 270 I CB 2.811 40.845 38.000 0.057 0.000 1.233 270 I HN 0.381 nan 8.210 nan 0.000 0.427 271 T N 5.224 119.769 114.554 -0.016 0.000 2.861 271 T HA 0.632 4.979 4.350 -0.005 0.000 0.287 271 T C -0.406 174.301 174.700 0.011 0.000 1.003 271 T CA -0.507 61.595 62.100 0.003 0.000 0.977 271 T CB 1.390 70.253 68.868 -0.009 0.000 0.996 271 T HN 0.450 nan 8.240 nan 0.000 0.448 272 L N 3.239 124.488 121.223 0.044 0.000 2.325 272 L HA 0.437 4.773 4.340 -0.005 0.000 0.279 272 L C 1.651 178.553 176.870 0.053 0.000 1.054 272 L CA -1.057 53.822 54.840 0.066 0.000 0.804 272 L CB 1.096 43.229 42.059 0.123 0.000 1.200 272 L HN 0.553 nan 8.230 nan 0.000 0.436 273 K N 1.778 122.196 120.400 0.030 0.000 1.987 273 K HA -0.173 4.144 4.320 -0.005 0.000 0.216 273 K C 0.277 176.879 176.600 0.003 0.000 1.051 273 K CA 1.527 57.816 56.287 0.004 0.000 0.942 273 K CB -0.208 32.285 32.500 -0.012 0.000 0.722 273 K HN 0.614 nan 8.250 nan 0.000 0.444 274 Q N -0.241 119.541 119.800 -0.029 0.000 2.274 274 Q HA 0.244 4.581 4.340 -0.005 0.000 0.280 274 Q C 0.850 176.938 176.000 0.147 0.000 1.047 274 Q CA 0.765 56.489 55.803 -0.130 0.000 0.907 274 Q CB 0.297 28.654 28.738 -0.635 0.000 1.171 274 Q HN 0.529 nan 8.270 nan 0.000 0.381 275 G N 2.917 111.783 108.800 0.110 0.000 2.189 275 G HA2 -0.447 3.510 3.960 -0.005 0.000 0.267 275 G HA3 -0.447 3.510 3.960 -0.005 0.000 0.267 275 G C 0.392 175.349 174.900 0.095 0.000 0.975 275 G CA 0.177 45.378 45.100 0.167 0.000 0.644 275 G HN 0.842 nan 8.290 nan 0.000 0.537 276 N N -0.579 118.163 118.700 0.071 0.000 2.702 276 N HA -0.201 4.536 4.740 -0.005 0.000 0.255 276 N C 0.447 175.980 175.510 0.038 0.000 0.983 276 N CA 1.465 54.539 53.050 0.041 0.000 0.768 276 N CB -1.109 37.390 38.487 0.020 0.000 0.918 276 N HN 1.328 nan 8.380 nan 0.000 0.540 277 I N -2.780 117.822 120.570 0.054 0.000 2.365 277 I HA 0.421 4.588 4.170 -0.005 0.000 0.291 277 I C 0.735 176.872 176.117 0.034 0.000 1.004 277 I CA -0.717 60.600 61.300 0.030 0.000 1.311 277 I CB 1.798 39.794 38.000 -0.005 0.000 1.401 277 I HN 0.071 nan 8.210 nan 0.000 0.491 278 T N 7.339 121.911 114.554 0.030 0.000 2.859 278 T HA 0.807 5.154 4.350 -0.005 0.000 0.281 278 T C -0.577 174.155 174.700 0.053 0.000 1.005 278 T CA -0.545 61.577 62.100 0.035 0.000 1.025 278 T CB 1.223 70.104 68.868 0.022 0.000 0.977 278 T HN 0.814 nan 8.240 nan 0.000 0.458 279 L N 1.418 122.679 121.223 0.063 0.000 2.801 279 L HA 0.750 5.087 4.340 -0.005 0.000 0.264 279 L C -1.204 175.699 176.870 0.056 0.000 1.086 279 L CA -1.504 53.381 54.840 0.075 0.000 0.920 279 L CB 1.457 43.617 42.059 0.168 0.000 1.529 279 L HN 0.449 nan 8.230 nan 0.000 0.399 280 N N -0.028 118.691 118.700 0.032 0.000 2.483 280 N HA 0.880 5.617 4.740 -0.005 0.000 0.285 280 N C -1.060 174.480 175.510 0.051 0.000 1.210 280 N CA -0.188 52.882 53.050 0.033 0.000 0.931 280 N CB 1.985 40.473 38.487 0.001 0.000 1.220 280 N HN 0.943 nan 8.380 nan 0.000 0.542 281 A N 0.003 122.861 122.820 0.062 0.000 2.540 281 A HA 0.568 4.885 4.320 -0.005 0.000 0.297 281 A C -1.245 176.383 177.584 0.073 0.000 1.056 281 A CA -0.569 51.513 52.037 0.076 0.000 0.700 281 A CB 0.867 19.929 19.000 0.104 0.000 1.280 281 A HN 0.281 nan 8.150 nan 0.000 0.398 282 V N 1.725 121.685 119.914 0.076 0.000 2.667 282 V HA 0.751 4.868 4.120 -0.005 0.000 0.308 282 V C -0.739 175.426 176.094 0.118 0.000 1.048 282 V CA -0.627 61.727 62.300 0.090 0.000 0.928 282 V CB 1.632 33.514 31.823 0.098 0.000 1.004 282 V HN 0.965 nan 8.190 nan 0.000 0.444 283 L N 3.619 124.917 121.223 0.124 0.000 2.404 283 L HA 0.904 5.241 4.340 -0.005 0.000 0.272 283 L C -0.173 176.789 176.870 0.152 0.000 0.980 283 L CA -0.278 54.654 54.840 0.152 0.000 0.836 283 L CB 1.303 43.435 42.059 0.123 0.000 1.238 283 L HN 0.787 nan 8.230 nan 0.000 0.408 284 A N 4.298 127.236 122.820 0.195 0.000 2.304 284 A HA 0.805 5.122 4.320 -0.005 0.000 0.323 284 A C -0.656 176.974 177.584 0.076 0.000 1.195 284 A CA -0.408 51.711 52.037 0.137 0.000 0.826 284 A CB 0.876 19.986 19.000 0.184 0.000 1.184 284 A HN 0.779 nan 8.150 nan 0.000 0.496 285 E N 1.350 121.552 120.200 0.003 0.000 2.343 285 E HA 0.326 4.673 4.350 -0.005 0.000 0.278 285 E C -1.039 175.518 176.600 -0.071 0.000 0.910 285 E CA -0.501 55.903 56.400 0.007 0.000 0.757 285 E CB 1.564 31.317 29.700 0.088 0.000 1.218 285 E HN 0.745 nan 8.360 nan 0.000 0.435 286 E N 3.353 123.509 120.200 -0.073 0.000 2.316 286 E HA 0.194 4.541 4.350 -0.005 0.000 0.275 286 E C -0.746 175.814 176.600 -0.066 0.000 1.029 286 E CA -0.449 55.889 56.400 -0.103 0.000 0.871 286 E CB 0.569 30.215 29.700 -0.090 0.000 1.022 286 E HN 0.326 nan 8.360 nan 0.000 0.418 287 I N 4.887 125.408 120.570 -0.081 0.000 2.352 287 I HA 0.058 4.225 4.170 -0.005 0.000 0.290 287 I C -0.244 175.845 176.117 -0.048 0.000 1.036 287 I CA -0.445 60.822 61.300 -0.055 0.000 1.336 287 I CB 0.505 38.470 38.000 -0.059 0.000 1.407 287 I HN 0.558 nan 8.210 nan 0.000 0.497 288 N N 4.930 123.612 118.700 -0.031 0.000 2.586 288 N HA -0.131 4.606 4.740 -0.005 0.000 0.282 288 N C -2.377 173.116 175.510 -0.029 0.000 1.171 288 N CA 0.043 53.078 53.050 -0.025 0.000 0.733 288 N CB -1.214 37.259 38.487 -0.023 0.000 0.910 288 N HN 0.435 nan 8.380 nan 0.000 0.548 289 P HA 0.316 nan 4.420 nan 0.000 0.277 289 P C -2.025 175.262 177.300 -0.021 0.000 1.240 289 P CA -0.912 62.172 63.100 -0.028 0.000 0.798 289 P CB 0.234 31.920 31.700 -0.025 0.000 0.979 290 P HA 0.003 nan 4.420 nan 0.000 0.268 290 P C 1.047 178.340 177.300 -0.012 0.000 1.208 290 P CA -0.165 62.925 63.100 -0.016 0.000 0.777 290 P CB 0.767 32.456 31.700 -0.017 0.000 0.875 291 K N 2.226 122.620 120.400 -0.010 0.000 2.067 291 K HA -0.217 4.100 4.320 -0.005 0.000 0.226 291 K C 1.107 177.703 176.600 -0.006 0.000 1.046 291 K CA 2.418 58.701 56.287 -0.007 0.000 0.967 291 K CB -1.017 31.479 32.500 -0.006 0.000 0.749 291 K HN 0.744 nan 8.250 nan 0.000 0.456 292 G N 0.365 109.161 108.800 -0.006 0.000 4.519 292 G HA2 0.313 4.270 3.960 -0.005 0.000 0.336 292 G HA3 0.313 4.270 3.960 -0.005 0.000 0.336 292 G C -1.263 173.634 174.900 -0.005 0.000 1.491 292 G CA -0.525 44.573 45.100 -0.004 0.000 1.008 292 G HN 0.128 nan 8.290 nan 0.000 0.515 293 E N 0.435 120.632 120.200 -0.006 0.000 2.390 293 E HA 0.296 4.643 4.350 -0.005 0.000 0.277 293 E C -0.608 175.990 176.600 -0.005 0.000 0.939 293 E CA -0.568 55.828 56.400 -0.006 0.000 0.769 293 E CB 1.793 31.487 29.700 -0.010 0.000 1.251 293 E HN 0.183 nan 8.360 nan 0.000 0.450 294 T N 3.514 118.068 114.554 -0.001 0.000 2.793 294 T HA 0.161 4.508 4.350 -0.005 0.000 0.289 294 T C -2.051 172.647 174.700 -0.003 0.000 0.956 294 T CA -0.884 61.218 62.100 0.002 0.000 1.177 294 T CB -0.192 68.683 68.868 0.013 0.000 0.897 294 T HN 0.112 nan 8.240 nan 0.000 0.533 295 P HA 0.152 nan 4.420 nan 0.000 0.268 295 P C 0.029 177.322 177.300 -0.010 0.000 1.204 295 P CA -0.385 62.708 63.100 -0.012 0.000 0.768 295 P CB 0.658 32.356 31.700 -0.004 0.000 0.842 296 L N 2.928 124.128 121.223 -0.038 0.000 2.461 296 L HA 0.230 4.567 4.340 -0.005 0.000 0.272 296 L C 1.087 177.946 176.870 -0.017 0.000 1.197 296 L CA 0.460 55.270 54.840 -0.051 0.000 0.836 296 L CB 0.040 42.006 42.059 -0.155 0.000 1.105 296 L HN 0.476 nan 8.230 nan 0.000 0.477 297 K N 2.628 123.064 120.400 0.059 0.000 2.670 297 K HA 0.238 4.554 4.320 -0.005 0.000 0.274 297 K C -2.149 174.677 176.600 0.375 0.000 1.068 297 K CA -0.572 55.802 56.287 0.145 0.000 0.967 297 K CB 1.070 33.627 32.500 0.094 0.000 1.297 297 K HN 0.323 nan 8.250 nan 0.000 0.477 298 W N 4.866 126.201 121.300 0.059 0.000 2.529 298 W HA 0.484 5.142 4.660 -0.005 0.000 0.321 298 W C -0.699 175.841 176.519 0.034 0.000 1.047 298 W CA -0.913 56.453 57.345 0.035 0.000 1.216 298 W CB 1.146 30.637 29.460 0.051 0.000 1.357 298 W HN 0.373 nan 8.180 nan 0.000 0.489 299 L N 5.132 126.464 121.223 0.182 0.000 2.319 299 L HA 0.540 4.877 4.340 -0.005 0.000 0.281 299 L C -0.945 175.926 176.870 0.001 0.000 1.005 299 L CA -0.514 54.398 54.840 0.121 0.000 0.828 299 L CB 0.686 42.822 42.059 0.129 0.000 1.227 299 L HN 0.208 nan 8.230 nan 0.000 0.415 300 L N 5.848 127.079 121.223 0.014 0.000 2.322 300 L HA 0.518 4.855 4.340 -0.005 0.000 0.281 300 L C -0.683 176.200 176.870 0.022 0.000 1.014 300 L CA -0.730 54.072 54.840 -0.062 0.000 0.815 300 L CB 1.755 43.754 42.059 -0.100 0.000 1.247 300 L HN 0.487 nan 8.230 nan 0.000 0.421 301 L N 2.587 123.841 121.223 0.052 0.000 2.275 301 L HA 0.598 4.935 4.340 -0.005 0.000 0.288 301 L C 0.080 177.071 176.870 0.200 0.000 1.046 301 L CA -0.062 54.869 54.840 0.152 0.000 0.805 301 L CB 1.555 43.730 42.059 0.193 0.000 1.193 301 L HN 0.591 nan 8.230 nan 0.000 0.426 302 T N -0.299 114.277 114.554 0.036 0.000 2.933 302 T HA 0.218 4.565 4.350 -0.005 0.000 0.305 302 T C 0.775 175.125 174.700 -0.583 0.000 1.092 302 T CA -0.137 61.756 62.100 -0.345 0.000 1.008 302 T CB 1.734 70.485 68.868 -0.194 0.000 1.102 302 T HN 0.706 nan 8.240 nan 0.000 0.469 303 S N 2.420 117.408 115.700 -1.186 0.000 2.436 303 S HA 0.086 4.553 4.470 -0.005 0.000 0.228 303 S C 0.620 175.022 174.600 -0.331 0.000 1.014 303 S CA 0.201 57.991 58.200 -0.683 0.000 0.950 303 S CB -0.189 62.597 63.200 -0.690 0.000 0.784 303 S HN 0.710 nan 8.310 nan 0.000 0.504 304 E N 3.339 123.359 120.200 -0.300 0.000 2.404 304 E HA 0.264 4.611 4.350 -0.005 0.000 0.261 304 E C -2.428 174.116 176.600 -0.094 0.000 1.074 304 E CA -2.371 53.939 56.400 -0.149 0.000 0.917 304 E CB -0.331 29.306 29.700 -0.105 0.000 0.965 304 E HN 0.288 nan 8.360 nan 0.000 0.433 305 P HA -0.077 nan 4.420 nan 0.000 0.265 305 P C 0.571 177.859 177.300 -0.019 0.000 1.187 305 P CA 0.446 63.528 63.100 -0.031 0.000 0.766 305 P CB 0.471 32.158 31.700 -0.021 0.000 0.820 306 V N -0.599 119.312 119.914 -0.007 0.000 3.400 306 V HA 0.077 4.193 4.120 -0.005 0.000 0.281 306 V C 1.819 177.921 176.094 0.013 0.000 1.617 306 V CA 0.675 62.979 62.300 0.007 0.000 1.044 306 V CB -0.607 31.223 31.823 0.012 0.000 0.858 306 V HN 0.493 nan 8.190 nan 0.000 0.425 307 E N 3.064 123.270 120.200 0.010 0.000 2.268 307 E HA -0.049 4.298 4.350 -0.005 0.000 0.195 307 E C 1.294 177.901 176.600 0.012 0.000 0.995 307 E CA 1.238 57.645 56.400 0.012 0.000 0.836 307 E CB -0.115 29.591 29.700 0.009 0.000 0.763 307 E HN 0.854 nan 8.360 nan 0.000 0.491 308 S N -0.473 115.234 115.700 0.012 0.000 2.654 308 S HA 0.211 4.678 4.470 -0.005 0.000 0.283 308 S C 0.930 175.541 174.600 0.018 0.000 1.180 308 S CA -0.781 57.427 58.200 0.013 0.000 1.021 308 S CB 1.716 64.922 63.200 0.010 0.000 1.018 308 S HN 0.218 nan 8.310 nan 0.000 0.532 309 L N 2.294 123.530 121.223 0.021 0.000 2.013 309 L HA -0.000 4.337 4.340 -0.005 0.000 0.212 309 L C 2.579 179.462 176.870 0.021 0.000 1.073 309 L CA 2.731 57.589 54.840 0.029 0.000 0.753 309 L CB -1.761 40.318 42.059 0.033 0.000 0.890 309 L HN 0.960 nan 8.230 nan 0.000 0.432 310 A N -1.221 121.609 122.820 0.016 0.000 1.902 310 A HA -0.275 4.042 4.320 -0.005 0.000 0.217 310 A C 2.215 179.805 177.584 0.010 0.000 1.181 310 A CA 1.845 53.889 52.037 0.011 0.000 0.623 310 A CB -0.646 18.361 19.000 0.012 0.000 0.818 310 A HN 0.675 nan 8.150 nan 0.000 0.443 311 Q N -0.753 119.054 119.800 0.012 0.000 2.135 311 Q HA -0.114 4.223 4.340 -0.005 0.000 0.204 311 Q C 2.346 178.356 176.000 0.016 0.000 0.981 311 Q CA 1.541 57.351 55.803 0.011 0.000 0.856 311 Q CB -0.376 28.366 28.738 0.007 0.000 0.902 311 Q HN 0.707 nan 8.270 nan 0.000 0.425 312 A N 0.298 123.131 122.820 0.021 0.000 1.969 312 A HA -0.110 4.207 4.320 -0.005 0.000 0.218 312 A C 1.969 179.564 177.584 0.019 0.000 1.169 312 A CA 0.836 52.892 52.037 0.032 0.000 0.635 312 A CB -0.444 18.583 19.000 0.046 0.000 0.810 312 A HN 0.292 nan 8.150 nan 0.000 0.445 313 L N -1.268 119.946 121.223 -0.014 0.000 2.056 313 L HA -0.150 4.187 4.340 -0.005 0.000 0.207 313 L C 2.719 179.581 176.870 -0.013 0.000 1.078 313 L CA 1.398 56.191 54.840 -0.079 0.000 0.749 313 L CB -0.440 41.550 42.059 -0.115 0.000 0.901 313 L HN 0.346 nan 8.230 nan 0.000 0.433 314 R N 0.344 120.858 120.500 0.023 0.000 2.140 314 R HA -0.193 4.144 4.340 -0.005 0.000 0.250 314 R C 1.919 178.273 176.300 0.091 0.000 1.150 314 R CA 1.948 58.084 56.100 0.061 0.000 0.966 314 R CB -1.122 29.203 30.300 0.041 0.000 0.869 314 R HN 0.185 nan 8.270 nan 0.000 0.445 315 V N 0.382 120.341 119.914 0.076 0.000 2.283 315 V HA -0.207 3.909 4.120 -0.005 0.000 0.243 315 V C 2.338 178.538 176.094 0.178 0.000 1.039 315 V CA 1.645 64.007 62.300 0.103 0.000 1.016 315 V CB -0.471 31.392 31.823 0.067 0.000 0.650 315 V HN 0.200 nan 8.190 nan 0.000 0.449 316 I N 0.631 121.300 120.570 0.165 0.000 2.151 316 I HA -0.273 3.894 4.170 -0.005 0.000 0.243 316 I C 2.228 178.541 176.117 0.327 0.000 1.080 316 I CA 2.073 63.537 61.300 0.273 0.000 1.339 316 I CB -1.322 36.718 38.000 0.066 0.000 1.039 316 I HN 0.367 nan 8.210 nan 0.000 0.409 317 D N 0.376 120.897 120.400 0.201 0.000 2.183 317 D HA -0.051 4.586 4.640 -0.005 0.000 0.203 317 D C 2.360 178.896 176.300 0.394 0.000 0.969 317 D CA 0.520 54.669 54.000 0.249 0.000 0.842 317 D CB -0.023 40.889 40.800 0.188 0.000 0.957 317 D HN 0.264 nan 8.370 nan 0.000 0.484 318 I N -0.105 120.661 120.570 0.327 0.000 2.194 318 I HA -0.328 3.839 4.170 -0.005 0.000 0.246 318 I C 1.922 178.240 176.117 0.335 0.000 1.093 318 I CA 1.069 62.554 61.300 0.309 0.000 1.355 318 I CB -0.164 37.963 38.000 0.211 