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 3ez6_1_B DATA FIRST_RESID 5 DATA SEQUENCE SQLHKVAQRA NRMLNVLTEQ VQLQKDELHA NEFYQVYAKA ALAKLPLLTR DATA SEQUENCE ANVDYAVSEM EEKGYVFDKR PAGSSMKYAM SIQNIIDIYE HRGVPKYRDR DATA SEQUENCE YSEAYVIFIS NLKGGVSKTV STVSLAHAMR AHPHLLMEDL RILVIDLDPQ DATA SEQUENCE SSATMFLSHK HSIGIVNATS AQAMLQNVSR EELLEEFIVP SVVPGVDVMP DATA SEQUENCE ASIDDAFIAS DWRELCNEHL PGQNIHAVLK ENVIDKLKSD YDFILVDSGP DATA SEQUENCE HLDAFLKNAL ASANILFTPL PPATVDFHSS LKYVARLPEL VKLISDEGCE DATA SEQUENCE CQLATNIGFM SKLSNKADHK YCHSLAKEVF GGDMLDVFLP RLDGFERCGE DATA SEQUENCE SFDTVISANP ATYVGSADAL KNARIAAEDF AKAVFDRIEF IRSN 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.642 174.600 0.070 0.000 1.055 5 S CA 0.000 58.238 58.200 0.063 0.000 1.107 5 S CB 0.000 63.240 63.200 0.067 0.000 0.593 6 Q N 0.947 120.776 119.800 0.049 0.000 2.292 6 Q HA 0.347 4.687 4.340 -0.001 0.000 0.247 6 Q C 0.596 176.622 176.000 0.043 0.000 0.911 6 Q CA 0.135 55.964 55.803 0.044 0.000 0.948 6 Q CB 0.160 28.916 28.738 0.030 0.000 1.093 6 Q HN 0.653 nan 8.270 nan 0.000 0.428 7 L N -1.638 119.618 121.223 0.055 0.000 2.854 7 L HA 0.120 4.460 4.340 -0.001 0.000 0.249 7 L C 1.759 178.647 176.870 0.029 0.000 1.091 7 L CA 0.386 55.244 54.840 0.030 0.000 0.935 7 L CB 0.362 42.431 42.059 0.015 0.000 1.367 7 L HN 0.234 nan 8.230 nan 0.000 0.524 8 H N 0.077 119.155 119.070 0.013 0.000 2.535 8 H HA 0.085 4.640 4.556 -0.001 0.000 0.273 8 H C 1.626 176.960 175.328 0.009 0.000 0.983 8 H CA 0.860 56.914 56.048 0.011 0.000 1.238 8 H CB 0.619 30.387 29.762 0.009 0.000 1.412 8 H HN 0.290 nan 8.280 nan 0.000 0.562 9 K N -0.237 120.253 120.400 0.150 0.000 2.007 9 K HA -0.054 4.265 4.320 -0.001 0.000 0.206 9 K C 2.138 178.781 176.600 0.072 0.000 1.047 9 K CA 1.308 57.652 56.287 0.095 0.000 0.937 9 K CB 0.222 32.757 32.500 0.058 0.000 0.718 9 K HN 0.030 nan 8.250 nan 0.000 0.438 10 V N 1.367 121.311 119.914 0.050 0.000 2.427 10 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 10 V C 2.372 178.482 176.094 0.026 0.000 1.051 10 V CA 1.905 64.224 62.300 0.032 0.000 1.048 10 V CB -0.878 30.958 31.823 0.021 0.000 0.666 10 V HN 0.310 nan 8.190 nan 0.000 0.456 11 A N -0.456 122.373 122.820 0.015 0.000 1.908 11 A HA -0.311 4.009 4.320 -0.001 0.000 0.218 11 A C 2.196 179.800 177.584 0.033 0.000 1.181 11 A CA 2.242 54.272 52.037 -0.013 0.000 0.627 11 A CB -0.564 18.361 19.000 -0.126 0.000 0.818 11 A HN 0.516 nan 8.150 nan 0.000 0.445 12 Q N -0.521 119.333 119.800 0.090 0.000 2.002 12 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 12 Q C 2.309 178.337 176.000 0.047 0.000 0.988 12 Q CA 2.050 57.905 55.803 0.088 0.000 0.843 12 Q CB -0.294 28.503 28.738 0.098 0.000 0.908 12 Q HN 0.651 nan 8.270 nan 0.000 0.420 13 R N -0.629 119.895 120.500 0.040 0.000 2.127 13 R HA -0.122 4.218 4.340 -0.001 0.000 0.238 13 R C 2.115 178.428 176.300 0.021 0.000 1.134 13 R CA 1.094 57.210 56.100 0.027 0.000 0.975 13 R CB -0.378 29.937 30.300 0.025 0.000 0.865 13 R HN 0.290 nan 8.270 nan 0.000 0.447 14 A N 0.863 123.695 122.820 0.020 0.000 1.873 14 A HA -0.205 4.115 4.320 -0.001 0.000 0.215 14 A C 1.852 179.443 177.584 0.012 0.000 1.186 14 A CA 1.587 53.633 52.037 0.015 0.000 0.616 14 A CB -0.760 18.248 19.000 0.012 0.000 0.823 14 A HN 0.430 nan 8.150 nan 0.000 0.442 15 N N -0.992 117.716 118.700 0.012 0.000 2.104 15 N HA -0.196 4.544 4.740 -0.001 0.000 0.190 15 N C 2.085 177.601 175.510 0.009 0.000 1.024 15 N CA 1.164 54.219 53.050 0.008 0.000 0.853 15 N CB -0.093 38.401 38.487 0.013 0.000 1.008 15 N HN 0.440 nan 8.380 nan 0.000 0.424 16 R N -0.039 120.469 120.500 0.013 0.000 2.081 16 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 16 R C 2.202 178.507 176.300 0.009 0.000 1.131 16 R CA 1.051 57.158 56.100 0.011 0.000 0.960 16 R CB -0.205 30.103 30.300 0.013 0.000 0.856 16 R HN 0.331 nan 8.270 nan 0.000 0.436 17 M N 0.718 120.324 119.600 0.010 0.000 2.149 17 M HA -0.146 4.333 4.480 -0.001 0.000 0.261 17 M C 2.249 178.553 176.300 0.007 0.000 1.064 17 M CA 1.495 56.800 55.300 0.009 0.000 1.102 17 M CB -0.667 31.939 32.600 0.010 0.000 1.369 17 M HN 0.184 nan 8.290 nan 0.000 0.408 18 L N -0.128 121.099 121.223 0.006 0.000 2.012 18 L HA -0.291 4.048 4.340 -0.001 0.000 0.210 18 L C 2.199 179.069 176.870 0.001 0.000 1.073 18 L CA 1.134 55.976 54.840 0.003 0.000 0.748 18 L CB -1.047 41.012 42.059 0.000 0.000 0.891 18 L HN 0.329 nan 8.230 nan 0.000 0.431 19 N N 0.029 118.730 118.700 0.001 0.000 2.061 19 N HA -0.172 4.568 4.740 -0.001 0.000 0.193 19 N C 1.886 177.397 175.510 0.002 0.000 1.030 19 N CA 1.519 54.569 53.050 0.000 0.000 0.856 19 N CB -0.713 37.775 38.487 0.001 0.000 1.023 19 N HN 0.137 nan 8.380 nan 0.000 0.424 20 V N 2.266 122.182 119.914 0.004 0.000 2.220 20 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 20 V C 2.588 178.685 176.094 0.005 0.000 1.049 20 V CA 1.407 63.710 62.300 0.005 0.000 1.003 20 V CB -0.750 31.077 31.823 0.006 0.000 0.634 20 V HN 0.234 nan 8.190 nan 0.000 0.444 21 L N -0.354 120.872 121.223 0.004 0.000 2.013 21 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 21 L C 2.665 179.536 176.870 0.001 0.000 1.073 21 L CA 2.228 57.070 54.840 0.003 0.000 0.753 21 L CB -1.111 40.949 42.059 0.002 0.000 0.890 21 L HN 0.420 nan 8.230 nan 0.000 0.432 22 T N -0.643 113.911 114.554 -0.001 0.000 2.652 22 T HA -0.240 4.109 4.350 -0.001 0.000 0.267 22 T C 1.702 176.400 174.700 -0.002 0.000 1.039 22 T CA 1.647 63.745 62.100 -0.004 0.000 1.153 22 T CB -0.253 68.611 68.868 -0.006 0.000 0.863 22 T HN 0.405 nan 8.240 nan 0.000 0.428 23 E N 0.674 120.874 120.200 -0.000 0.000 2.265 23 E HA -0.146 4.204 4.350 -0.001 0.000 0.196 23 E C 2.456 179.059 176.600 0.005 0.000 0.996 23 E CA 0.737 57.138 56.400 0.001 0.000 0.832 23 E CB -0.079 29.622 29.700 0.002 0.000 0.756 23 E HN 0.560 nan 8.360 nan 0.000 0.491 24 Q N 0.076 119.880 119.800 0.007 0.000 2.049 24 Q HA -0.084 4.255 4.340 -0.001 0.000 0.198 24 Q C 2.305 178.317 176.000 0.020 0.000 0.971 24 Q CA 1.010 56.821 55.803 0.014 0.000 0.833 24 Q CB 0.054 28.802 28.738 0.016 0.000 0.896 24 Q HN 0.160 nan 8.270 nan 0.000 0.434 25 V N 0.376 120.299 119.914 0.015 0.000 3.217 25 V HA -0.165 3.955 4.120 -0.001 0.000 0.264 25 V C 1.754 177.856 176.094 0.014 0.000 1.135 25 V CA 1.307 63.618 62.300 0.019 0.000 1.142 25 V CB -0.073 31.746 31.823 -0.007 0.000 0.754 25 V HN 0.353 nan 8.190 nan 0.000 0.484 26 Q N -0.949 118.856 119.800 0.008 0.000 2.488 26 Q HA 0.024 4.363 4.340 -0.001 0.000 0.211 26 Q C 1.701 177.706 176.000 0.009 0.000 0.967 26 Q CA 0.993 56.798 55.803 0.004 0.000 0.926 26 Q CB 0.155 28.893 28.738 -0.001 0.000 0.992 26 Q HN 0.695 nan 8.270 nan 0.000 0.506 27 L N -1.145 120.086 121.223 0.014 0.000 2.349 27 L HA 0.047 4.386 4.340 -0.001 0.000 0.200 27 L C 1.668 178.549 176.870 0.017 0.000 1.064 27 L CA 0.234 55.082 54.840 0.013 0.000 0.821 27 L CB -0.220 41.845 42.059 0.010 0.000 1.027 27 L HN 0.065 nan 8.230 nan 0.000 0.476 28 Q N 2.055 121.870 119.800 0.026 0.000 2.547 28 Q HA -0.094 4.245 4.340 -0.001 0.000 0.217 28 Q C 0.138 176.163 176.000 0.042 0.000 0.978 28 Q CA 0.268 56.086 55.803 0.025 0.000 0.962 28 Q CB -0.367 28.406 28.738 0.059 0.000 0.990 28 Q HN 0.466 nan 8.270 nan 0.000 0.538 29 K N 1.642 122.064 120.400 0.036 0.000 2.086 29 K HA 0.018 4.338 4.320 -0.001 0.000 0.215 29 K C -0.187 176.445 176.600 0.054 0.000 1.207 29 K CA -0.051 56.259 56.287 0.037 0.000 1.206 29 K CB -0.010 32.504 32.500 0.024 0.000 1.253 29 K HN -0.071 nan 8.250 nan 0.000 0.234 30 D N 2.541 122.985 120.400 0.073 0.000 2.419 30 D HA -0.067 4.573 4.640 -0.001 0.000 0.236 30 D C -0.418 175.959 176.300 0.129 0.000 1.165 30 D CA 0.352 54.415 54.000 0.106 0.000 0.882 30 D CB 0.835 41.723 40.800 0.146 0.000 1.201 30 D HN 0.439 nan 8.370 nan 0.000 0.443 31 E N 2.807 123.106 120.200 0.164 0.000 2.046 31 E HA 0.137 4.487 4.350 -0.001 0.000 0.279 31 E C -0.189 176.563 176.600 0.254 0.000 0.989 31 E CA -0.599 55.904 56.400 0.172 0.000 0.798 31 E CB 1.012 30.816 29.700 0.174 0.000 1.086 31 E HN 0.378 nan 8.360 nan 0.000 0.399 32 L N 5.283 126.607 121.223 0.168 0.000 2.699 32 L HA -0.045 4.295 4.340 -0.001 0.000 0.283 32 L C -0.270 176.690 176.870 0.151 0.000 1.166 32 L CA -0.008 54.937 54.840 0.175 0.000 1.043 32 L CB -0.493 41.645 42.059 0.131 0.000 1.369 32 L HN 0.380 nan 8.230 nan 0.000 0.462 33 H N 3.208 122.323 119.070 0.074 0.000 2.848 33 H HA 0.132 4.688 4.556 -0.001 0.000 0.317 33 H C 1.096 176.468 175.328 0.074 0.000 1.046 33 H CA 0.473 56.559 56.048 0.064 0.000 1.470 33 H CB 1.599 31.396 29.762 0.058 0.000 1.483 33 H HN 0.731 nan 8.280 nan 0.000 0.548 34 A N 3.729 126.619 122.820 0.116 0.000 1.892 34 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 34 A C 1.666 179.341 177.584 0.151 0.000 1.188 34 A CA 1.811 53.912 52.037 0.106 0.000 0.631 34 A CB -0.608 18.428 19.000 0.061 0.000 0.822 34 A HN 0.909 nan 8.150 nan 0.000 0.447 35 N N 0.098 118.890 118.700 0.154 0.000 2.523 35 N HA 0.032 4.772 4.740 -0.001 0.000 0.208 35 N C 0.534 176.132 175.510 0.146 0.000 1.313 35 N CA 0.805 53.942 53.050 0.145 0.000 0.853 35 N CB -0.174 38.385 38.487 0.119 0.000 1.090 35 N HN 0.683 nan 8.380 nan 0.000 0.463 36 E N -0.944 119.361 120.200 0.176 0.000 2.447 36 E HA 0.054 4.403 4.350 -0.001 0.000 0.204 36 E C -0.543 176.177 176.600 0.199 0.000 0.977 36 E CA -0.409 56.086 56.400 0.158 0.000 0.950 36 E CB 0.159 29.952 29.700 0.155 0.000 0.975 36 E HN 0.335 nan 8.360 nan 0.000 0.496 37 F N 2.457 122.438 119.950 0.051 0.000 2.571 37 F HA -0.090 4.437 4.527 -0.001 0.000 0.384 37 F C 1.072 176.872 175.800 -0.001 0.000 1.058 37 F CA -0.831 57.178 58.000 0.015 0.000 1.200 37 F CB 0.194 39.167 39.000 -0.045 0.000 1.077 37 F HN 0.014 nan 8.300 nan 0.000 0.558 38 Y N 2.610 122.652 120.300 -0.430 0.000 2.207 38 Y HA -0.139 4.411 4.550 -0.001 0.000 0.287 38 Y C 1.003 176.611 175.900 -0.487 0.000 1.156 38 Y CA 0.864 58.728 58.100 -0.392 0.000 1.182 38 Y CB -1.197 37.087 38.460 -0.293 0.000 0.979 38 Y HN 0.549 nan 8.280 nan 0.000 0.521 39 Q N 1.908 120.661 119.800 -1.745 0.000 2.247 39 Q HA 0.292 4.631 4.340 -0.001 0.000 0.288 39 Q C -0.763 174.999 176.000 -0.396 0.000 1.079 39 Q CA 0.387 55.539 55.803 -1.085 0.000 0.932 39 Q CB 0.806 28.862 28.738 -1.137 0.000 1.133 39 Q HN 0.432 nan 8.270 nan 0.000 0.377 40 V N 0.656 120.431 119.914 -0.232 0.000 2.932 40 V HA 0.539 4.659 4.120 -0.001 0.000 0.307 40 V C -1.533 174.543 176.094 -0.029 0.000 1.147 40 V CA -1.109 61.190 62.300 -0.000 0.000 0.951 40 V CB 1.319 33.156 31.823 0.023 0.000 1.031 40 V HN 0.599 nan 8.190 nan 0.000 0.426 41 Y N 1.846 122.153 120.300 0.011 0.000 2.409 41 Y HA 0.820 5.370 4.550 -0.001 0.000 0.339 41 Y C 0.819 176.735 175.900 0.028 0.000 1.033 41 Y CA -0.388 57.722 58.100 0.016 0.000 1.094 41 Y CB 2.207 40.677 38.460 0.018 0.000 1.210 41 Y HN 1.080 nan 8.280 nan 0.000 0.456 42 A N 3.096 126.013 122.820 0.162 0.000 2.407 42 A HA 0.154 4.473 4.320 -0.001 0.000 0.248 42 A C 1.524 179.167 177.584 0.098 0.000 1.082 42 A CA -0.465 51.638 52.037 0.109 0.000 0.785 42 A CB 0.553 19.592 19.000 0.066 0.000 1.020 42 A HN 1.032 nan 8.150 nan 0.000 0.489 43 K N 1.636 122.071 120.400 0.059 0.000 2.059 43 K HA -0.256 4.063 4.320 -0.001 0.000 0.212 43 K C 1.905 178.480 176.600 -0.042 0.000 1.050 43 K CA 1.948 58.208 56.287 -0.046 0.000 0.927 43 K CB -0.334 32.085 32.500 -0.134 0.000 0.714 43 K HN 0.810 nan 8.250 nan 0.000 0.447 44 A N 0.742 123.557 122.820 -0.008 0.000 2.024 44 A HA -0.105 4.215 4.320 -0.001 0.000 0.220 44 A C 2.231 179.826 177.584 0.017 0.000 1.164 44 A CA 1.828 53.862 52.037 -0.005 0.000 0.643 44 A CB -0.602 18.402 19.000 0.006 0.000 0.806 44 A HN 0.523 nan 8.150 nan 0.000 0.451 45 A N -0.091 122.765 122.820 0.060 0.000 2.015 45 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 45 A C 2.014 179.650 177.584 0.086 0.000 1.163 45 A CA 1.209 53.314 52.037 0.112 0.000 0.646 45 A CB -0.520 18.613 19.000 0.223 0.000 0.806 45 A HN 0.503 nan 8.150 nan 0.000 0.448 46 L N -0.846 120.381 121.223 0.006 0.000 2.127 46 L HA -0.226 4.114 4.340 -0.001 0.000 0.211 46 L C 3.018 179.854 176.870 -0.058 0.000 1.089 46 L CA 1.146 55.935 54.840 -0.084 0.000 0.757 46 L CB -1.018 40.941 42.059 -0.167 0.000 0.899 46 L HN 0.444 nan 8.230 nan 0.000 0.434 47 A N 0.778 123.574 122.820 -0.039 0.000 1.997 47 A HA -0.250 4.069 4.320 -0.001 0.000 0.221 47 A C 2.254 179.838 177.584 -0.000 0.000 1.172 47 A CA 1.887 53.907 52.037 -0.029 0.000 0.645 47 A CB -0.446 18.542 19.000 -0.021 0.000 0.813 47 A HN 0.398 nan 8.150 nan 0.000 0.454 48 K N -0.760 119.658 120.400 0.030 0.000 2.504 48 K HA 0.161 4.480 4.320 -0.001 0.000 0.195 48 K C -0.000 176.645 176.600 0.076 0.000 1.036 48 K CA 0.086 56.407 56.287 0.057 0.000 0.984 48 K CB -0.211 32.341 32.500 0.087 0.000 0.788 48 K HN 0.468 nan 8.250 nan 0.000 0.488 49 L N 2.222 123.480 121.223 0.059 0.000 2.379 49 L HA 0.267 4.607 4.340 -0.001 0.000 0.269 49 L C -2.091 174.818 176.870 0.065 0.000 1.084 49 L CA -2.540 52.358 54.840 0.096 0.000 0.802 49 L CB 0.351 42.468 42.059 0.098 0.000 1.175 49 L HN -0.129 nan 8.230 nan 0.000 0.448 50 P HA 0.021 nan 4.420 nan 0.000 0.266 50 P C 0.104 177.481 177.300 0.128 0.000 1.195 50 P CA -0.170 62.934 63.100 0.007 0.000 0.768 50 P CB 0.924 32.559 31.700 -0.107 0.000 0.838 51 L N -0.764 120.500 121.223 0.068 0.000 5.174 51 L HA -0.235 4.105 4.340 -0.001 0.000 0.420 51 L C 0.328 177.223 176.870 0.042 0.000 0.973 51 L CA 1.156 56.046 54.840 0.083 0.000 1.381 51 L CB -2.265 39.894 42.059 0.167 0.000 1.819 51 L HN 0.456 nan 8.230 nan 0.000 0.645 52 L N -0.055 121.169 121.223 0.002 0.000 2.317 52 L HA 0.668 5.007 4.340 -0.001 0.000 0.281 52 L C 0.750 177.582 176.870 -0.063 0.000 1.024 52 L CA 0.002 54.791 54.840 -0.084 0.000 0.810 52 L CB 1.823 43.766 42.059 -0.194 0.000 1.240 52 L HN 0.254 nan 8.230 nan 0.000 0.427 53 T N -1.569 112.942 114.554 -0.071 0.000 2.908 53 T HA 0.381 4.731 4.350 -0.001 0.000 0.290 53 T C 0.702 175.365 174.700 -0.062 0.000 1.034 53 T CA -0.864 61.202 62.100 -0.057 0.000 1.010 53 T CB 2.362 71.196 68.868 -0.057 0.000 1.068 53 T HN 0.488 nan 8.240 nan 0.000 0.481 54 R N 1.209 121.681 120.500 -0.047 0.000 2.117 54 R HA -0.043 4.297 4.340 -0.001 0.000 0.243 54 R C 2.430 178.710 176.300 -0.034 0.000 1.143 54 R CA 2.211 58.284 56.100 -0.045 0.000 0.968 54 R CB -1.136 29.147 30.300 -0.028 0.000 0.863 54 R HN 0.864 nan 8.270 nan 0.000 0.444 55 A N 0.577 123.381 122.820 -0.027 0.000 1.898 55 A HA -0.134 4.186 4.320 -0.001 0.000 0.214 55 A C 1.625 179.203 177.584 -0.009 0.000 1.183 55 A CA 1.417 53.455 52.037 0.002 0.000 0.622 55 A CB -0.630 18.341 19.000 -0.048 0.000 0.824 55 A HN 0.609 nan 8.150 nan 0.000 0.444 56 N N 0.074 118.727 118.700 -0.079 0.000 2.457 56 N HA -0.048 4.692 4.740 -0.001 0.000 0.180 56 N C 1.062 176.560 175.510 -0.020 0.000 1.050 56 N CA 1.486 54.491 53.050 -0.075 0.000 0.906 56 N CB -0.589 37.841 38.487 -0.096 0.000 0.968 56 N HN 0.194 nan 8.380 nan 0.000 0.445 57 V N 0.814 120.693 119.914 -0.058 0.000 2.407 57 V HA -0.122 3.998 4.120 -0.001 0.000 0.245 57 V C 1.581 177.604 176.094 -0.119 0.000 1.041 57 V CA 1.702 63.933 62.300 -0.115 0.000 1.040 57 V CB -0.490 31.236 31.823 -0.162 0.000 0.671 57 V HN 0.179 nan 8.190 nan 0.000 0.455 58 D N -0.841 119.521 120.400 -0.063 0.000 2.117 58 D HA -0.169 4.471 4.640 -0.001 0.000 0.197 58 D C 2.025 178.307 176.300 -0.031 0.000 0.987 58 D CA 1.426 55.374 54.000 -0.085 0.000 0.829 58 D CB -0.236 40.551 40.800 -0.023 0.000 0.961 58 D HN 0.465 nan 8.370 nan 0.000 0.460 59 Y N 1.282 121.523 120.300 -0.099 0.000 2.145 59 Y HA -0.115 4.434 4.550 -0.001 0.000 0.286 59 Y C 2.479 178.336 175.900 -0.072 0.000 1.145 59 Y CA 1.072 59.138 58.100 -0.058 0.000 1.148 59 Y CB -0.766 37.681 