0.000 1.046 318 I HN 0.121 nan 8.210 nan 0.000 0.413 319 Y N 1.234 121.654 120.300 0.199 0.000 2.242 319 Y HA -0.217 4.330 4.550 -0.005 0.000 0.291 319 Y C 2.647 178.654 175.900 0.179 0.000 1.137 319 Y CA 1.638 59.813 58.100 0.126 0.000 1.181 319 Y CB -0.518 37.948 38.460 0.011 0.000 0.989 319 Y HN 0.039 nan 8.280 nan 0.000 0.527 320 T N -0.293 114.452 114.554 0.318 0.000 3.025 320 T HA -0.151 4.196 4.350 -0.005 0.000 0.270 320 T C 1.094 175.831 174.700 0.061 0.000 1.126 320 T CA 1.238 63.474 62.100 0.226 0.000 1.105 320 T CB -0.347 68.625 68.868 0.174 0.000 0.884 320 T HN 0.523 nan 8.240 nan 0.000 0.522 321 H N -0.110 119.009 119.070 0.082 0.000 2.539 321 H HA 0.245 4.798 4.556 -0.006 0.000 0.269 321 H C 2.227 177.442 175.328 -0.189 0.000 0.980 321 H CA -0.021 56.026 56.048 -0.002 0.000 1.152 321 H CB 0.250 29.931 29.762 -0.135 0.000 1.407 321 H HN 0.252 nan 8.280 nan 0.000 0.564 322 R N 1.500 121.944 120.500 -0.094 0.000 2.105 322 R HA -0.127 4.210 4.340 -0.005 0.000 0.239 322 R C 2.132 178.355 176.300 -0.128 0.000 1.135 322 R CA 1.447 57.429 56.100 -0.196 0.000 0.967 322 R CB -0.235 29.798 30.300 -0.445 0.000 0.861 322 R HN 0.481 nan 8.270 nan 0.000 0.442 323 W N 1.086 122.325 121.300 -0.102 0.000 2.336 323 W HA -0.226 4.430 4.660 -0.006 0.000 0.277 323 W C 0.866 177.383 176.519 -0.004 0.000 1.211 323 W CA 0.521 57.845 57.345 -0.035 0.000 1.187 323 W CB -0.806 28.640 29.460 -0.023 0.000 1.132 323 W HN 0.034 nan 8.180 nan 0.000 0.562 324 R N 0.808 120.743 120.500 -0.942 0.000 2.152 324 R HA -0.146 4.191 4.340 -0.005 0.000 0.232 324 R C 2.092 178.136 176.300 -0.427 0.000 1.117 324 R CA 1.427 56.944 56.100 -0.973 0.000 0.981 324 R CB -1.009 28.782 30.300 -0.848 0.000 0.870 324 R HN 0.329 nan 8.270 nan 0.000 0.451 325 I N 1.427 121.819 120.570 -0.297 0.000 2.315 325 I HA -0.210 3.957 4.170 -0.005 0.000 0.248 325 I C 2.297 178.222 176.117 -0.320 0.000 1.117 325 I CA 1.434 62.574 61.300 -0.267 0.000 1.404 325 I CB -0.276 37.602 38.000 -0.203 0.000 1.071 325 I HN 0.184 nan 8.210 nan 0.000 0.419 326 E N 0.296 120.441 120.200 -0.091 0.000 2.110 326 E HA -0.310 4.037 4.350 -0.005 0.000 0.193 326 E C 2.165 178.832 176.600 0.111 0.000 0.988 326 E CA 1.514 57.964 56.400 0.084 0.000 0.804 326 E CB -0.326 29.499 29.700 0.207 0.000 0.745 326 E HN 0.662 nan 8.360 nan 0.000 0.458 327 E N -0.411 119.851 120.200 0.103 0.000 2.077 327 E HA -0.213 4.133 4.350 -0.005 0.000 0.193 327 E C 1.868 178.516 176.600 0.081 0.000 0.989 327 E CA 1.114 57.640 56.400 0.209 0.000 0.800 327 E CB -0.294 29.504 29.700 0.163 0.000 0.746 327 E HN 0.388 nan 8.360 nan 0.000 0.452 328 F N 1.494 121.322 119.950 -0.203 0.000 2.069 328 F HA -0.243 4.280 4.527 -0.005 0.000 0.298 328 F C 1.958 177.728 175.800 -0.050 0.000 1.113 328 F CA 2.490 60.342 58.000 -0.248 0.000 1.214 328 F CB -0.783 38.005 39.000 -0.354 0.000 0.978 328 F HN 0.135 nan 8.300 nan 0.000 0.474 329 H N -0.423 118.511 119.070 -0.227 0.000 2.353 329 H HA -0.225 4.328 4.556 -0.005 0.000 0.298 329 H C 2.304 177.556 175.328 -0.127 0.000 1.103 329 H CA 1.713 57.629 56.048 -0.220 0.000 1.293 329 H CB -0.270 29.484 29.762 -0.013 0.000 1.372 329 H HN 0.281 nan 8.280 nan 0.000 0.501 330 K N 0.759 121.238 120.400 0.131 0.000 2.057 330 K HA -0.127 4.190 4.320 -0.005 0.000 0.207 330 K C 2.457 179.164 176.600 0.178 0.000 1.049 330 K CA 1.014 57.424 56.287 0.206 0.000 0.931 330 K CB -0.108 32.608 32.500 0.359 0.000 0.714 330 K HN 0.258 nan 8.250 nan 0.000 0.440 331 A N 0.473 123.249 122.820 -0.073 0.000 1.933 331 A HA -0.194 4.123 4.320 -0.005 0.000 0.218 331 A C 1.898 179.350 177.584 -0.220 0.000 1.175 331 A CA 1.404 53.154 52.037 -0.479 0.000 0.628 331 A CB -0.952 17.564 19.000 -0.806 0.000 0.814 331 A HN 0.670 nan 8.150 nan 0.000 0.444 332 W N 0.854 121.847 121.300 -0.511 0.000 2.378 332 W HA -0.070 4.586 4.660 -0.006 0.000 0.313 332 W C 1.913 178.293 176.519 -0.232 0.000 1.197 332 W CA 1.687 58.771 57.345 -0.436 0.000 1.304 332 W CB -0.508 28.538 29.460 -0.690 0.000 1.148 332 W HN 0.283 nan 8.180 nan 0.000 0.494 333 K N -0.890 119.465 120.400 -0.075 0.000 2.027 333 K HA -0.058 4.259 4.320 -0.005 0.000 0.215 333 K C 2.033 178.607 176.600 -0.042 0.000 1.027 333 K CA 2.142 58.333 56.287 -0.159 0.000 0.967 333 K CB -1.138 31.246 32.500 -0.192 0.000 0.867 333 K HN -0.232 nan 8.250 nan 0.000 0.449 334 T N 0.508 115.075 114.554 0.023 0.000 2.649 334 T HA -0.237 4.110 4.350 -0.005 0.000 0.268 334 T C 1.801 176.584 174.700 0.139 0.000 1.036 334 T CA 1.841 63.992 62.100 0.084 0.000 1.157 334 T CB -0.896 68.060 68.868 0.146 0.000 0.861 334 T HN 0.557 nan 8.240 nan 0.000 0.445 335 G N 0.604 109.531 108.800 0.212 0.000 2.496 335 G HA2 0.132 4.089 3.960 -0.005 0.000 0.214 335 G HA3 0.132 4.089 3.960 -0.005 0.000 0.214 335 G C 1.771 176.681 174.900 0.017 0.000 1.234 335 G CA 0.726 45.944 45.100 0.196 0.000 0.807 335 G HN 0.594 nan 8.290 nan 0.000 0.543 336 A N -0.722 122.083 122.820 -0.026 0.000 2.067 336 A HA 0.444 4.760 4.320 -0.005 0.000 0.217 336 A C 1.914 179.522 177.584 0.040 0.000 1.156 336 A CA 1.558 53.588 52.037 -0.013 0.000 0.683 336 A CB -0.384 18.638 19.000 0.037 0.000 0.808 336 A HN 1.828 nan 8.150 nan 0.000 0.455 337 G N -1.994 106.824 108.800 0.030 0.000 2.141 337 G HA2 0.060 4.017 3.960 -0.005 0.000 0.195 337 G HA3 0.060 4.017 3.960 -0.005 0.000 0.195 337 G C 1.015 175.917 174.900 0.003 0.000 1.012 337 G CA 0.851 45.962 45.100 0.017 0.000 0.696 337 G HN 1.288 nan 8.290 nan 0.000 0.508 338 A N 0.012 122.792 122.820 -0.066 0.000 1.927 338 A HA -0.042 4.275 4.320 -0.005 0.000 0.220 338 A C 1.921 179.466 177.584 -0.065 0.000 1.185 338 A CA 2.254 54.206 52.037 -0.142 0.000 0.639 338 A CB -0.259 18.356 19.000 -0.641 0.000 0.820 338 A HN 0.620 nan 8.150 nan 0.000 0.451 339 E N -1.403 118.681 120.200 -0.193 0.000 2.478 339 E HA 0.045 4.392 4.350 -0.005 0.000 0.194 339 E C 1.847 178.393 176.600 -0.089 0.000 1.045 339 E CA -0.131 56.092 56.400 -0.296 0.000 0.868 339 E CB 0.094 29.525 29.700 -0.447 0.000 0.885 339 E HN 0.489 nan 8.360 nan 0.000 0.505 340 R N 0.568 121.058 120.500 -0.018 0.000 2.297 340 R HA 0.046 4.383 4.340 -0.005 0.000 0.197 340 R C 0.357 176.688 176.300 0.052 0.000 0.943 340 R CA 0.192 56.298 56.100 0.009 0.000 1.038 340 R CB 0.305 30.610 30.300 0.008 0.000 0.957 340 R HN 0.089 nan 8.270 nan 0.000 0.484 341 Q N 0.572 120.449 119.800 0.128 0.000 2.417 341 Q HA 0.093 4.429 4.340 -0.005 0.000 0.241 341 Q C 0.551 176.584 176.000 0.055 0.000 1.008 341 Q CA 0.477 56.355 55.803 0.124 0.000 0.901 341 Q CB 0.769 29.608 28.738 0.168 0.000 1.259 341 Q HN -0.037 nan 8.270 nan 0.000 0.489 342 R N 0.917 121.410 120.500 -0.011 