38.460 -0.021 0.000 0.981 59 Y HN -0.077 nan 8.280 nan 0.000 0.507 60 A N -0.496 122.372 122.820 0.080 0.000 1.865 60 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 60 A C 2.427 179.854 177.584 -0.262 0.000 1.191 60 A CA 2.140 54.124 52.037 -0.089 0.000 0.623 60 A CB -1.313 17.671 19.000 -0.027 0.000 0.826 60 A HN 0.241 nan 8.150 nan 0.000 0.444 61 V N -0.217 119.578 119.914 -0.200 0.000 2.469 61 V HA -0.222 3.898 4.120 -0.001 0.000 0.251 61 V C 2.825 178.846 176.094 -0.121 0.000 1.064 61 V CA 2.351 64.517 62.300 -0.224 0.000 1.066 61 V CB -0.648 30.838 31.823 -0.561 0.000 0.667 61 V HN 0.694 nan 8.190 nan 0.000 0.461 62 S N -0.660 114.959 115.700 -0.135 0.000 2.371 62 S HA -0.177 4.292 4.470 -0.001 0.000 0.224 62 S C 1.943 176.512 174.600 -0.052 0.000 1.029 62 S CA 1.563 59.709 58.200 -0.089 0.000 0.978 62 S CB -0.166 62.944 63.200 -0.149 0.000 0.833 62 S HN 0.724 nan 8.310 nan 0.000 0.466 63 E N 0.457 120.608 120.200 -0.081 0.000 2.106 63 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 63 E C 2.166 178.735 176.600 -0.052 0.000 0.984 63 E CA 1.326 57.707 56.400 -0.031 0.000 0.806 63 E CB -0.197 29.545 29.700 0.069 0.000 0.750 63 E HN 0.570 nan 8.360 nan 0.000 0.458 64 M N 0.520 120.002 119.600 -0.196 0.000 2.132 64 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 64 M C 1.987 178.345 176.300 0.098 0.000 1.065 64 M CA 1.424 56.655 55.300 -0.115 0.000 1.122 64 M CB -0.183 32.232 32.600 -0.309 0.000 1.365 64 M HN 0.039 nan 8.290 nan 0.000 0.411 65 E N 0.033 120.332 120.200 0.165 0.000 2.153 65 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 65 E C 1.810 178.485 176.600 0.125 0.000 0.988 65 E CA 0.913 57.443 56.400 0.216 0.000 0.811 65 E CB -0.073 29.766 29.700 0.233 0.000 0.746 65 E HN 0.344 nan 8.360 nan 0.000 0.466 66 E N 1.285 121.534 120.200 0.082 0.000 2.204 66 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 66 E C 0.984 177.624 176.600 0.068 0.000 0.989 66 E CA 0.983 57.420 56.400 0.061 0.000 0.824 66 E CB 0.158 29.884 29.700 0.043 0.000 0.756 66 E HN 0.033 nan 8.360 nan 0.000 0.477 67 K N -1.255 119.195 120.400 0.084 0.000 2.410 67 K HA 0.220 4.539 4.320 -0.001 0.000 0.200 67 K C 0.638 177.290 176.600 0.087 0.000 1.023 67 K CA 0.456 56.794 56.287 0.085 0.000 1.149 67 K CB 0.634 33.196 32.500 0.103 0.000 0.859 67 K HN 0.225 nan 8.250 nan 0.000 0.514 68 G N 1.492 110.347 108.800 0.092 0.000 2.157 68 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.248 68 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.248 68 G C -0.150 174.796 174.900 0.076 0.000 0.979 68 G CA -0.136 45.008 45.100 0.073 0.000 0.650 68 G HN 0.481 nan 8.290 nan 0.000 0.529 69 Y N 0.909 121.194 120.300 -0.025 0.000 2.620 69 Y HA 0.390 4.939 4.550 -0.001 0.000 0.330 69 Y C 0.505 176.344 175.900 -0.101 0.000 1.186 69 Y CA 0.117 58.152 58.100 -0.109 0.000 1.467 69 Y CB 0.834 39.172 38.460 -0.203 0.000 1.262 69 Y HN 0.124 nan 8.280 nan 0.000 0.550 70 V N 8.617 128.274 119.914 -0.427 0.000 2.311 70 V HA 0.167 4.287 4.120 -0.001 0.000 0.275 70 V C -0.483 175.490 176.094 -0.202 0.000 1.022 70 V CA -0.659 61.532 62.300 -0.182 0.000 0.830 70 V CB -0.128 31.597 31.823 -0.164 0.000 1.012 70 V HN 0.552 nan 8.190 nan 0.000 0.452 71 F N 2.433 122.504 119.950 0.200 0.000 2.412 71 F HA 0.273 4.800 4.527 -0.001 0.000 0.348 71 F C 0.930 176.788 175.800 0.097 0.000 1.102 71 F CA -0.370 57.791 58.000 0.269 0.000 1.196 71 F CB 0.805 40.036 39.000 0.385 0.000 1.144 71 F HN 0.430 nan 8.300 nan 0.000 0.541 72 D N 4.221 124.770 120.400 0.248 0.000 2.551 72 D HA 0.077 4.716 4.640 -0.001 0.000 0.223 72 D C -0.138 176.227 176.300 0.108 0.000 1.144 72 D CA -0.072 54.006 54.000 0.129 0.000 1.025 72 D CB -0.150 40.710 40.800 0.100 0.000 1.085 72 D HN 0.368 nan 8.370 nan 0.000 0.506 73 K N 1.483 121.912 120.400 0.047 0.000 2.230 73 K HA 0.244 4.564 4.320 -0.001 0.000 0.253 73 K C 0.808 177.388 176.600 -0.034 0.000 1.008 73 K CA -0.364 55.888 56.287 -0.059 0.000 0.910 73 K CB 0.926 33.313 32.500 -0.189 0.000 0.994 73 K HN 0.375 nan 8.250 nan 0.000 0.495 74 R N 0.568 121.038 120.500 -0.050 0.000 2.664 74 R HA 0.378 4.717 4.340 -0.001 0.000 0.286 74 R C -2.756 173.520 176.300 -0.041 0.000 0.967 74 R CA -2.280 53.804 56.100 -0.027 0.000 0.933 74 R CB 0.985 31.279 30.300 -0.010 0.000 1.146 74 R HN 0.208 nan 8.270 nan 0.000 0.468 75 P HA 0.186 nan 4.420 nan 0.000 0.231 75 P C -1.383 175.903 177.300 -0.024 0.000 1.811 75 P CA -0.032 63.051 63.100 -0.028 0.000 1.051 75 P CB 0.663 32.352 31.700 -0.019 0.000 1.951 76 A N 1.733 124.536 122.820 -0.028 0.000 2.393 76 A HA 0.827 5.147 4.320 -0.001 0.000 0.306 76 A C 0.298 177.868 177.584 -0.023 0.000 1.050 76 A CA -0.239 51.785 52.037 -0.021 0.000 0.724 76 A CB 1.209 20.200 19.000 -0.015 0.000 1.248 76 A HN 0.526 nan 8.150 nan 0.000 0.424 77 G N 0.710 109.500 108.800 -0.017 0.000 2.746 77 G HA2 0.123 4.083 3.960 -0.001 0.000 0.685 77 G HA3 0.123 4.083 3.960 -0.001 0.000 0.685 77 G C 0.868 175.757 174.900 -0.017 0.000 1.350 77 G CA 0.374 45.466 45.100 -0.015 0.000 0.837 77 G HN 2.122 nan 8.290 nan 0.000 0.564 78 S N -1.069 114.623 115.700 -0.014 0.000 2.383 78 S HA 0.150 4.619 4.470 -0.001 0.000 0.229 78 S C 1.188 175.777 174.600 -0.019 0.000 1.030 78 S CA 1.947 60.139 58.200 -0.014 0.000 1.002 78 S CB -0.004 63.190 63.200 -0.010 0.000 0.829 78 S HN 1.571 nan 8.310 nan 0.000 0.467 79 S N 1.738 117.424 115.700 -0.023 0.000 2.561 79 S HA 0.561 5.030 4.470 -0.001 0.000 0.303 79 S C -0.071 174.495 174.600 -0.057 0.000 1.110 79 S CA -0.801 57.378 58.200 -0.035 0.000 1.034 79 S CB 1.209 64.393 63.200 -0.026 0.000 1.010 79 S HN 0.383 nan 8.310 nan 0.000 0.482 80 M N 2.940 122.491 119.600 -0.081 0.000 2.189 80 M HA -0.029 4.450 4.480 -0.001 0.000 0.319 80 M C 0.446 176.649 176.300 -0.162 0.000 0.991 80 M CA 0.712 55.942 55.300 -0.117 0.000 1.000 80 M CB -0.003 32.510 32.600 -0.146 0.000 1.542 80 M HN 0.326 nan 8.290 nan 0.000 0.442 81 K N 1.542 121.858 120.400 -0.140 0.000 2.118 81 K HA 0.402 4.721 4.320 -0.001 0.000 0.254 81 K C -1.395 175.093 176.600 -0.187 0.000 0.961 81 K CA -0.551 55.672 56.287 -0.107 0.000 0.876 81 K CB 1.310 33.798 32.500 -0.021 0.000 1.077 81 K HN 0.431 nan 8.250 nan 0.000 0.440 82 Y N 0.122 120.403 120.300 -0.030 0.000 2.350 82 Y HA 0.251 4.801 4.550 -0.001 0.000 0.340 82 Y C 0.464 176.376 175.900 0.021 0.000 1.006 82 Y CA -0.437 57.646 58.100 -0.028 0.000 1.166 82 Y CB 1.337 39.723 38.460 -0.124 0.000 1.168 82 Y HN 0.532 nan 8.280 nan 0.000 0.502 83 A N 6.009 128.929 122.820 0.167 0.000 2.654 83 A HA 0.455 4.774 4.320 -0.001 0.000 0.345 83 A C -0.425 177.278 177.584 0.199 0.000 1.368 83 A CA -0.826 51.297 52.037 0.143 0.000 0.895 83 A CB -0.257 18.797 19.000 0.091 0.000 1.143 83 A HN 0.608 nan 8.150 nan 0.000 0.490 84 M N 2.635 122.372 119.600 0.228 0.000 2.227 84 M HA 0.144 4.624 4.480 -0.001 0.000 0.349 84 M C 0.876 177.325 176.300 0.248 0.000 1.443 84 M CA 0.280 55.731 55.300 0.251 0.000 1.110 84 M CB 0.023 32.739 32.600 0.194 0.000 1.773 84 M HN 0.753 nan 8.290 nan 0.000 0.463 85 S N 3.370 119.207 115.700 0.229 0.000 2.652 85 S HA 0.410 4.880 4.470 -0.001 0.000 0.270 85 S C 1.368 176.087 174.600 0.199 0.000 1.243 85 S CA -0.932 57.394 58.200 0.210 0.000 0.999 85 S CB 0.872 64.184 63.200 0.187 0.000 0.973 85 S HN 0.744 nan 8.310 nan 0.000 0.544 86 I N -1.799 118.902 120.570 0.219 0.000 2.530 86 I HA -0.155 4.014 4.170 -0.001 0.000 0.257 86 I C 2.261 178.458 176.117 0.133 0.000 1.179 86 I CA 1.629 63.028 61.300 0.166 0.000 1.440 86 I CB -0.509 37.616 38.000 0.208 0.000 1.087 86 I HN 0.691 nan 8.210 nan 0.000 0.440 87 Q N 1.849 121.736 119.800 0.146 0.000 2.187 87 Q HA -0.111 4.228 4.340 -0.001 0.000 0.199 87 Q C 1.938 178.029 176.000 0.152 0.000 0.957 87 Q CA 1.534 57.417 55.803 0.134 0.000 0.857 87 Q CB -0.205 28.605 28.738 0.121 0.000 0.929 87 Q HN 0.540 nan 8.270 nan 0.000 0.453 88 N N 0.027 118.834 118.700 0.178 0.000 2.142 88 N HA -0.100 4.640 4.740 -0.001 0.000 0.186 88 N C 1.714 177.297 175.510 0.120 0.000 1.023 88 N CA 1.519 54.697 53.050 0.212 0.000 0.852 88 N CB -0.176 38.517 38.487 0.342 0.000 0.998 88 N HN 0.359 nan 8.380 nan 0.000 0.424 89 I N 1.088 121.700 120.570 0.069 0.000 2.226 89 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 89 I C 2.144 178.310 176.117 0.081 0.000 1.100 89 I CA 0.889 62.173 61.300 -0.025 0.000 1.374 89 I CB -0.264 37.676 38.000 -0.100 0.000 1.057 89 I HN 0.038 nan 8.210 nan 0.000 0.413 90 I N 0.886 121.552 120.570 0.161 0.000 2.163 90 I HA -0.318 3.851 4.170 -0.001 0.000 0.243 90 I C 2.086 178.306 176.117 0.171 0.000 1.085 90 I CA 1.513 62.942 61.300 0.216 0.000 1.347 90 I CB -0.489 37.599 38.000 0.148 0.000 1.044 90 I HN 0.267 nan 8.210 nan 0.000 0.408 91 D N 0.748 121.211 120.400 0.106 0.000 2.178 91 D HA -0.123 4.516 4.640 -0.001 0.000 0.201 91 D C 2.212 178.509 176.300 -0.004 0.000 0.980 91 D CA 1.241 55.272 54.000 0.052 0.000 0.842 91 D CB -0.116 40.700 40.800 0.026 0.000 0.948 91 D HN 0.377 nan 8.370 nan 0.000 0.472 92 I N -0.183 120.366 120.570 -0.034 0.000 2.252 92 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 92 I C 2.122 178.246 176.117 0.010 0.000 1.102 92 I CA 0.865 62.128 61.300 -0.063 0.000 1.385 92 I CB -0.199 37.714 38.000 -0.146 0.000 1.064 92 I HN -0.012 nan 8.210 nan 0.000 0.414 93 Y N 0.799 121.111 120.300 0.020 0.000 2.181 93 Y HA -0.311 4.239 4.550 -0.001 0.000 0.288 93 Y C 2.716 178.634 175.900 0.031 0.000 1.146 93 Y CA 1.728 59.840 58.100 0.020 0.000 1.164 93 Y CB -0.147 38.321 38.460 0.012 0.000 0.982 93 Y HN 0.209 nan 8.280 nan 0.000 0.515 94 E N -0.394 119.932 120.200 0.209 0.000 2.051 94 E HA -0.328 4.021 4.350 -0.001 0.000 0.192 94 E C 1.940 178.602 176.600 0.103 0.000 0.991 94 E CA 1.515 57.992 56.400 0.129 0.000 0.799 94 E CB -0.261 29.503 29.700 0.108 0.000 0.748 94 E HN 0.617 nan 8.360 nan 0.000 0.449 95 H N 0.153 119.234 119.070 0.018 0.000 2.421 95 H HA 0.001 4.557 4.556 -0.001 0.000 0.298 95 H C 1.592 176.928 175.328 0.012 0.000 1.087 95 H CA 1.483 57.531 56.048 -0.000 0.000 1.330 95 H CB 0.255 29.994 29.762 -0.039 0.000 1.388 95 H HN -0.009 nan 8.280 nan 0.000 0.526 96 R N -0.177 120.371 120.500 0.080 0.000 2.323 96 R HA 0.117 4.456 4.340 -0.001 0.000 0.198 96 R C 1.289 177.587 176.300 -0.003 0.000 0.988 96 R CA 0.726 56.844 56.100 0.031 0.000 1.041 96 R CB -0.262 30.082 30.300 0.073 0.000 0.926 96 R HN 0.609 nan 8.270 nan 0.000 0.476 97 G N 1.096 109.894 108.800 -0.004 0.000 2.159 97 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.256 97 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.256 97 G C 0.367 175.279 174.900 0.021 0.000 0.977 97 G CA 0.387 45.483 45.100 -0.007 0.000 0.652 97 G HN 0.330 nan 8.290 nan 0.000 0.531 98 V N -0.515 119.438 119.914 0.065 0.000 2.637 98 V HA 0.642 4.761 4.120 -0.001 0.000 0.296 98 V C -0.859 175.245 176.094 0.016 0.000 1.046 98 V CA -1.492 60.836 62.300 0.045 0.000 1.066 98 V CB 0.888 32.759 31.823 0.079 0.000 0.968 98 V HN 0.273 nan 8.190 nan 0.000 0.483 99 P HA 0.286 nan 4.420 nan 0.000 0.271 99 P C -0.630 176.667 177.300 -0.005 0.000 1.218 99 P CA -0.252 62.839 63.100 -0.014 0.000 0.780 99 P CB 0.862 32.540 31.700 -0.037 0.000 0.901 100 K N 1.268 121.677 120.400 0.016 0.000 2.148 100 K HA 0.139 4.458 4.320 -0.001 0.000 0.239 100 K C 1.115 177.778 176.600 0.105 0.000 1.018 100 K CA -0.468 55.855 56.287 0.060 0.000 0.923 100 K CB 0.257 32.798 32.500 0.068 0.000 1.117 100 K HN 0.344 nan 8.250 nan 0.000 0.477 101 Y N 1.917 122.257 120.300 0.066 0.000 2.224 101 Y HA -0.209 4.341 4.550 -0.001 0.000 0.289 101 Y C 2.258 178.209 175.900 0.085 0.000 1.146 101 Y CA 1.645 59.821 58.100 0.126 0.000 1.182 101 Y CB 0.151 38.716 38.460 0.176 0.000 0.983 101 Y HN 0.506 nan 8.280 nan 0.000 0.524 102 R N -0.367 120.226 120.500 0.155 0.000 2.328 102 R HA -0.108 4.231 4.340 -0.001 0.000 0.207 102 R C 0.684 176.968 176.300 -0.026 0.000 1.056 102 R CA 1.573 57.711 56.100 0.063 0.000 1.016 102 R CB -0.364 29.975 30.300 0.065 0.000 0.872 102 R HN 0.299 nan 8.270 nan 0.000 0.471 103 D N 0.756 121.126 120.400 -0.050 0.000 2.346 103 D HA 0.022 4.662 4.640 -0.001 0.000 0.206 103 D C 1.433 177.625 176.300 -0.182 0.000 1.001 103 D CA 0.525 54.473 54.000 -0.087 0.000 0.871 103 D CB 0.211 40.976 40.800 -0.058 0.000 0.943 103 D HN 0.287 nan 8.370 nan 0.000 0.518 104 R N -1.180 119.151 120.500 -0.281 0.000 2.237 104 R HA 0.135 4.475 4.340 -0.001 0.000 0.195 104 R C -0.064 175.643 176.300 -0.989 0.000 0.956 104 R CA 0.381 56.151 56.100 -0.549 0.000 1.029 104 R CB 0.597 30.585 30.300 -0.520 0.000 0.972 104 R HN 0.069 nan 8.270 nan 0.000 0.493 105 Y N -2.450 117.638 120.300 -0.353 0.000 2.638 105 Y HA 0.304 4.853 4.550 -0.001 0.000 0.339 105 Y C 0.722 176.528 175.900 -0.156 0.000 1.084 105 Y CA -0.921 57.010 58.100 -0.281 0.000 1.068 105 Y CB 2.329 40.552 38.460 -0.395 0.000 1.294 105 Y HN -0.303 nan 8.280 nan 0.000 0.480 106 S N -0.501 115.233 115.700 0.056 0.000 2.578 106 S HA 0.255 4.725 4.470 -0.001 0.000 0.228 106 S C -0.498 174.133 174.600 0.051 0.000 1.022 106 S CA -0.182 58.035 58.200 0.028 0.000 0.967 106 S CB 0.358 63.559 63.200 0.002 0.000 0.914 106 S HN 0.580 nan 8.310 nan 0.000 0.515 107 E N 0.709 120.958 120.200 0.082 0.000 2.356 107 E HA 0.616 4.966 4.350 -0.001 0.000 0.275 107 E C -0.910 175.747 176.600 0.094 0.000 0.904 107 E CA -0.766 55.682 56.400 0.079 0.000 0.757 107 E CB 2.029 31.775 29.700 0.077 0.000 1.232 107 E HN 0.222 nan 8.360 nan 0.000 0.442 108 A N 1.855 124.731 122.820 0.093 0.000 2.547 108 A HA 0.054 4.373 4.320 -0.001 0.000 0.233 108 A C -1.082 176.582 177.584 0.134 0.000 1.067 108 A CA 0.572 52.671 52.037 0.102 0.000 0.763 108 A CB 0.016 19.098 19.000 0.136 0.000 1.007 108 A HN 0.635 nan 8.150 nan 0.000 0.506 109 Y N 1.531 121.811 120.300 -0.034 0.000 2.341 109 Y HA 0.486 5.036 4.550 -0.001 0.000 0.338 109 Y C -0.445 175.544 175.900 0.149 0.000 0.965 109 Y CA -0.650 57.471 58.100 0.034 0.000 1.108 109 Y CB 1.705 40.161 38.460 -0.007 0.000 1.180 109 Y HN 0.446 nan 8.280 nan 0.000 0.458 110 V N 8.015 127.816 119.914 -0.188 0.000 2.364 110 V HA 0.302 4.422 4.120 -0.001 0.000 0.272 110 V C -0.055 176.008 176.094 -0.051 0.000 1.036 110 V CA -0.490 61.768 62.300 -0.070 0.000 0.880 110 V CB 0.672 32.446 31.823 -0.083 0.000 0.991 110 V HN 0.599 nan 8.190 nan 0.000 0.460 111 I N 5.555 126.197 120.570 0.120 0.000 2.377 111 I HA 0.444 4.614 4.170 -0.001 0.000 0.293 111 I C -0.867 175.424 176.117 0.290 0.000 0.987 111 I CA -0.410 61.023 61.300 0.221 0.000 1.185 111 I CB 1.616 39.731 38.000 0.192 0.000 1.341 111 I HN 0.491 nan 8.210 nan 0.000 0.455 112 F N 7.980 128.017 119.950 0.145 0.000 2.610 112 F HA 0.525 5.052 4.527 -0.000 0.000 0.355 112 F C -0.596 175.318 175.800 0.190 0.000 1.140 112 F CA -1.278 56.792 58.000 0.118 0.000 1.037 112 F CB 0.778 39.822 39.000 0.074 0.000 1.287 112 F HN 0.192 nan 8.300 nan 0.000 0.457 113 I N 6.011 126.627 120.570 0.076 0.000 2.322 113 I HA 0.311 4.480 4.170 -0.001 0.000 0.292 113 I C 0.004 175.869 176.117 -0.420 0.000 1.060 113 I CA -0.047 61.238 61.300 -0.024 0.000 1.309 113 I CB 0.372 38.439 38.000 0.111 0.000 1.415 113 I HN 0.637 nan 8.210 nan 0.000 0.492 114 S N 5.482 120.843 115.700 -0.565 0.000 2.607 114 S HA 0.673 5.143 4.470 -0.001 0.000 0.273 114 S C -0.976 173.273 174.600 -0.585 0.000 1.148 114 S CA -0.872 56.920 58.200 -0.679 0.000 0.833 114 S CB 2.959 65.417 63.200 -1.238 0.000 1.130 114 S HN 0.581 nan 8.310 nan 0.000 0.470 115 N N 0.127 118.385 118.700 -0.736 0.000 2.647 115 N HA 0.282 5.021 4.740 -0.001 0.000 0.259 115 N C -0.328 174.700 175.510 -0.803 0.000 1.098 115 N CA -0.560 51.833 53.050 -1.095 0.000 0.984 115 N CB 1.401 39.534 38.487 -0.590 0.000 1.683 115 N HN 0.674 nan 8.380 nan 0.000 0.501 