0.000 2.582 342 R HA 0.219 4.555 4.340 -0.005 0.000 0.453 342 R C -0.429 175.898 176.300 0.044 0.000 0.969 342 R CA -0.461 55.509 56.100 -0.215 0.000 1.113 342 R CB 0.051 30.186 30.300 -0.274 0.000 1.507 342 R HN 0.548 nan 8.270 nan 0.000 0.587 343 M N 0.786 120.467 119.600 0.134 0.000 2.235 343 M HA -0.078 4.399 4.480 -0.005 0.000 0.316 343 M C 1.174 177.586 176.300 0.186 0.000 1.035 343 M CA 1.189 56.581 55.300 0.154 0.000 1.084 343 M CB 0.320 32.999 32.600 0.131 0.000 1.529 343 M HN 0.036 nan 8.290 nan 0.000 0.440 344 E N 0.526 120.793 120.200 0.110 0.000 2.501 344 E HA 0.122 4.469 4.350 -0.005 0.000 0.201 344 E C -0.550 176.056 176.600 0.010 0.000 1.016 344 E CA 0.094 56.536 56.400 0.071 0.000 0.920 344 E CB 0.480 30.212 29.700 0.055 0.000 1.023 344 E HN 0.464 nan 8.360 nan 0.000 0.474 345 E N -0.359 119.852 120.200 0.020 0.000 2.343 345 E HA 0.150 4.497 4.350 -0.005 0.000 0.278 345 E C -2.268 174.355 176.600 0.039 0.000 0.910 345 E CA -1.955 54.450 56.400 0.007 0.000 0.757 345 E CB 1.958 31.668 29.700 0.016 0.000 1.218 345 E HN -0.205 nan 8.360 nan 0.000 0.435 346 P HA -0.172 nan 4.420 nan 0.000 0.214 346 P C 0.647 178.093 177.300 0.243 0.000 1.163 346 P CA 1.337 64.546 63.100 0.181 0.000 0.889 346 P CB 0.392 32.170 31.700 0.130 0.000 0.790 347 D N -1.404 119.065 120.400 0.116 0.000 2.144 347 D HA -0.122 4.515 4.640 -0.005 0.000 0.199 347 D C 1.641 177.944 176.300 0.005 0.000 0.984 347 D CA 0.961 54.984 54.000 0.039 0.000 0.834 347 D CB -0.880 39.918 40.800 -0.003 0.000 0.955 347 D HN 0.126 nan 8.370 nan 0.000 0.465 348 N N 0.617 119.335 118.700 0.030 0.000 2.084 348 N HA -0.126 4.611 4.740 -0.005 0.000 0.190 348 N C 1.792 177.338 175.510 0.061 0.000 1.030 348 N CA 0.342 53.413 53.050 0.035 0.000 0.849 348 N CB -0.584 37.939 38.487 0.060 0.000 1.012 348 N HN 0.139 nan 8.380 nan 0.000 0.423 349 L N 1.707 122.990 121.223 0.100 0.000 2.083 349 L HA -0.058 4.279 4.340 -0.005 0.000 0.209 349 L C 2.110 179.030 176.870 0.083 0.000 1.083 349 L CA 1.662 56.577 54.840 0.125 0.000 0.752 349 L CB -0.770 41.386 42.059 0.161 0.000 0.899 349 L HN 0.243 nan 8.230 nan 0.000 0.433 350 E N -0.757 119.433 120.200 -0.017 0.000 2.047 350 E HA -0.233 4.114 4.350 -0.005 0.000 0.191 350 E C 2.326 178.780 176.600 -0.243 0.000 0.987 350 E CA 1.004 57.197 56.400 -0.344 0.000 0.799 350 E CB 0.004 29.373 29.700 -0.551 0.000 0.752 350 E HN 0.462 nan 8.360 nan 0.000 0.449 351 R N -0.185 120.233 120.500 -0.137 0.000 2.081 351 R HA -0.159 4.178 4.340 -0.005 0.000 0.235 351 R C 2.433 178.759 176.300 0.045 0.000 1.131 351 R CA 1.673 57.721 56.100 -0.087 0.000 0.960 351 R CB -0.322 29.909 30.300 -0.116 0.000 0.856 351 R HN 0.222 nan 8.270 nan 0.000 0.436 352 M N 0.491 120.140 119.600 0.082 0.000 2.065 352 M HA -0.138 4.338 4.480 -0.005 0.000 0.259 352 M C 1.946 178.373 176.300 0.211 0.000 1.069 352 M CA 1.720 57.104 55.300 0.140 0.000 1.110 352 M CB -0.184 32.491 32.600 0.124 0.000 1.328 352 M HN -0.066 nan 8.290 nan 0.000 0.405 353 V N -0.503 119.560 119.914 0.249 0.000 2.548 353 V HA -0.189 3.927 4.120 -0.005 0.000 0.249 353 V C 2.329 178.808 176.094 0.643 0.000 1.055 353 V CA 1.690 64.250 62.300 0.434 0.000 1.065 353 V CB -0.882 31.191 31.823 0.417 0.000 0.681 353 V HN 0.543 nan 8.190 nan 0.000 0.462 354 S N 0.349 116.300 115.700 0.419 0.000 2.359 354 S HA -0.228 4.239 4.470 -0.005 0.000 0.223 354 S C 1.873 176.725 174.600 0.420 0.000 1.039 354 S CA 2.092 60.506 58.200 0.357 0.000 1.042 354 S CB -0.387 62.842 63.200 0.047 0.000 0.915 354 S HN 0.530 nan 8.310 nan 0.000 0.439 355 I N 1.288 122.062 120.570 0.340 0.000 2.208 355 I HA -0.199 3.968 4.170 -0.005 0.000 0.245 355 I C 2.059 178.446 176.117 0.450 0.000 1.097 355 I CA 1.120 62.641 61.300 0.368 0.000 1.363 355 I CB -0.416 37.681 38.000 0.163 0.000 1.051 355 I HN 0.231 nan 8.210 nan 0.000 0.413 356 L N 0.543 122.004 121.223 0.396 0.000 2.191 356 L HA -0.200 4.137 4.340 -0.005 0.000 0.212 356 L C 2.782 179.832 176.870 0.299 0.000 1.103 356 L CA 1.510 56.578 54.840 0.380 0.000 0.769 356 L CB -0.617 41.681 42.059 0.398 0.000 0.908 356 L HN 0.423 nan 8.230 nan 0.000 0.438 357 S N -0.325 115.448 115.700 0.123 0.000 2.402 357 S HA -0.157 4.310 4.470 -0.005 0.000 0.229 357 S C 1.760 176.183 174.600 -0.296 0.000 1.021 357 S CA 0.929 58.763 58.200 -0.610 0.000 0.974 357 S CB -0.677 61.934 63.200 -0.981 0.000 0.800 357 S HN 0.351 nan 8.310 nan 0.000 0.484 358 F N 1.430 121.460 119.950 0.134 0.000 2.367 358 F HA 0.154 4.678 4.527 -0.005 0.000 0.298 358 F C 2.499 178.506 175.800 0.344 0.000 1.094 358 F CA 0.355 58.490 58.000 0.225 0.000 1.409 358 F CB -0.469 38.658 39.000 0.212 0.000 1.064 358 F HN 0.064 nan 8.300 nan 0.000 0.528 359 V N 0.160 120.324 119.914 0.416 0.000 2.295 359 V HA -0.320 3.797 4.120 -0.005 0.000 0.246 359 V C 2.627 178.658 176.094 -0.104 0.000 1.049 359 V CA 1.790 64.146 62.300 0.094 0.000 1.024 359 V CB -1.266 30.610 31.823 0.089 0.000 0.648 359 V HN 0.357 nan 8.190 nan 0.000 0.447 360 A N -0.069 122.715 122.820 -0.061 0.000 1.873 360 A HA -0.218 4.098 4.320 -0.005 0.000 0.218 360 A C 2.398 179.883 177.584 -0.166 0.000 1.193 360 A CA 2.391 54.326 52.037 -0.169 0.000 0.629 360 A CB -0.905 17.994 19.000 -0.169 0.000 0.826 360 A HN 0.338 nan 8.150 nan 0.000 0.447 361 V N 0.200 120.100 119.914 -0.023 0.000 2.392 361 V HA -0.278 3.839 4.120 -0.005 0.000 0.249 361 V C 2.678 178.709 176.094 -0.104 0.000 1.059 361 V CA 2.403 64.674 62.300 -0.049 0.000 1.051 361 V CB -0.855 30.945 31.823 -0.037 0.000 0.658 361 V HN 0.733 nan 8.190 nan 0.000 0.455 362 R N -0.271 120.144 120.500 -0.142 0.000 2.148 362 R HA -0.042 4.295 4.340 -0.005 0.000 0.223 362 R C 2.209 178.322 176.300 -0.313 0.000 1.088 362 R CA 1.066 56.986 56.100 -0.301 0.000 0.985 362 R CB -0.214 29.620 30.300 -0.777 0.000 0.880 362 R HN 0.449 nan 8.270 nan 0.000 0.451 363 L N 0.740 121.752 121.223 -0.351 0.000 2.017 363 L HA -0.208 4.129 4.340 -0.005 0.000 0.208 363 L C 2.372 179.102 176.870 -0.232 0.000 1.073 363 L CA 1.320 55.963 54.840 -0.329 0.000 0.745 363 L CB -0.408 41.335 42.059 -0.526 0.000 0.894 363 L HN 0.265 nan 8.230 nan 0.000 0.432 364 L N -0.927 120.105 121.223 -0.318 0.000 2.017 364 L HA -0.265 4.071 4.340 -0.005 0.000 0.208 364 L C 2.622 179.446 176.870 -0.077 0.000 1.073 364 L CA 1.466 56.178 54.840 -0.214 0.000 0.745 364 L CB -0.602 41.322 42.059 -0.226 0.000 0.894 364 L HN 0.331 nan 8.230 nan 0.000 0.432 365 Q N -0.248 119.492 119.800 -0.101 0.000 2.167 365 Q HA -0.145 4.191 4.340 -0.005 0.000 0.202 365 Q C 2.395 178.354 176.000 -0.069 0.000 0.970 365 Q CA 1.025 56.785 55.803 -0.071 0.000 0.855 365 Q CB -0.055 28.645 28.738 -0.063 