116 L N 0.504 121.218 121.223 -0.848 0.000 2.313 116 L HA 0.076 4.416 4.340 -0.001 0.000 0.214 116 L C 0.706 177.438 176.870 -0.230 0.000 1.119 116 L CA 0.734 55.386 54.840 -0.314 0.000 0.809 116 L CB -0.145 41.885 42.059 -0.049 0.000 0.933 116 L HN 0.371 nan 8.230 nan 0.000 0.449 117 K N 1.373 121.624 120.400 -0.249 0.000 2.349 117 K HA 0.244 4.564 4.320 -0.001 0.000 0.288 117 K C 0.165 176.657 176.600 -0.179 0.000 1.058 117 K CA -0.003 56.186 56.287 -0.164 0.000 0.953 117 K CB 0.874 33.293 32.500 -0.136 0.000 0.997 117 K HN 0.027 nan 8.250 nan 0.000 0.477 118 G N 1.532 110.249 108.800 -0.139 0.000 2.547 118 G HA2 0.443 4.402 3.960 -0.001 0.000 0.291 118 G HA3 0.443 4.402 3.960 -0.001 0.000 0.291 118 G C 0.500 175.343 174.900 -0.095 0.000 1.211 118 G CA -0.398 44.625 45.100 -0.128 0.000 0.950 118 G HN 1.021 nan 8.290 nan 0.000 0.504 119 G N -2.093 106.661 108.800 -0.077 0.000 2.175 119 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.265 119 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.265 119 G C 1.175 176.026 174.900 -0.082 0.000 0.979 119 G CA 1.319 46.383 45.100 -0.059 0.000 0.663 119 G HN 1.927 nan 8.290 nan 0.000 0.533 120 V N -2.972 116.873 119.914 -0.115 0.000 3.573 120 V HA 0.571 4.691 4.120 -0.001 0.000 0.270 120 V C 1.447 177.443 176.094 -0.163 0.000 1.221 120 V CA 1.286 63.498 62.300 -0.146 0.000 1.163 120 V CB 0.191 31.903 31.823 -0.184 0.000 0.847 120 V HN 1.986 nan 8.190 nan 0.000 0.468 121 S N -0.726 114.891 115.700 -0.138 0.000 3.362 121 S HA -0.190 4.279 4.470 -0.001 0.000 0.278 121 S C 1.040 175.561 174.600 -0.132 0.000 1.288 121 S CA 1.099 59.206 58.200 -0.154 0.000 0.850 121 S CB -1.915 61.168 63.200 -0.195 0.000 1.062 121 S HN 0.829 nan 8.310 nan 0.000 0.671 122 K N -0.057 120.275 120.400 -0.112 0.000 2.026 122 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 122 K C 2.062 178.618 176.600 -0.074 0.000 1.048 122 K CA 1.932 58.172 56.287 -0.079 0.000 0.929 122 K CB -0.391 32.053 32.500 -0.092 0.000 0.713 122 K HN 0.514 nan 8.250 nan 0.000 0.439 123 T N 0.896 115.398 114.554 -0.086 0.000 2.737 123 T HA -0.086 4.264 4.350 -0.001 0.000 0.265 123 T C 1.991 176.521 174.700 -0.282 0.000 1.038 123 T CA 1.112 63.142 62.100 -0.116 0.000 1.144 123 T CB -0.101 68.753 68.868 -0.023 0.000 0.866 123 T HN -0.067 nan 8.240 nan 0.000 0.434 124 V N 1.461 121.164 119.914 -0.352 0.000 2.490 124 V HA -0.145 3.974 4.120 -0.001 0.000 0.250 124 V C 2.658 178.531 176.094 -0.369 0.000 1.061 124 V CA 1.619 63.626 62.300 -0.488 0.000 1.064 124 V CB -0.692 30.875 31.823 -0.428 0.000 0.670 124 V HN 0.415 nan 8.190 nan 0.000 0.461 125 S N -0.422 115.113 115.700 -0.274 0.000 2.357 125 S HA -0.173 4.297 4.470 -0.001 0.000 0.221 125 S C 2.131 176.673 174.600 -0.097 0.000 1.031 125 S CA 1.849 59.916 58.200 -0.221 0.000 0.982 125 S CB -0.340 62.823 63.200 -0.062 0.000 0.853 125 S HN 0.660 nan 8.310 nan 0.000 0.458 126 T N 1.855 116.353 114.554 -0.094 0.000 2.708 126 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 126 T C 1.902 176.529 174.700 -0.122 0.000 1.037 126 T CA 1.177 63.231 62.100 -0.077 0.000 1.146 126 T CB -0.401 68.439 68.868 -0.048 0.000 0.865 126 T HN 0.133 nan 8.240 nan 0.000 0.435 127 V N 1.169 120.965 119.914 -0.195 0.000 2.307 127 V HA -0.140 3.980 4.120 -0.001 0.000 0.245 127 V C 2.688 178.649 176.094 -0.221 0.000 1.045 127 V CA 1.819 63.963 62.300 -0.260 0.000 1.024 127 V CB -0.565 31.030 31.823 -0.380 0.000 0.651 127 V HN 0.443 nan 8.190 nan 0.000 0.449 128 S N -0.223 115.390 115.700 -0.145 0.000 2.368 128 S HA -0.138 4.332 4.470 -0.001 0.000 0.225 128 S C 1.918 176.544 174.600 0.044 0.000 1.030 128 S CA 1.362 59.563 58.200 0.001 0.000 0.999 128 S CB -0.366 62.862 63.200 0.047 0.000 0.844 128 S HN 0.461 nan 8.310 nan 0.000 0.459 129 L N 1.280 122.515 121.223 0.020 0.000 1.989 129 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 129 L C 2.663 179.500 176.870 -0.056 0.000 1.071 129 L CA 1.851 56.677 54.840 -0.023 0.000 0.749 129 L CB -0.953 41.038 42.059 -0.113 0.000 0.890 129 L HN 0.376 nan 8.230 nan 0.000 0.431 130 A N -0.818 121.966 122.820 -0.061 0.000 1.849 130 A HA -0.303 4.016 4.320 -0.001 0.000 0.217 130 A C 1.969 179.615 177.584 0.103 0.000 1.202 130 A CA 2.002 54.031 52.037 -0.013 0.000 0.629 130 A CB -1.249 17.728 19.000 -0.039 0.000 0.834 130 A HN 0.633 nan 8.150 nan 0.000 0.447 131 H N -1.078 117.994 119.070 0.004 0.000 2.321 131 H HA -0.049 4.506 4.556 -0.001 0.000 0.300 131 H C 2.536 177.879 175.328 0.025 0.000 1.087 131 H CA 0.765 56.818 56.048 0.009 0.000 1.319 131 H CB -0.033 29.754 29.762 0.042 0.000 1.379 131 H HN 0.567 nan 8.280 nan 0.000 0.501 132 A N 0.773 123.700 122.820 0.178 0.000 1.972 132 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 132 A C 2.341 179.983 177.584 0.097 0.000 1.169 132 A CA 1.418 53.527 52.037 0.120 0.000 0.635 132 A CB -0.552 18.519 19.000 0.118 0.000 0.810 132 A HN 0.372 nan 8.150 nan 0.000 0.446 133 M N -1.639 117.989 119.600 0.047 0.000 2.123 133 M HA -0.083 4.397 4.480 -0.001 0.000 0.263 133 M C 2.389 178.697 176.300 0.012 0.000 1.069 133 M CA 1.221 56.514 55.300 -0.012 0.000 1.133 133 M CB -0.125 32.420 32.600 -0.092 0.000 1.356 133 M HN 0.315 nan 8.290 nan 0.000 0.415 134 R N 0.371 120.898 120.500 0.044 0.000 2.083 134 R HA -0.079 4.261 4.340 -0.001 0.000 0.237 134 R C 1.547 177.876 176.300 0.049 0.000 1.137 134 R CA 1.975 58.101 56.100 0.044 0.000 0.951 134 R CB -0.608 29.713 30.300 0.035 0.000 0.851 134 R HN 0.451 nan 8.270 nan 0.000 0.434 135 A N 0.391 123.251 122.820 0.066 0.000 2.345 135 A HA 0.021 4.341 4.320 -0.001 0.000 0.225 135 A C 0.294 177.950 177.584 0.121 0.000 1.243 135 A CA -0.364 51.737 52.037 0.107 0.000 0.875 135 A CB -0.444 18.636 19.000 0.134 0.000 0.929 135 A HN 0.303 nan 8.150 nan 0.000 0.502 136 H N 1.212 120.282 119.070 0.000 0.000 3.004 136 H HA 0.079 4.635 4.556 -0.001 0.000 0.316 136 H C -1.771 173.551 175.328 -0.011 0.000 1.014 136 H CA -1.364 54.663 56.048 -0.036 0.000 1.454 136 H CB 1.055 30.750 29.762 -0.112 0.000 1.472 136 H HN 0.045 nan 8.280 nan 0.000 0.571 137 P HA -0.159 nan 4.420 nan 0.000 0.217 137 P C 0.465 178.004 177.300 0.400 0.000 1.151 137 P CA 1.734 64.973 63.100 0.231 0.000 0.849 137 P CB 0.035 31.802 31.700 0.112 0.000 0.787 138 H N -2.625 116.649 119.070 0.340 0.000 2.526 138 H HA 0.171 4.726 4.556 -0.001 0.000 0.274 138 H C 0.578 175.802 175.328 -0.173 0.000 0.999 138 H CA -0.369 55.700 56.048 0.035 0.000 1.157 138 H CB 0.210 29.952 29.762 -0.033 0.000 1.407 138 H HN 0.034 nan 8.280 nan 0.000 0.568 139 L N 0.313 121.509 121.223 -0.045 0.000 3.016 139 L HA 0.116 4.456 4.340 -0.001 0.000 0.267 139 L C 1.402 178.193 176.870 -0.132 0.000 1.182 139 L CA 0.458 55.153 54.840 -0.242 0.000 0.997 139 L CB 0.213 42.025 42.059 -0.412 0.000 1.354 139 L HN 0.281 nan 8.230 nan 0.000 0.569 140 L N -0.111 121.084 121.223 -0.047 0.000 2.093 140 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 140 L C 2.628 179.416 176.870 -0.136 0.000 1.085 140 L CA 1.276 56.113 54.840 -0.005 0.000 0.755 140 L CB -0.495 41.641 42.059 0.128 0.000 0.904 140 L HN 0.402 nan 8.230 nan 0.000 0.435 141 M N -0.939 118.348 119.600 -0.522 0.000 2.446 141 M HA -0.137 4.343 4.480 -0.001 0.000 0.263 141 M C 1.324 177.473 176.300 -0.252 0.000 1.066 141 M CA 1.650 56.485 55.300 -0.776 0.000 1.087 141 M CB -0.669 31.193 32.600 -1.230 0.000 1.406 141 M HN 0.201 nan 8.290 nan 0.000 0.459 142 E N 1.081 121.206 120.200 -0.126 0.000 2.285 142 E HA -0.103 4.247 4.350 -0.001 0.000 0.194 142 E C 0.173 176.828 176.600 0.091 0.000 0.997 142 E CA 0.571 57.003 56.400 0.053 0.000 0.845 142 E CB -0.561 29.196 29.700 0.095 0.000 0.782 142 E HN 0.592 nan 8.360 nan 0.000 0.491 143 D N 0.540 120.965 120.400 0.043 0.000 2.697 143 D HA -0.199 4.441 4.640 -0.001 0.000 0.235 143 D C -0.715 175.640 176.300 0.092 0.000 1.167 143 D CA 