0.000 0.911 365 Q HN 0.498 nan 8.270 nan 0.000 0.438 366 L N 0.202 121.375 121.223 -0.083 0.000 2.017 366 L HA -0.225 4.112 4.340 -0.005 0.000 0.208 366 L C 2.675 179.598 176.870 0.088 0.000 1.073 366 L CA 1.338 56.124 54.840 -0.090 0.000 0.745 366 L CB -0.315 41.682 42.059 -0.103 0.000 0.894 366 L HN 0.195 nan 8.230 nan 0.000 0.432 367 R N 0.289 120.901 120.500 0.187 0.000 2.075 367 R HA -0.189 4.148 4.340 -0.005 0.000 0.232 367 R C 2.068 178.529 176.300 0.269 0.000 1.126 367 R CA 1.620 57.913 56.100 0.322 0.000 0.963 367 R CB -0.107 30.385 30.300 0.320 0.000 0.858 367 R HN 0.383 nan 8.270 nan 0.000 0.435 368 E N 0.190 120.468 120.200 0.129 0.000 2.153 368 E HA -0.164 4.183 4.350 -0.005 0.000 0.194 368 E C 1.835 178.438 176.600 0.004 0.000 0.988 368 E CA 1.510 57.951 56.400 0.067 0.000 0.811 368 E CB -0.010 29.703 29.700 0.021 0.000 0.746 368 E HN 0.455 nan 8.360 nan 0.000 0.466 369 S N -0.197 115.448 115.700 -0.091 0.000 2.500 369 S HA -0.110 4.357 4.470 -0.005 0.000 0.239 369 S C 1.330 175.714 174.600 -0.360 0.000 0.989 369 S CA 0.745 58.781 58.200 -0.272 0.000 0.951 369 S CB -0.234 62.729 63.200 -0.395 0.000 0.759 369 S HN 0.219 nan 8.310 nan 0.000 0.523 370 F N 1.687 121.685 119.950 0.080 0.000 2.706 370 F HA 0.205 4.729 4.527 -0.005 0.000 0.308 370 F C 2.543 178.379 175.800 0.060 0.000 1.095 370 F CA 0.249 58.319 58.000 0.116 0.000 1.244 370 F CB -0.112 39.006 39.000 0.196 0.000 1.063 370 F HN 0.298 nan 8.300 nan 0.000 0.582 371 T N -1.932 112.696 114.554 0.123 0.000 2.737 371 T HA 0.035 4.382 4.350 -0.005 0.000 0.265 371 T C -0.600 174.022 174.700 -0.131 0.000 1.038 371 T CA 0.305 62.347 62.100 -0.096 0.000 1.144 371 T CB -1.815 67.025 68.868 -0.046 0.000 0.866 371 T HN -0.047 nan 8.240 nan 0.000 0.434 391 Q N 1.560 121.404 119.800 0.072 0.000 3.243 391 Q HA 0.710 5.047 4.340 -0.005 0.000 0.257 391 Q C 0.103 176.166 176.000 0.105 0.000 1.069 391 Q CA -0.088 55.760 55.803 0.076 0.000 0.650 391 Q CB -0.249 28.524 28.738 0.059 0.000 3.605 391 Q HN 0.267 nan 8.270 nan 0.000 0.336 392 S N -0.623 115.138 115.700 0.102 0.000 2.586 392 S HA 0.591 5.058 4.470 -0.005 0.000 0.274 392 S C 0.856 175.559 174.600 0.170 0.000 1.281 392 S CA -0.242 58.037 58.200 0.131 0.000 1.035 392 S CB 1.124 64.385 63.200 0.102 0.000 0.962 392 S HN 0.816 nan 8.310 nan 0.000 0.512 393 A N 2.526 125.490 122.820 0.239 0.000 1.986 393 A HA -0.112 4.205 4.320 -0.005 0.000 0.220 393 A C 2.014 179.735 177.584 0.228 0.000 1.171 393 A CA 1.603 53.812 52.037 0.287 0.000 0.640 393 A CB -0.790 18.472 19.000 0.436 0.000 0.811 393 A HN 0.922 nan 8.150 nan 0.000 0.451 394 E N 0.058 120.366 120.200 0.180 0.000 2.333 394 E HA -0.150 4.196 4.350 -0.005 0.000 0.198 394 E C 1.988 178.657 176.600 0.116 0.000 1.007 394 E CA 1.522 58.007 56.400 0.142 0.000 0.845 394 E CB -1.033 28.733 29.700 0.110 0.000 0.766 394 E HN 0.878 nan 8.360 nan 0.000 0.507 395 T N -2.160 112.459 114.554 0.108 0.000 2.995 395 T HA 0.002 4.349 4.350 -0.005 0.000 0.269 395 T C 1.913 176.647 174.700 0.057 0.000 1.091 395 T CA 0.808 62.951 62.100 0.071 0.000 1.128 395 T CB 0.016 68.921 68.868 0.061 0.000 0.891 395 T HN 0.018 nan 8.240 nan 0.000 0.492 396 V N -0.005 119.973 119.914 0.106 0.000 2.996 396 V HA 0.420 4.537 4.120 -0.005 0.000 0.235 396 V C 1.025 177.240 176.094 0.203 0.000 1.205 396 V CA 0.027 62.383 62.300 0.093 0.000 1.225 396 V CB 0.091 31.992 31.823 0.130 0.000 0.995 396 V HN 0.367 nan 8.190 nan 0.000 0.484 397 L N 1.002 122.392 121.223 0.279 0.000 2.399 397 L HA 0.458 4.795 4.340 -0.005 0.000 0.265 397 L C 0.757 177.755 176.870 0.213 0.000 1.089 397 L CA -0.254 54.774 54.840 0.314 0.000 0.802 397 L CB 1.139 43.381 42.059 0.305 0.000 1.180 397 L HN 0.314 nan 8.230 nan 0.000 0.454 398 T N -2.462 112.210 114.554 0.197 0.000 2.849 398 T HA 0.224 4.571 4.350 -0.005 0.000 0.284 398 T C -1.973 172.800 174.700 0.122 0.000 1.004 398 T CA -1.593 60.592 62.100 0.142 0.000 1.021 398 T CB 1.302 70.247 68.868 0.129 0.000 1.013 398 T HN 0.332 nan 8.240 nan 0.000 0.527 399 P HA -0.064 nan 4.420 nan 0.000 0.215 399 P C 0.747 178.111 177.300 0.106 0.000 1.153 399 P CA 1.206 64.369 63.100 0.105 0.000 0.853 399 P CB -0.098 31.660 31.700 0.095 0.000 0.788 400 D N -0.439 120.028 120.400 0.112 0.000 2.117 400 D HA -0.164 4.473 4.640 -0.005 0.000 0.197 400 D C 1.870 178.139 176.300 -0.050 0.000 0.987 400 D CA 1.080 55.155 54.000 0.124 0.000 0.829 400 D CB -0.663 40.255 40.800 0.196 0.000 0.961 400 D HN 0.301 nan 8.370 nan 0.000 0.460 401 E N -0.192 119.998 120.200 -0.016 0.000 2.110 401 E HA -0.178 4.169 4.350 -0.005 0.000 0.193 401 E C 1.951 178.538 176.600 -0.020 0.000 0.988 401 E CA 0.652 57.016 56.400 -0.059 0.000 0.804 401 E CB -0.166 29.555 29.700 0.036 0.000 0.745 401 E HN 0.293 nan 8.360 nan 0.000 0.458 402 C N 0.756 120.098 119.300 0.071 0.000 2.453 402 C HA -0.146 4.311 4.460 -0.005 0.000 0.277 402 C C 2.795 177.870 174.990 0.142 0.000 1.262 402 C CA 1.211 60.322 59.018 0.155 0.000 1.718 402 C CB -0.674 27.170 27.740 0.174 0.000 2.031 402 C HN 0.473 nan 8.230 nan 0.000 0.480 403 Q N -0.424 119.413 119.800 0.063 0.000 2.050 403 Q HA -0.207 4.130 4.340 -0.005 0.000 0.202 403 Q C 2.143 178.133 176.000 -0.017 0.000 0.980 403 Q CA 1.813 57.653 55.803 0.061 0.000 0.840 403 Q CB -0.295 28.511 28.738 0.113 0.000 0.898 403 Q HN 0.647 nan 8.270 nan 0.000 0.424 404 L N 0.530 121.570 121.223 -0.305 0.000 2.017 404 L HA -0.160 4.177 4.340 -0.005 0.000 0.208 404 L C 2.136 178.953 176.870 -0.088 0.000 1.073 404 L CA 1.507 56.085 54.840 -0.438 0.000 0.745 404 L CB -0.827 40.697 42.059 -0.892 0.000 0.894 404 L HN 0.375 nan 8.230 nan 0.000 0.432 405 L N 0.028 121.224 121.223 -0.044 0.000 2.042 405 L HA -0.077 4.260 4.340 -0.005 0.000 0.210 405 L C 2.363 179.393 176.870 0.268 0.000 1.076 405 L CA 2.135 57.002 54.840 0.045 0.000 0.749 405 L CB -1.393 40.656 42.059 -0.017 0.000 0.893 405 L HN 0.359 nan 8.230 nan 0.000 0.432 406 G N -2.073 106.957 108.800 0.384 0.000 2.422 406 G HA2 -0.368 3.589 3.960 -0.005 0.000 0.218 406 G HA3 -0.368 3.589 3.960 -0.005 0.000 0.218 406 G C 1.555 176.592 174.900 0.228 0.000 1.146 406 G CA 0.989 46.305 45.100 0.359 0.000 0.769 406 G HN 0.522 nan 8.290 nan 0.000 0.547 407 Y N 0.969 121.317 120.300 0.080 0.000 2.184 407 Y HA 0.060 4.607 4.550 -0.005 0.000 0.290 407 Y C 2.608 178.537 175.900 0.049 0.000 1.129 407 Y CA 1.232 59.364 58.100 0.055 0.000 1.144 407 Y CB -0.171 38.318 38.460 0.048 0.000 0.995 407 Y HN 0.089 nan 8.280 nan 0.000 0.513 408 L N -0.166 121.196 121.223 0.233 0.000 2.131 408 L HA -0.197 4.140 4.340 -0.005 0.000 0.210 408 L C 1.693 178.592 176.870 0.048 0.000 1.092 408 L CA 1.776 56.690 54.840 0.122 0.000 0.759 408 L CB -0.420 41.679 42.059 0.067 0.000 0.903 408 L HN 0.191 nan 8.230 nan 0.000 0.435 409 D N -0.135 120.327 120.400 0.104 0.000 2.348 409 D HA -0.047 4.590 4.640 -0.005 0.000 0.211 409 D C 0.867 177.225 176.300 0.096 0.000 0.998 409 D CA 0.032 54.113 54.000 0.135 0.000 0.873 409 D CB 0.195 41.185 40.800 0.317 0.000 0.925 409 D HN -0.061 nan 8.370 nan 0.000 0.524 410 K N -0.520 119.888 120.400 0.014 0.000 2.476 410 K HA 0.029 4.346 4.320 -0.005 0.000 0.273 410 K C 1.101 177.680 176.600 -0.034 0.000 1.056 410 K CA 1.089 57.346 56.287 -0.050 0.000 1.150 410 K CB -0.110 32.285 32.500 -0.175 0.000 0.838 410 K HN 0.289 nan 8.250 nan 0.000 0.486 411 G N 3.749 112.541 108.800 -0.015 0.000 2.336 411 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.233 411 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.233 411 G C 0.752 175.662 174.900 0.017 0.000 1.053 411 G CA 0.426 45.521 45.100 -0.010 0.000 0.625 411 G HN 0.655 nan 8.290 nan 0.000 0.511 412 K N 0.513 120.937 120.400 0.041 0.000 2.418 412 K HA 0.177 4.493 4.320 -0.005 0.000 0.195 412 K C 1.375 178.030 176.600 0.092 0.000 1.035 412 K CA 0.049 56.367 56.287 0.052 0.000 1.003 412 K CB 0.224 32.750 32.500 0.044 0.000 0.793 412 K HN 0.412 nan 8.250 nan 0.000 0.494 413 R N 2.348 122.928 120.500 0.133 0.000 2.489 413 R HA -0.007 4.330 4.340 -0.005 0.000 0.287 413 R C -0.310 176.061 176.300 0.118 0.000 1.053 413 R CA 0.169 56.383 56.100 0.189 0.000 1.036 413 R CB 0.483 30.886 30.300 0.173 0.000 0.966 413 R HN -0.139 nan 8.270 nan 0.000 0.432 414 K N 3.504 123.984 120.400 0.133 0.000 2.098 414 K HA 0.078 4.395 4.320 -0.005 0.000 0.244 414 K C 0.810 177.459 176.600 0.082 0.000 1.014 414 K CA -0.508 55.833 56.287 0.090 0.000 0.917 414 K CB 0.710 33.264 32.500 0.090 0.000 1.072 414 K HN 0.596 nan 8.250 nan 0.000 0.477 415 R N 1.208 121.743 120.500 0.058 0.000 2.115 415 R HA -0.073 4.264 4.340 -0.005 0.000 0.226 415 R C 1.529 177.863 176.300 0.057 0.000 1.100 415 R CA 1.286 57.414 56.100 0.046 0.000 0.980 415 R CB 0.131 30.450 30.300 0.031 0.000 0.875 415 R HN 0.466 nan 8.270 nan 0.000 0.445 416 K N 0.595 121.036 120.400 0.069 0.000 2.127 416 K HA -0.167 4.150 4.320 -0.005 0.000 0.208 416 K C 0.066 176.725 176.600 0.097 0.000 1.047 416 K CA 1.319 57.653 56.287 0.078 0.000 0.927 416 K CB -0.150 32.402 32.500 0.087 0.000 0.716 416 K HN 0.350 nan 8.250 nan 0.000 0.450 417 E N 2.274 122.549 120.200 0.125 0.000 2.129 417 E HA 0.053 4.400 4.350 -0.005 0.000 0.283 417 E C -0.370 176.305 176.600 0.125 0.000 1.080 417 E CA -0.350 56.155 56.400 0.175 0.000 0.867 417 E CB 0.768 30.638 29.700 0.284 0.000 1.056 417 E HN -0.042 nan 8.360 nan 0.000 0.404 418 K N 2.416 122.883 120.400 0.112 0.000 2.484 418 K HA 0.016 4.332 4.320 -0.005 0.000 0.280 418 K C -0.382 176.233 176.600 0.025 0.000 1.013 418 K CA -0.055 56.269 56.287 0.062 0.000 1.029 418 K CB 0.578 33.121 32.500 0.071 0.000 0.902 418 K HN 0.616 nan 8.250 nan 0.000 0.481 419 A N 2.995 125.772 122.820 -0.071 0.000 2.515 419 A HA 0.336 4.653 4.320 -0.005 0.000 0.263 419 A C 1.165 178.616 177.584 -0.221 0.000 1.096 419 A CA 0.787 52.687 52.037 -0.228 0.000 0.769 419 A CB -0.592 18.288 19.000 -0.200 0.000 1.040 419 A HN 1.022 nan 8.150 nan 0.000 0.505 420 G N 2.057 110.609 108.800 -0.414 0.000 2.143 420 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.249 420 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.249 420 G C 0.565 175.572 174.900 0.178 0.000 0.981 420 G CA 0.856 45.846 45.100 -0.184 0.000 0.665 420 G HN 2.126 nan 8.290 nan 0.000 0.528 421 S N -0.726 115.124 115.700 0.251 0.000 2.632 421 S HA 0.589 5.056 4.470 -0.005 0.000 0.267 421 S C 1.504 176.327 174.600 0.372 0.000 1.276 421 S CA 0.066 58.429 58.200 0.271 0.000 0.998 421 S CB 1.689 65.013 63.200 0.207 0.000 0.953 421 S HN 1.257 nan 8.310 nan 0.000 0.547 422 L N 1.090 122.470 121.223 0.262 0.000 2.131 422 L HA -0.047 4.290 4.340 -0.005 0.000 0.210 422 L C 2.631 179.644 176.870 0.238 0.000 1.092 422 L CA 2.291 57.280 54.840 0.249 0.000 0.759 422 L CB -1.250 40.924 42.059 0.192 0.000 0.903 422 L HN 1.009 nan 8.230 nan 0.000 0.435 423 Q N -1.126 118.804 119.800 0.217 0.000 2.084 423 Q HA -0.287 4.050 4.340 -0.005 0.000 0.202 423 Q C 2.084 178.237 176.000 0.255 0.000 0.978 423 Q CA 2.364 58.289 55.803 0.203 0.000 0.844 423 Q CB -0.943 27.891 28.738 0.159 0.000 0.898 423 Q HN 0.641 nan 8.270 nan 0.000 0.426 424 W N 0.672 122.048 121.300 0.125 0.000 2.358 424 W HA -0.039 4.618 4.660 -0.005 0.000 0.303 424 W C 2.013 178.591 176.519 0.098 0.000 1.208 424 W CA 2.148 59.555 57.345 0.103 0.000 1.274 424 W CB -0.633 28.871 29.460 0.073 0.000 1.138 424 W HN 0.238 nan 8.180 nan 0.000 0.515 425 A N -0.262 122.431 122.820 -0.213 0.000 1.933 425 A HA -0.239 4.078 4.320 -0.005 0.000 0.218 425 A C 1.902 179.247 177.584 -0.399 0.000 1.175 425 A CA 1.698 53.408 52.037 -0.544 0.000 0.628 425 A CB -1.585 17.366 19.000 -0.080 0.000 0.814 425 A HN 0.634 nan 8.150 nan 0.000 0.444 426 Y N 0.020 120.178 120.300 -0.236 0.000 2.114 426 Y HA -0.248 4.299 4.550 -0.005 0.000 0.284 426 Y C 2.344 178.086 175.900 -0.263 0.000 1.143 426 Y CA 2.296 60.266 58.100 -0.217 0.000 1.135 426 Y CB -0.273 38.162 38.460 -0.042 0.000 0.980 426 Y HN 0.213 nan 8.280 nan 0.000 0.499 427 M N 0.345 119.864 119.600 -0.135 0.000 2.108 427 M HA -0.190 4.287 4.480 -0.005 0.000 0.261 427 M C 2.494 178.609 176.300 -0.308 0.000 1.066 427 M CA 1.727 56.921 55.300 -0.177 0.000 1.107 427 M CB -1.906 30.724 32.600 0.051 0.000 1.356 427 M HN 0.513 nan 8.290 nan 0.000 0.406 428 A N 0.620 123.133 122.820 -0.511 0.000 1.883 428 A HA -0.157 4.160 4.320 -0.005 0.000 0.217 428 A C 2.242 179.588 177.584 -0.398 0.000 1.186 428 A CA 1.615 53.345 52.037 -0.511 0.000 0.624 428 A CB -0.944 17.484 19.000 -0.953 0.000 0.822 428 A HN 0.482 nan 8.150 nan 0.000 0.444 429 I N -0.156 120.121 120.570 -0.488 0.000 2.264 429 I HA -0.298 3.868 4.170 -0.005 0.000 0.248 429 I C 2.921 178.822 176.117 -0.361 0.000 1.111 429 I CA 1.087 62.130 61.300 -0.429 0.000 1.382 429 I CB -0.380 37.279 38.000 -0.568 0.000 1.060 429 I HN 0.362 nan 8.210 nan 0.000 0.418 430 A N 0.847 123.408 122.820 -0.431 0.000 1.933 430 A HA -0.176 4.141 4.320 -0.005 0.000 0.218 430 A C 2.422 179.954 177.584 -0.087 0.000 1.175 430 A CA 1.366 53.189 52.037 -0.356 0.000 0.628 430 A CB -0.504 18.146 19.000 -0.582 0.000 0.814 430 A HN 0.314 nan 8.150 nan 0.000 0.444 431 R N -0.750 119.708 120.500 -0.070 0.000 2.092 431 R HA 0.061 4.398 4.340 -0.005 0.000 0.231 431 R C 1.897 178.166 176.300 -0.052 0.000 1.119 431 R CA 1.049 57.140 56.100 -0.015 0.000 0.970 431 R CB -0.403 