0.253 54.294 54.000 0.069 0.000 0.656 143 D CB -1.495 39.349 40.800 0.074 0.000 1.025 143 D HN 0.116 nan 8.370 nan 0.000 0.419 144 L N 0.314 121.592 121.223 0.091 0.000 2.485 144 L HA 0.194 4.533 4.340 -0.001 0.000 0.275 144 L C 1.308 178.255 176.870 0.128 0.000 1.207 144 L CA 0.451 55.361 54.840 0.117 0.000 0.855 144 L CB 0.462 42.598 42.059 0.128 0.000 1.114 144 L HN 0.037 nan 8.230 nan 0.000 0.485 145 R N 4.162 124.759 120.500 0.161 0.000 2.409 145 R HA 0.656 4.995 4.340 -0.001 0.000 0.313 145 R C -1.152 175.383 176.300 0.392 0.000 0.953 145 R CA -0.412 55.812 56.100 0.207 0.000 0.849 145 R CB 1.500 31.832 30.300 0.054 0.000 1.171 145 R HN 0.483 nan 8.270 nan 0.000 0.458 146 I N 3.683 124.489 120.570 0.393 0.000 2.545 146 I HA 0.351 4.521 4.170 -0.001 0.000 0.292 146 I C -1.150 175.012 176.117 0.076 0.000 1.040 146 I CA -1.154 60.319 61.300 0.288 0.000 1.068 146 I CB 2.122 40.239 38.000 0.195 0.000 1.251 146 I HN 0.317 nan 8.210 nan 0.000 0.424 147 L N 7.619 128.698 121.223 -0.240 0.000 2.341 147 L HA 0.653 4.993 4.340 -0.001 0.000 0.278 147 L C -1.099 175.638 176.870 -0.221 0.000 1.005 147 L CA -0.435 54.101 54.840 -0.506 0.000 0.818 147 L CB 1.825 43.159 42.059 -1.209 0.000 1.259 147 L HN 0.327 nan 8.230 nan 0.000 0.418 148 V N 6.815 126.643 119.914 -0.143 0.000 2.357 148 V HA 0.429 4.549 4.120 -0.001 0.000 0.284 148 V C 0.142 176.184 176.094 -0.087 0.000 1.018 148 V CA -0.384 61.867 62.300 -0.083 0.000 0.841 148 V CB 1.324 33.117 31.823 -0.050 0.000 0.991 148 V HN 0.609 nan 8.190 nan 0.000 0.437 149 I N 4.125 124.641 120.570 -0.089 0.000 2.304 149 I HA 0.283 4.452 4.170 -0.001 0.000 0.291 149 I C -0.087 175.981 176.117 -0.082 0.000 1.018 149 I CA -0.149 61.093 61.300 -0.096 0.000 1.260 149 I CB 1.102 39.028 38.000 -0.123 0.000 1.390 149 I HN 0.514 nan 8.210 nan 0.000 0.475 150 D N 7.510 127.866 120.400 -0.072 0.000 2.313 150 D HA 0.268 4.907 4.640 -0.001 0.000 0.239 150 D C 0.118 176.346 176.300 -0.121 0.000 1.142 150 D CA 0.038 54.002 54.000 -0.060 0.000 0.847 150 D CB 1.295 42.078 40.800 -0.028 0.000 1.082 150 D HN 0.448 nan 8.370 nan 0.000 0.480 151 L N 3.002 124.141 121.223 -0.139 0.000 3.066 151 L HA 0.202 4.541 4.340 -0.001 0.000 0.265 151 L C 0.012 176.821 176.870 -0.101 0.000 1.232 151 L CA -0.168 54.499 54.840 -0.289 0.000 1.031 151 L CB 0.578 42.407 42.059 -0.385 0.000 1.379 151 L HN 0.239 nan 8.230 nan 0.000 0.563 152 D N 0.300 120.705 120.400 0.009 0.000 2.392 152 D HA 0.241 4.880 4.640 -0.001 0.000 0.228 152 D C -1.786 174.575 176.300 0.103 0.000 1.074 152 D CA -2.148 51.919 54.000 0.111 0.000 0.838 152 D CB 2.135 42.994 40.800 0.098 0.000 1.067 152 D HN -0.182 nan 8.370 nan 0.000 0.511 153 P HA -0.176 nan 4.420 nan 0.000 0.219 153 P C 1.068 178.423 177.300 0.091 0.000 1.144 153 P CA 0.998 64.174 63.100 0.126 0.000 0.806 153 P CB 0.330 32.114 31.700 0.140 0.000 0.771 154 Q N -0.721 119.137 119.800 0.097 0.000 2.364 154 Q HA -0.058 4.281 4.340 -0.001 0.000 0.207 154 Q C 1.164 177.197 176.000 0.054 0.000 0.970 154 Q CA 1.418 57.270 55.803 0.082 0.000 0.888 154 Q CB -0.981 27.818 28.738 0.101 0.000 0.951 154 Q HN 0.426 nan 8.270 nan 0.000 0.469 155 S N -1.486 114.241 115.700 0.045 0.000 3.521 155 S HA -0.223 4.246 4.470 -0.001 0.000 0.362 155 S C 1.025 175.622 174.600 -0.005 0.000 1.044 155 S CA 0.739 58.946 58.200 0.010 0.000 1.091 155 S CB -2.120 61.068 63.200 -0.020 0.000 0.908 155 S HN 0.302 nan 8.310 nan 0.000 0.473 156 S N 1.263 117.010 115.700 0.078 0.000 2.382 156 S HA 0.084 4.554 4.470 -0.001 0.000 0.228 156 S C 2.419 177.181 174.600 0.269 0.000 1.027 156 S CA 1.204 59.516 58.200 0.186 0.000 0.991 156 S CB -0.757 62.642 63.200 0.332 0.000 0.823 156 S HN 1.196 nan 8.310 nan 0.000 0.469 157 A N 1.473 124.399 122.820 0.177 0.000 1.877 157 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 157 A C 2.335 179.986 177.584 0.111 0.000 1.186 157 A CA 2.089 54.216 52.037 0.151 0.000 0.620 157 A CB -1.492 17.541 19.000 0.055 0.000 0.822 157 A HN 0.461 nan 8.150 nan 0.000 0.443 158 T N 0.384 114.957 114.554 0.033 0.000 2.665 158 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 158 T C 1.948 176.620 174.700 -0.045 0.000 1.035 158 T CA 1.983 64.079 62.100 -0.007 0.000 1.151 158 T CB -0.380 68.467 68.868 -0.035 0.000 0.862 158 T HN 0.447 nan 8.240 nan 0.000 0.438 159 M N -0.369 119.125 119.600 -0.177 0.000 2.117 159 M HA -0.013 4.466 4.480 -0.001 0.000 0.262 159 M C 2.065 178.228 176.300 -0.229 0.000 1.065 159 M CA 1.710 56.746 55.300 -0.440 0.000 1.114 159 M CB -0.561 31.305 32.600 -1.223 0.000 1.361 159 M HN 0.209 nan 8.290 nan 0.000 0.408 160 F N 0.651 120.586 119.950 -0.025 0.000 2.186 160 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 160 F C 2.132 177.999 175.800 0.111 0.000 1.090 160 F CA 1.196 59.293 58.000 0.163 0.000 1.307 160 F CB -0.342 38.751 39.000 0.156 0.000 1.019 160 F HN 0.031 nan 8.300 nan 0.000 0.489 161 L N -1.030 120.336 121.223 0.238 0.000 2.217 161 L HA -0.058 4.281 4.340 -0.001 0.000 0.211 161 L C 1.174 178.160 176.870 0.194 0.000 1.107 161 L CA 0.431 55.383 54.840 0.187 0.000 0.783 161 L CB -0.633 41.488 42.059 0.102 0.000 0.919 161 L HN 0.093 nan 8.230 nan 0.000 0.442 162 S N -2.723 113.060 115.700 0.139 0.000 2.795 162 S HA 0.295 4.764 4.470 -0.001 0.000 0.308 162 S C -0.629 174.083 174.600 0.187 0.000 1.098 162 S CA -0.746 57.541 58.200 0.145 0.000 0.934 162 S CB 1.348 64.604 63.200 0.094 0.000 1.300 162 S HN 0.145 nan 8.310 nan 0.000 0.566 163 H N 0.063 119.175 119.070 0.070 0.000 2.463 163 H HA 0.371 4.927 4.556 -0.001 0.000 0.332 163 H C 0.423 175.761 175.328 0.016 0.000 1.127 163 H CA -0.716 55.375 56.048 0.072 0.000 1.238 163 H CB 0.903 30.733 29.762 0.114 0.000 1.478 163 H HN 0.602 nan 8.280 nan 0.000 0.499 164 K N 1.913 122.299 120.400 -0.024 0.000 2.211 164 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 164 K C 0.504 176.776 176.600 -0.547 0.000 1.047 164 K CA 1.036 57.154 56.287 -0.282 0.000 0.935 164 K CB 0.094 32.448 32.500 -0.243 0.000 0.728 164 K HN 0.602 nan 8.250 nan 0.000 0.452 165 H N -1.104 117.476 119.070 -0.816 0.000 2.503 165 H HA 0.229 4.785 4.556 -0.001 0.000 0.296 165 H C 0.640 175.757 175.328 -0.352 0.000 1.097 165 H CA 0.063 55.761 56.048 -0.583 0.000 1.055 165 H CB 0.988 30.386 29.762 -0.607 0.000 1.580 165 H HN 0.062 nan 8.280 nan 0.000 0.546 166 S N 0.076 115.700 115.700 -0.128 0.000 2.930 166 S HA 0.015 4.484 4.470 -0.001 0.000 0.253 166 S C 1.460 176.070 174.600 0.017 0.000 1.083 166 S CA 0.024 58.248 58.200 0.039 0.000 0.836 166 S CB 0.378 63.678 63.200 0.166 0.000 0.814 166 S HN 0.255 nan 8.310 nan 0.000 0.467 167 I N -0.358 120.202 120.570 -0.017 0.000 4.032 167 I HA 0.578 4.747 4.170 -0.001 0.000 0.313 167 I C 1.620 177.708 176.117 -0.048 0.000 1.272 167 I CA 0.364 61.651 61.300 -0.022 0.000 1.307 167 I CB -1.038 36.952 38.000 -0.017 0.000 1.155 167 I HN 0.310 nan 8.210 nan 0.000 0.431 168 G N 3.061 111.812 108.800 -0.083 0.000 2.698 168 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.337 168 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.337 168 G C 0.455 175.315 174.900 -0.067 0.000 1.286 168 G CA 1.303 46.350 45.100 -0.088 0.000 1.000 168 G HN 0.550 nan 8.290 nan 0.000 0.547 169 I N -0.196 120.346 120.570 -0.046 0.000 3.433 169 I HA 0.444 4.613 4.170 -0.001 0.000 0.265 169 I C 0.402 176.502 176.117 -0.028 0.000 1.186 169 I CA -0.370 60.910 61.300 -0.033 0.000 1.008 169 I CB 0.546 38.533 38.000 -0.022 0.000 1.552 169 I HN 0.299 nan 8.210 nan 0.000 0.790 170 V N 2.191 122.095 119.914 -0.017 0.000 2.655 170 V HA 0.199 4.319 4.120 -0.001 0.000 0.301 170 V C -0.017 176.074 176.094 -0.004 0.000 1.082 170 V CA -0.694 61.599 62.300 -0.012 0.000 0.899 170 V CB 1.447 33.267 31.823 -0.005 0.000 1.014 170 V HN 0.813 nan 8.190 nan 0.000 0.429 171 N N 3.439 122.126 118.700 -0.022 0.000 2.513 171 N HA 0.132 4.871 