29.882 30.300 -0.024 0.000 0.864 431 R HN 0.474 nan 8.270 nan 0.000 0.440 432 L N -0.311 120.849 121.223 -0.106 0.000 2.275 432 L HA -0.062 4.275 4.340 -0.005 0.000 0.215 432 L C 1.958 178.768 176.870 -0.100 0.000 1.119 432 L CA 0.968 55.742 54.840 -0.109 0.000 0.790 432 L CB -0.217 41.749 42.059 -0.155 0.000 0.919 432 L HN 0.341 nan 8.230 nan 0.000 0.443 433 G N -1.967 106.776 108.800 -0.094 0.000 3.042 433 G HA2 0.281 4.237 3.960 -0.005 0.000 0.212 433 G HA3 0.281 4.237 3.960 -0.005 0.000 0.212 433 G C 1.144 176.035 174.900 -0.014 0.000 1.166 433 G CA 0.533 45.592 45.100 -0.068 0.000 0.767 433 G HN 0.472 nan 8.290 nan 0.000 0.546 434 G N -0.655 108.146 108.800 0.003 0.000 2.201 434 G HA2 -0.246 3.710 3.960 -0.005 0.000 0.212 434 G HA3 -0.246 3.710 3.960 -0.005 0.000 0.212 434 G C 0.244 175.178 174.900 0.056 0.000 0.994 434 G CA -0.081 45.030 45.100 0.018 0.000 0.644 434 G HN 0.518 nan 8.290 nan 0.000 0.508 435 F N 2.713 122.609 119.950 -0.090 0.000 2.590 435 F HA 0.525 5.048 4.527 -0.006 0.000 0.389 435 F C 1.232 176.992 175.800 -0.066 0.000 1.049 435 F CA 0.068 58.017 58.000 -0.085 0.000 1.199 435 F CB 0.421 39.349 39.000 -0.120 0.000 1.058 435 F HN 0.060 nan 8.300 nan 0.000 0.556 436 M N 3.998 123.244 119.600 -0.591 0.000 2.504 436 M HA 0.091 4.568 4.480 -0.005 0.000 0.370 436 M C 0.127 175.997 176.300 -0.718 0.000 1.110 436 M CA 0.036 55.007 55.300 -0.549 0.000 0.938 436 M CB -0.683 31.759 32.600 -0.263 0.000 1.460 436 M HN 0.617 nan 8.290 nan 0.000 0.535 437 D N 2.153 121.729 120.400 -1.373 0.000 2.697 437 D HA -0.144 4.493 4.640 -0.005 0.000 0.235 437 D C 0.997 177.111 176.300 -0.310 0.000 1.167 437 D CA 0.894 54.396 54.000 -0.830 0.000 0.656 437 D CB -0.381 40.063 40.800 -0.592 0.000 1.025 437 D HN 0.545 nan 8.370 nan 0.000 0.419 438 S N -0.618 114.949 115.700 -0.221 0.000 2.442 438 S HA -0.161 4.306 4.470 -0.005 0.000 0.236 438 S C 1.443 176.004 174.600 -0.065 0.000 1.007 438 S CA 0.628 58.757 58.200 -0.117 0.000 0.965 438 S CB 0.265 63.416 63.200 -0.082 0.000 0.773 438 S HN 0.281 nan 8.310 nan 0.000 0.504 439 K N 0.777 121.155 120.400 -0.036 0.000 2.498 439 K HA 0.219 4.536 4.320 -0.005 0.000 0.207 439 K C -0.306 176.295 176.600 0.000 0.000 1.033 439 K CA -0.253 56.027 56.287 -0.012 0.000 1.138 439 K CB 0.300 32.802 32.500 0.004 0.000 0.860 439 K HN 0.222 nan 8.250 nan 0.000 0.490 440 R N 0.229 120.721 120.500 -0.014 0.000 3.266 440 R HA -0.167 4.170 4.340 -0.005 0.000 0.245 440 R C 0.762 177.090 176.300 0.047 0.000 0.941 440 R CA 1.273 57.377 56.100 0.006 0.000 0.638 440 R CB -3.247 27.051 30.300 -0.004 0.000 1.019 440 R HN 0.431 nan 8.270 nan 0.000 0.462 441 T N -5.180 109.429 114.554 0.092 0.000 2.990 441 T HA 0.317 4.664 4.350 -0.005 0.000 0.250 441 T C 1.480 176.272 174.700 0.154 0.000 1.041 441 T CA 1.004 63.165 62.100 0.102 0.000 1.010 441 T CB 0.825 69.743 68.868 0.084 0.000 1.003 441 T HN 0.778 nan 8.240 nan 0.000 0.499 442 G N 1.717 110.672 108.800 0.259 0.000 2.234 442 G HA2 -0.209 3.747 3.960 -0.005 0.000 0.260 442 G HA3 -0.209 3.747 3.960 -0.005 0.000 0.260 442 G C 0.051 175.162 174.900 0.352 0.000 0.987 442 G CA 0.226 45.526 45.100 0.333 0.000 0.625 442 G HN 0.668 nan 8.290 nan 0.000 0.532 443 I N 1.773 122.499 120.570 0.261 0.000 2.315 443 I HA 0.607 4.774 4.170 -0.005 0.000 0.291 443 I C 0.749 176.788 176.117 -0.131 0.000 1.006 443 I CA -0.336 61.031 61.300 0.111 0.000 1.265 443 I CB 1.567 39.617 38.000 0.084 0.000 1.387 443 I HN 0.282 nan 8.210 nan 0.000 0.475 444 A N 4.913 127.458 122.820 -0.459 0.000 2.282 444 A HA 0.669 4.986 4.320 -0.005 0.000 0.319 444 A C 0.259 177.695 177.584 -0.246 0.000 1.121 444 A CA -0.501 51.053 52.037 -0.806 0.000 0.836 444 A CB 0.904 19.130 19.000 -1.289 0.000 1.146 444 A HN 0.766 nan 8.150 nan 0.000 0.494 445 S N 1.080 116.660 115.700 -0.201 0.000 2.603 445 S HA 0.190 4.657 4.470 -0.005 0.000 0.268 445 S C 1.106 175.658 174.600 -0.080 0.000 1.317 445 S CA -0.055 58.040 58.200 -0.175 0.000 1.012 445 S CB 0.295 63.311 63.200 -0.306 0.000 0.926 445 S HN 1.079 nan 8.310 nan 0.000 0.539 446 W N 0.783 122.129 121.300 0.077 0.000 2.364 446 W HA 0.004 4.660 4.660 -0.006 0.000 0.281 446 W C 1.412 178.002 176.519 0.118 0.000 1.219 446 W CA 0.666 58.068 57.345 0.094 0.000 1.220 446 W CB -1.576 27.940 29.460 0.093 0.000 1.127 446 W HN 0.800 nan 8.180 nan 0.000 0.556 447 G N 1.369 110.087 108.800 -0.138 0.000 2.402 447 G HA2 -0.096 3.860 3.960 -0.005 0.000 0.216 447 G HA3 -0.096 3.860 3.960 -0.005 0.000 0.216 447 G C 1.842 176.806 174.900 0.106 0.000 1.162 447 G CA 1.875 46.964 45.100 -0.018 0.000 0.777 447 G HN 0.367 nan 8.290 nan 0.000 0.539 448 A N 0.680 123.492 122.820 -0.014 0.000 1.898 448 A HA 0.128 4.445 4.320 -0.005 0.000 0.216 448 A C 2.355 179.923 177.584 -0.026 0.000 1.181 448 A CA 1.042 53.067 52.037 -0.021 0.000 0.620 448 A CB -0.398 18.558 19.000 -0.073 0.000 0.819 448 A HN 0.273 nan 8.150 nan 0.000 0.442 449 L N -1.076 120.136 121.223 -0.019 0.000 2.042 449 L HA -0.206 4.131 4.340 -0.005 0.000 0.210 449 L C 2.462 179.398 176.870 0.111 0.000 1.076 449 L CA 1.854 56.677 54.840 -0.028 0.000 0.749 449 L CB -1.310 40.774 42.059 0.041 0.000 0.893 449 L HN 0.846 nan 8.230 nan 0.000 0.432 450 W N 1.421 122.782 121.300 0.101 0.000 2.355 450 W HA -0.197 4.459 4.660 -0.005 0.000 0.309 450 W C 2.115 178.711 176.519 0.130 0.000 1.206 450 W CA 1.148 58.588 57.345 0.158 0.000 1.284 450 W CB 0.063 29.642 29.460 0.198 0.000 1.145 450 W HN 0.203 nan 8.180 nan 0.000 0.502 451 E N 0.256 120.426 120.200 -0.051 0.000 2.077 451 E HA -0.154 4.193 4.350 -0.005 0.000 0.193 451 E C 2.363 178.801 176.600 -0.272 0.000 0.989 451 E CA 1.647 57.933 56.400 -0.189 0.000 0.800 451 E CB -1.218 28.473 29.700 -0.014 0.000 0.746 451 E HN 0.422 nan 8.360 nan 0.000 0.452 452 G N 1.257 109.943 108.800 -0.189 0.000 2.459 452 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.217 452 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.217 452 G C 1.396 176.148 174.900 -0.247 0.000 1.183 452 G CA 0.774 45.749 45.100 -0.209 0.000 0.776 452 G HN 0.383 nan 8.290 nan 0.000 0.552 453 W N 1.366 122.403 121.300 -0.438 0.000 2.317 453 W HA -0.122 4.535 4.660 -0.005 0.000 0.318 453 W C 2.187 178.389 176.519 -0.528 0.000 1.227 453 W CA 1.783 58.858 57.345 -0.451 0.000 1.269 453 W CB -0.218 29.019 29.460 -0.371 0.000 1.155 453 W HN 0.351 nan 8.180 nan 0.000 0.484 454 E N 0.438 120.148 120.200 -0.818 0.000 2.085 454 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 454 E C 2.300 178.567 176.600 -0.555 0.000 0.994 454 E CA 1.577 57.455 56.400 -0.870 0.000 0.801 454 E CB -0.303 28.808 29.700 -0.980 0.000 0.743 454 E HN 0.278 nan 8.360 nan 0.000 0.453 455 A N 1.200 123.765 122.820 -0.425 0.000 1.858 455 A HA -0.186 4.130 4.320 -0.005 0.000 0.216 455 A C 2.163 179.558 177.584 -0.316 0.000 1.190 455 A CA 1.369 53.231 52.037 -0.292 0.000 0.617 455 A CB -0.752 18.119 19.000 -0.215 0.000 0.827 455 A HN 0.346 nan 8.150 nan 0.000 0.443 456 L N -0.537 120.457 121.223 -0.381 0.000 2.012 456 L HA -0.221 4.116 4.340 -0.005 0.000 0.210 456 L C 2.372 178.962 176.870 -0.467 0.000 1.073 456 L CA 2.350 56.955 54.840 -0.391 0.000 0.748 456 L CB -0.675 41.141 42.059 -0.405 0.000 0.891 456 L HN 0.353 nan 8.230 nan 0.000 0.431 457 Q N -0.762 118.631 119.800 -0.679 0.000 2.135 457 Q HA -0.192 4.145 4.340 -0.005 0.000 0.204 457 Q C 2.528 178.314 176.000 -0.357 0.000 0.981 457 Q CA 1.731 57.166 55.803 -0.614 0.000 0.856 457 Q CB -0.673 27.577 28.738 -0.814 0.000 0.902 457 Q HN 0.659 nan 8.270 nan 0.000 0.425 458 S N 0.252 115.766 115.700 -0.309 0.000 2.357 458 S HA -0.068 4.399 4.470 -0.005 0.000 0.221 458 S C 1.673 176.198 174.600 -0.126 0.000 1.031 458 S CA 0.824 58.915 58.200 -0.182 0.000 0.982 458 S CB 0.127 63.237 63.200 -0.150 0.000 0.853 458 S HN 0.292 nan 8.310 nan 0.000 0.458 459 K N 0.566 120.881 120.400 -0.141 0.000 2.209 459 K HA -0.036 4.281 4.320 -0.005 0.000 0.204 459 K C 1.916 178.478 176.600 -0.062 0.000 1.048 459 K CA 0.925 57.159 56.287 -0.089 0.000 0.940 459 K CB -0.285 32.155 32.500 -0.101 0.000 0.729 459 K HN 0.292 nan 8.250 nan 0.000 0.451 460 L N 1.650 122.800 121.223 -0.121 0.000 2.141 460 L HA -0.155 4.182 4.340 -0.005 0.000 0.209 460 L C 1.386 178.273 176.870 0.028 0.000 1.094 460 L CA 1.784 56.583 54.840 -0.070 0.000 0.763 460 L CB -0.273 41.689 42.059 -0.162 0.000 0.908 460 L HN 0.076 nan 8.230 nan 0.000 0.437 461 D N -0.355 120.034 120.400 -0.017 0.000 2.104 461 D HA -0.167 4.470 4.640 -0.005 0.000 0.194 461 D C 2.082 178.402 176.300 0.033 0.000 0.994 461 D CA 1.544 55.547 54.000 0.006 0.000 0.830 461 D CB -0.519 40.275 40.800 -0.009 0.000 0.959 461 D HN 0.492 nan 8.370 nan 0.000 0.452 462 G N -0.114 108.709 108.800 0.037 0.000 2.404 462 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.215 462 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.215 462 G C 1.547 176.484 174.900 0.061 0.000 1.174 462 G CA 0.264 45.387 45.100 0.038 0.000 0.780 462 G HN 0.211 nan 8.290 nan 0.000 0.537 463 F N 1.164 121.073 119.950 -0.069 0.000 2.091 463 F HA -0.070 4.454 4.527 -0.005 0.000 0.299 463 F C 2.502 178.270 175.800 -0.054 0.000 1.103 463 F CA 1.411 59.367 58.000 -0.074 0.000 1.228 463 F CB -0.145 38.808 39.000 -0.079 0.000 0.984 463 F HN 0.033 nan 8.300 nan 0.000 0.477 464 L N -0.781 120.510 121.223 0.112 0.000 2.109 464 L HA -0.149 4.188 4.340 -0.005 0.000 0.207 464 L C 2.743 179.590 176.870 -0.039 0.000 1.086 464 L CA 0.985 55.839 54.840 0.023 0.000 0.760 464 L CB -1.126 40.973 42.059 0.067 0.000 0.910 464 L HN 0.206 nan 8.230 nan 0.000 0.437 465 A N 0.198 123.004 122.820 -0.023 0.000 1.940 465 A HA -0.210 4.107 4.320 -0.005 0.000 0.219 465 A C 2.507 180.052 177.584 -0.065 0.000 1.176 465 A CA 1.879 53.897 52.037 -0.032 0.000 0.631 465 A CB -0.608 18.382 19.000 -0.015 0.000 0.814 465 A HN 0.420 nan 8.150 nan 0.000 0.446 466 A N -0.328 122.429 122.820 -0.105 0.000 1.873 466 A HA -0.121 4.196 4.320 -0.005 0.000 0.215 466 A C 2.125 179.610 177.584 -0.165 0.000 1.186 466 A CA 1.889 53.842 52.037 -0.139 0.000 0.616 466 A CB -0.488 18.400 19.000 -0.187 0.000 0.823 466 A HN 0.550 nan 8.150 nan 0.000 0.442 467 K N -0.357 119.908 120.400 -0.225 0.000 2.020 467 K HA -0.288 4.029 4.320 -0.005 0.000 0.212 467 K C 1.853 178.389 176.600 -0.107 0.000 1.050 467 K CA 2.122 58.292 56.287 -0.196 0.000 0.929 467 K CB -0.335 32.039 32.500 -0.210 0.000 0.714 467 K HN 0.402 nan 8.250 nan 0.000 0.443 468 D N 0.524 120.878 120.400 -0.076 0.000 2.103 468 D HA -0.189 4.448 4.640 -0.005 0.000 0.190 468 D C 2.089 178.363 176.300 -0.044 0.000 0.997 468 D CA 1.591 55.564 54.000 -0.045 0.000 0.833 468 D CB -0.271 40.512 40.800 -0.028 0.000 0.961 468 D HN 0.271 nan 8.370 nan 0.000 0.447 469 L N -0.490 120.705 121.223 -0.047 0.000 2.012 469 L HA -0.209 4.128 4.340 -0.005 0.000 0.210 469 L C 2.591 179.433 176.870 -0.046 0.000 1.073 469 L CA 1.260 56.075 54.840 -0.042 0.000 0.748 469 L CB -0.483 41.551 42.059 -0.041 0.000 0.891 469 L HN 0.176 nan 8.230 nan 0.000 0.431 470 M N 0.036 119.597 119.600 -0.064 0.000 2.213 470 M HA -0.135 4.342 4.480 -0.005 0.000 0.263 470 M C 2.164 178.434 176.300 -0.051 0.000 1.062 470 M CA 1.976 57.238 55.300 -0.064 0.000 1.105 470 M CB -0.508 32.037 32.600 -0.092 0.000 1.385 470 M HN 0.193 nan 8.290 nan 0.000 0.417 471 A N -0.198 122.592 122.820 -0.050 0.000 2.014 471 A HA -0.135 4.182 4.320 -0.005 0.000 0.218 471 A C 1.838 179.407 177.584 -0.025 0.000 1.163 471 A CA 1.361 53.376 52.037 -0.036 0.000 0.652 471 A CB -0.776 18.204 19.000 -0.033 0.000 0.808 471 A HN 0.759 nan 8.150 nan 0.000 0.449 472 Q N -1.189 118.596 119.800 -0.025 0.000 2.247 472 Q HA 0.352 4.689 4.340 -0.005 0.000 0.205 472 Q C 0.783 176.773 176.000 -0.018 0.000 0.896 472 Q CA 0.389 56.181 55.803 -0.018 0.000 0.950 472 Q CB -0.335 28.394 28.738 -0.015 0.000 1.054 472 Q HN 0.866 nan 8.270 nan 0.000 0.482 473 G N 1.692 110.479 108.800 -0.021 0.000 2.176 473 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.252 473 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.252 473 G C -0.118 174.771 174.900 -0.019 0.000 1.024 473 G CA 0.136 45.225 45.100 -0.019 0.000 0.755 473 G HN 0.465 nan 8.290 nan 0.000 0.507 474 I N 0.077 120.634 120.570 -0.022 0.000 2.359 474 I HA 0.313 4.480 4.170 -0.005 0.000 0.294 474 I C 0.817 176.919 176.117 -0.025 0.000 0.987 474 I CA -0.874 60.413 61.300 -0.021 0.000 1.225 474 I CB 1.556 39.544 38.000 -0.020 0.000 1.366 474 I HN 0.054 nan 8.210 nan 0.000 0.466 475 K N 5.445 125.832 120.400 -0.021 0.000 2.448 475 K HA 0.241 4.558 4.320 -0.005 0.000 0.278 475 K C -0.718 175.868 176.600 -0.025 0.000 1.009 475 K CA -0.308 55.966 56.287 -0.022 0.000 0.995 475 K CB 0.554 33.044 32.500 -0.016 0.000 0.917 475 K HN 0.390 nan 8.250 nan 0.000 0.481 476 I N 4.049 124.601 120.570 -0.030 0.000 2.371 476 I HA 0.203 4.370 4.170 -0.005 0.000 0.290 476 I C 0.709 176.813 176.117 -0.023 0.000 1.028 476 I CA 1.083 62.364 61.300 -0.031 0.000 1.345 476 I CB 0.992 38.965 38.000 -0.045 0.000 1.407 476 I HN 0.940 nan 8.210 nan 0.000 0.501 477 G N 0.000 108.789 108.800 -0.018 0.000 5.446 477 G HA2 0.000 3.957 3.960 -0.005 0.000 0.244 477 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 477 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 477 G HN 0.000 nan 8.290 nan 0.000 0.925