4.740 -0.001 0.000 0.196 171 N C 0.933 176.431 175.510 -0.020 0.000 1.041 171 N CA 0.566 53.602 53.050 -0.024 0.000 0.916 171 N CB 0.373 38.831 38.487 -0.050 0.000 1.172 171 N HN 0.632 nan 8.380 nan 0.000 0.444 172 A N 2.198 124.965 122.820 -0.089 0.000 2.666 172 A HA 0.422 4.742 4.320 -0.001 0.000 0.312 172 A C 0.591 178.258 177.584 0.139 0.000 1.471 172 A CA -0.399 51.559 52.037 -0.131 0.000 1.134 172 A CB -0.758 17.832 19.000 -0.684 0.000 1.129 172 A HN 0.475 nan 8.150 nan 0.000 0.539 173 T N -0.930 113.761 114.554 0.228 0.000 2.910 173 T HA 0.437 4.787 4.350 -0.001 0.000 0.279 173 T C 1.312 176.107 174.700 0.159 0.000 0.989 173 T CA 0.164 62.361 62.100 0.161 0.000 0.968 173 T CB 1.078 69.990 68.868 0.073 0.000 1.135 173 T HN 0.257 nan 8.240 nan 0.000 0.562 174 S N 0.421 116.125 115.700 0.008 0.000 2.368 174 S HA -0.013 4.457 4.470 -0.001 0.000 0.224 174 S C 2.512 177.025 174.600 -0.145 0.000 1.029 174 S CA 0.995 59.135 58.200 -0.099 0.000 0.988 174 S CB -1.043 62.054 63.200 -0.172 0.000 0.838 174 S HN 0.887 nan 8.310 nan 0.000 0.462 175 A N 1.555 124.266 122.820 -0.182 0.000 1.908 175 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 175 A C 2.189 179.812 177.584 0.064 0.000 1.181 175 A CA 1.324 53.282 52.037 -0.133 0.000 0.627 175 A CB -0.607 18.338 19.000 -0.091 0.000 0.818 175 A HN 0.323 nan 8.150 nan 0.000 0.445 176 Q N -0.615 119.235 119.800 0.084 0.000 2.084 176 Q HA -0.126 4.214 4.340 -0.001 0.000 0.202 176 Q C 2.443 178.452 176.000 0.016 0.000 0.978 176 Q CA 1.689 57.568 55.803 0.126 0.000 0.844 176 Q CB -0.713 28.173 28.738 0.245 0.000 0.898 176 Q HN 0.655 nan 8.270 nan 0.000 0.426 177 A N 0.441 123.156 122.820 -0.175 0.000 1.933 177 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 177 A C 2.174 179.613 177.584 -0.242 0.000 1.175 177 A CA 1.503 53.209 52.037 -0.552 0.000 0.628 177 A CB -0.501 18.030 19.000 -0.782 0.000 0.814 177 A HN 0.348 nan 8.150 nan 0.000 0.444 178 M N -0.849 118.701 119.600 -0.084 0.000 2.108 178 M HA -0.122 4.358 4.480 -0.001 0.000 0.261 178 M C 2.020 178.374 176.300 0.091 0.000 1.066 178 M CA 1.441 56.774 55.300 0.055 0.000 1.107 178 M CB -0.438 32.286 32.600 0.206 0.000 1.356 178 M HN 0.363 nan 8.290 nan 0.000 0.406 179 L N -0.808 120.462 121.223 0.078 0.000 2.209 179 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 179 L C 2.463 179.294 176.870 -0.065 0.000 1.094 179 L CA 0.889 55.720 54.840 -0.014 0.000 0.790 179 L CB -0.372 41.648 42.059 -0.064 0.000 0.932 179 L HN 0.338 nan 8.230 nan 0.000 0.447 180 Q N -0.298 119.463 119.800 -0.064 0.000 2.245 180 Q HA -0.122 4.218 4.340 -0.001 0.000 0.201 180 Q C 0.210 176.193 176.000 -0.029 0.000 0.955 180 Q CA 0.411 56.191 55.803 -0.038 0.000 0.870 180 Q CB 0.032 28.777 28.738 0.013 0.000 0.945 180 Q HN 0.366 nan 8.270 nan 0.000 0.461 181 N N 0.224 118.887 118.700 -0.062 0.000 2.681 181 N HA -0.149 4.590 4.740 -0.001 0.000 0.259 181 N C -0.692 174.796 175.510 -0.037 0.000 1.066 181 N CA 0.537 53.558 53.050 -0.047 0.000 0.717 181 N CB -0.998 37.480 38.487 -0.015 0.000 0.885 181 N HN 0.199 nan 8.380 nan 0.000 0.547 182 V N -1.208 118.665 119.914 -0.068 0.000 3.369 182 V HA 0.801 4.920 4.120 -0.001 0.000 0.309 182 V C 1.138 177.226 176.094 -0.010 0.000 1.069 182 V CA -0.086 62.206 62.300 -0.014 0.000 1.042 182 V CB 1.241 33.086 31.823 0.037 0.000 1.192 182 V HN 0.593 nan 8.190 nan 0.000 0.447 183 S N 0.423 116.139 115.700 0.026 0.000 2.600 183 S HA 0.252 4.722 4.470 -0.001 0.000 0.265 183 S C 1.110 175.730 174.600 0.033 0.000 1.325 183 S CA 0.333 58.549 58.200 0.027 0.000 1.002 183 S CB 0.730 63.952 63.200 0.037 0.000 0.921 183 S HN 1.091 nan 8.310 nan 0.000 0.554 184 R N 0.659 121.178 120.500 0.032 0.000 2.081 184 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 184 R C 1.528 177.864 176.300 0.060 0.000 1.131 184 R CA 1.930 58.055 56.100 0.042 0.000 0.960 184 R CB -0.569 29.753 30.300 0.036 0.000 0.856 184 R HN 0.754 nan 8.270 nan 0.000 0.436 185 E N 0.519 120.752 120.200 0.054 0.000 2.110 185 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 185 E C 1.735 178.387 176.600 0.086 0.000 0.988 185 E CA 1.592 58.027 56.400 0.059 0.000 0.804 185 E CB -0.051 29.676 29.700 0.045 0.000 0.745 185 E HN 0.547 nan 8.360 nan 0.000 0.458 186 E N 0.036 120.299 120.200 0.105 0.000 2.112 186 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 186 E C 1.845 178.609 176.600 0.273 0.000 0.979 186 E CA 0.429 56.931 56.400 0.169 0.000 0.814 186 E CB 0.018 29.827 29.700 0.183 0.000 0.762 186 E HN 0.180 nan 8.360 nan 0.000 0.460 187 L N 0.573 121.914 121.223 0.197 0.000 2.046 187 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 187 L C 2.469 179.476 176.870 0.229 0.000 1.077 187 L CA 0.978 55.941 54.840 0.206 0.000 0.747 187 L CB -0.375 41.715 42.059 0.052 0.000 0.896 187 L HN 0.270 nan 8.230 nan 0.000 0.432 188 L N -0.723 120.597 121.223 0.161 0.000 2.083 188 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 188 L C 2.414 179.355 176.870 0.120 0.000 1.083 188 L CA 1.379 56.303 54.840 0.140 0.000 0.752 188 L CB -0.424 41.694 42.059 0.098 0.000 0.899 188 L HN 0.316 nan 8.230 nan 0.000 0.433 189 E N -0.654 119.611 120.200 0.107 0.000 2.102 189 E HA -0.104 4.246 4.350 -0.001 0.000 0.190 189 E C 1.985 178.610 176.600 0.041 0.000 0.971 189 E CA 0.613 57.053 56.400 0.066 0.000 0.821 189 E CB 0.243 29.972 29.700 0.050 0.000 0.777 189 E HN 0.384 nan 8.360 nan 0.000 0.460 190 E N -0.391 119.839 120.200 0.050 0.000 2.307 190 E HA 0.035 4.385 4.350 -0.001 0.000 0.195 190 E C 1.335 177.788 176.600 -0.246 0.000 0.975 190 E CA 0.501 56.827 56.400 -0.124 0.000 0.878 190 E CB 0.239 29.796 29.700 -0.238 0.000 0.845 190 E HN 0.239 nan 8.360 nan 0.000 0.488 191 F N 0.314 120.276 119.950 0.019 0.000 2.717 191 F HA 0.300 4.826 4.527 -0.001 0.000 0.297 191 F C 1.124 176.933 175.800 0.014 0.000 1.113 191 F CA -0.022 57.986 58.000 0.012 0.000 1.319 191 F CB 0.788 39.792 39.000 0.007 0.000 1.097 191 F HN -0.210 nan 8.300 nan 0.000 0.595 192 I N 0.747 121.434 120.570 0.195 0.000 2.359 192 I HA 0.355 4.525 4.170 -0.001 0.000 0.294 192 I C -0.613 175.561 176.117 0.096 0.000 0.987 192 I CA -0.759 60.622 61.300 0.136 0.000 1.225 192 I CB 1.637 39.733 38.000 0.162 0.000 1.366 192 I HN -0.382 nan 8.210 nan 0.000 0.466 193 V N 7.585 127.546 119.914 0.078 0.000 2.769 193 V HA 0.503 4.622 4.120 -0.001 0.000 0.312 193 V C -2.248 173.892 176.094 0.076 0.000 1.061 193 V CA -1.647 60.692 62.300 0.064 0.000 0.931 193 V CB 2.381 34.232 31.823 0.047 0.000 1.010 193 V HN 0.592 nan 8.190 nan 0.000 0.433 194 P HA 0.314 nan 4.420 nan 0.000 0.284 194 P C -0.653 176.700 177.300 0.089 0.000 1.258 194 P CA -0.214 62.935 63.100 0.082 0.000 0.824 194 P CB 1.683 33.423 31.700 0.067 0.000 1.038 195 S N 0.543 116.303 115.700 0.101 0.000 2.719 195 S HA 0.212 4.681 4.470 -0.001 0.000 0.285 195 S C 1.355 176.009 174.600 0.089 0.000 1.137 195 S CA -0.570 57.712 58.200 0.137 0.000 1.012 195 S CB -0.003 63.341 63.200 0.240 0.000 1.134 195 S HN 0.148 nan 8.310 nan 0.000 0.544 196 V N 0.251 120.230 119.914 0.107 0.000 2.594 196 V HA 0.009 4.128 4.120 -0.001 0.000 0.253 196 V C 0.691 176.674 176.094 -0.185 0.000 1.069 196 V CA 0.894 63.220 62.300 0.044 0.000 1.082 196 V CB -0.643 31.260 31.823 0.134 0.000 0.680 196 V HN 0.622 nan 8.190 nan 0.000 0.469 197 V N 2.402 122.067 119.914 -0.415 0.000 2.333 197 V HA 0.307 4.427 4.120 -0.001 0.000 0.274 197 V C -2.367 173.494 176.094 -0.387 0.000 1.028 197 V CA -1.978 59.837 62.300 -0.808 0.000 0.851 197 V CB 1.042 32.173 31.823 -1.155 0.000 1.000 197 V HN 0.295 nan 8.190 nan 0.000 0.456 198 P HA 0.265 nan 4.420 nan 0.000 0.265 198 P C 1.009 178.268 177.300 -0.067 0.000 1.193 198 P CA 1.153 64.192 63.100 -0.102 0.000 0.765 198 P CB 0.718 32.390 31.700 -0.046 0.000 0.823 199 G N 1.073 109.881 108.800 0.013 0.000 2.259 199 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.217 199 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.217 199 G C -0.249 174.723 174.900 0.119 0.000 1.001 199 G CA -0.202 44.933 45.100 0.060 0.000 0.627 199 G HN 0.537 nan 8.290 nan 0.000 0.501 200 V N 2.433 122.405 119.914 0.096 0.000 2.448 200 V HA 0.676 4.795 4.120 -0.001 0.000 0.295 200 V C -0.871 175.304 176.094 0.136 0.000 1.025 200 V CA -0.816 61.570 62.300 0.144 0.000 0.859 200 V CB 1.760 33.703 31.823 0.201 0.000 0.988 200 V HN 0.298 nan 8.190 nan 0.000 0.431 201 D N 2.427 122.900 120.400 0.122 0.000 2.497 201 D HA 0.700 5.339 4.640 -0.001 0.000 0.243 201 D C -1.024 175.289 176.300 0.022 0.000 1.039 201 D CA -0.406 53.650 54.000 0.092 0.000 1.052 201 D CB 2.897 43.785 40.800 0.145 0.000 1.344 201 D HN 0.362 nan 8.370 nan 0.000 0.553 202 V N 0.630 120.561 119.914 0.028 0.000 2.760 202 V HA 0.434 4.553 4.120 -0.001 0.000 0.309 202 V C -1.321 174.779 176.094 0.010 0.000 1.077 202 V CA -0.726 61.575 62.300 0.002 0.000 0.910 202 V CB 1.961 33.797 31.823 0.022 0.000 1.008 202 V HN 0.513 nan 8.190 nan 0.000 0.424 203 M N 10.403 129.995 119.600 -0.014 0.000 2.069 203 M HA 0.521 5.001 4.480 -0.001 0.000 0.349 203 M C -2.461 173.843 176.300 0.006 0.000 1.194 203 M CA -1.898 53.412 55.300 0.016 0.000 1.081 203 M CB 1.642 34.234 32.600 -0.012 0.000 1.500 203 M HN 0.510 nan 8.290 nan 0.000 0.438 204 P HA 0.228 nan 4.420 nan 0.000 0.271 204 P C -1.380 175.920 177.300 0.000 0.000 1.233 204 P CA -0.153 62.954 63.100 0.011 0.000 0.789 204 P CB 0.811 32.519 31.700 0.015 0.000 0.951 205 A N 0.537 123.352 122.820 -0.008 0.000 2.435 205 A HA 0.721 5.041 4.320 -0.001 0.000 0.296 205 A C -0.457 177.134 177.584 0.012 0.000 1.147 205 A CA -0.526 51.505 52.037 -0.010 0.000 0.775 205 A CB 1.475 20.462 19.000 -0.020 0.000 1.340 205 A HN 0.588 nan 8.150 nan 0.000 0.427 206 S N -0.644 115.079 115.700 0.037 0.000 2.596 206 S HA 0.435 4.905 4.470 -0.001 0.000 0.270 206 S C 0.514 175.169 174.600 0.091 0.000 1.155 206 S CA -0.453 57.779 58.200 0.053 0.000 0.827 206 S CB 1.180 64.413 63.200 0.054 0.000 1.130 206 S HN 0.913 nan 8.310 nan 0.000 0.467 207 I N 1.809 122.438 120.570 0.097 0.000 2.493 207 I HA -0.057 4.113 4.170 -0.001 0.000 0.254 207 I C 1.091 177.339 176.117 0.219 0.000 1.160 207 I CA 1.652 63.030 61.300 0.130 0.000 1.445 207 I CB -0.857 37.213 38.000 0.117 0.000 1.086 207 I HN 0.698 nan 8.210 nan 0.000 0.433 208 D N 0.982 121.521 120.400 0.233 0.000 2.309 208 D HA -0.157 4.483 4.640 -0.001 0.000 0.212 208 D C 1.351 177.869 176.300 0.363 0.000 0.968 208 D CA 0.788 54.986 54.000 0.330 0.000 0.882 208 D CB -0.126 40.765 40.800 0.151 0.000 0.918 208 D HN 0.394 nan 8.370 nan 0.000 0.503 209 D N -0.031 120.529 120.400 0.266 0.000 2.363 209 D HA -0.001 4.638 4.640 -0.001 0.000 0.220 209 D C 1.775 178.275 176.300 0.333 0.000 0.994 209 D CA 0.184 54.367 54.000 0.306 0.000 0.890 209 D CB 0.155 41.091 40.800 0.227 0.000 0.906 209 D HN 0.141 nan 8.370 nan 0.000 0.530 210 A N -0.307 122.630 122.820 0.195 0.000 2.016 210 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 210 A C 1.702 179.207 177.584 -0.132 0.000 1.162 210 A CA 0.400 52.415 52.037 -0.036 0.000 0.662 210 A CB -0.519 18.364 19.000 -0.194 0.000 0.812 210 A HN 0.111 nan 8.150 nan 0.000 0.450 211 F N -0.206 119.781 119.950 0.061 0.000 2.293 211 F HA 0.068 4.595 4.527 0.001 0.000 0.297 211 F C 1.998 177.852 175.800 0.089 0.000 1.089 211 F CA 0.799 58.832 58.000 0.055 0.000 1.377 211 F CB -0.236 38.799 39.000 0.058 0.000 1.051 211 F HN 0.105 nan 8.300 nan 0.000 0.511 212 I N -0.176 120.593 120.570 0.332 0.000 2.252 212 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 212 I C 2.633 178.906 176.117 0.260 0.000 1.102 212 I CA 1.129 62.642 61.300 0.355 0.000 1.385 212 I CB -0.631 37.644 38.000 0.458 0.000 1.064 212 I HN 0.093 nan 8.210 nan 0.000 0.414 213 A N -0.275 122.514 122.820 -0.050 0.000 1.933 213 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 213 A C 2.479 179.942 177.584 -0.201 0.000 1.175 213 A CA 2.105 53.812 52.037 -0.551 0.000 0.628 213 A CB -0.794 17.610 19.000 -0.993 0.000 0.814 213 A HN 0.388 nan 8.150 nan 0.000 0.444 214 S N -0.136 115.501 115.700 -0.104 0.000 2.370 214 S HA -0.178 4.291 4.470 -0.001 0.000 0.226 214 S C 0.603 175.227 174.600 0.041 0.000 1.033 214 S CA 1.797 59.963 58.200 -0.056 0.000 1.011 214 S CB -0.398 62.761 63.200 -0.069 0.000 0.852 214 S HN 0.583 nan 8.310 nan 0.000 0.457 215 D N -0.012 120.458 120.400 0.118 0.000 2.755 215 D HA 0.191 4.831 4.640 -0.001 0.000 0.257 215 D C 0.614 177.030 176.300 0.194 0.000 1.291 215 D CA -0.348 53.733 54.000 0.135 0.000 0.836 215 D CB -0.184 40.692 40.800 0.128 0.000 1.059 215 D HN 0.450 nan 8.370 nan 0.000 0.486 216 W N 1.130 122.420 121.300 -0.017 0.000 2.317 216 W HA -0.300 4.360 4.660 -0.000 0.000 0.318 216 W C 1.584 178.111 176.519 0.013 0.000 1.227 216 W CA 1.109 58.454 57.345 -0.000 0.000 1.269 216 W CB 0.107 29.545 29.460 -0.038 0.000 1.155 216 W HN 0.066 nan 8.180 nan 0.000 0.484 217 R N 0.317 120.846 120.500 0.049 0.000 2.080 217 R HA -0.223 4.117 4.340 -0.001 0.000 0.236 217 R C 2.036 178.265 176.300 -0.119 0.000 1.137 217 R CA 2.583 58.635 56.100 -0.081 0.000 0.943 217 R CB -0.830 29.467 30.300 -0.006 0.000 0.846 217 R HN 0.143 nan 8.270 nan 0.000 0.431 218 E N 0.118 120.287 120.200 -0.051 0.000 2.110 218 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 218 E C 1.899 178.457 176.600 -0.070 0.000 0.988 218 E CA 1.056 57.427 56.400 -0.049 0.000 0.804 218 E CB -0.230 29.466 29.700 -0.007 0.000 0.745 218 E HN 0.272 nan 8.360 nan 0.000 0.458 219 L N -0.161 121.026 121.223 -0.060 0.000 2.093 219 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 219 L C 2.145 178.938 176.870 -0.128 0.000 1.085 219 L CA 0.661 55.496 54.840 -0.009 0.000 0.755 219 L CB -0.269 41.814 42.059 0.040 0.000 0.904 219 L HN 0.279 nan 8.230 nan 0.000 0.435 220 C N -0.452 118.617 119.300 -0.386 0.000 2.450 220 C HA -0.090 4.370 4.460 -0.001 0.000 0.279 220 C C 2.533 177.385 174.990 -0.230 0.000 1.335 220 C CA 0.779 59.535 59.018 -0.436 0.000 1.749 220 C CB -1.138 26.198 27.740 -0.674 0.000 1.963 220 C HN 0.546 nan 8.230 nan 0.000 0.501 221 N N 0.427 119.014 118.700 -0.189 0.000 2.142 221 N HA -0.134 4.606 4.740 -0.001 0.000 0.186 221 N C 1.945 177.373 175.510 -0.137 0.000 1.023 221 N CA 1.013 53.981 53.050 -0.136 0.000 0.852 221 N CB -0.133 38.288 38.487 -0.109 0.000 0.998 221 N HN 0.539 nan 8.380 nan 0.000 0.424 222 E N -0.914 119.184 120.200 -0.170 0.000 2.230 222 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 222 E C 0.754 177.130 176.600 -0.374 0.000 0.987 222 E CA 0.920 57.156 56.400 -0.273 0.000 0.841 222 E CB 0.187 29.674 29.700 -0.356 0.000 0.783 222 E HN 0.586 nan 8.360 nan 0.000 0.481 223 H N -1.340 117.671 119.070 -0.098 0.000 2.681 223 H HA 0.270 4.826 4.556 -0.001 0.000 0.268 223 H C 0.352 175.627 175.328 -0.088 0.000 0.967 223 H CA 0.265 56.264 56.048 -0.081 0.000 1.233 223 H CB 0.896 30.612 29.762 -0.077 0.000 1.445 223 H HN -0.050 nan 8.280 nan 0.000 0.494 224 L N 2.611 123.821 121.223 -0.022 0.000 2.913 224 L HA 0.294 4.633 4.340 -0.001 0.000 0.283 224 L C -2.529 174.298 176.870 -0.072 0.000 1.336 224 L CA -1.555 53.255 54.840 -0.050 0.000 0.815 224 L CB 0.786 42.796 42.059 -0.082 0.000 1.188 224 L HN -0.044 nan 8.230 nan 0.000 0.551 225 P HA 0.012 nan 4.420 nan 0.000 0.261 225 P C 0.982 178.252 177.300 -0.050 0.000 1.183 225 P CA 1.412 64.474 63.100 -0.064 0.000 0.761 225 P CB 1.334 32.999 31.700 -0.058 0.000 0.785 226 G N 2.057 110.826 108.800 -0.051 0.000 2.241 226 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 226 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 226 G C 0.173 175.051 174.900 -0.035 0.000 0.998 226 G CA 0.186 45.263 45.100 -0.038 0.000 0.621 226 G HN 0.732 nan 8.290 nan 0.000 0.519 227 Q N 0.971 120.745 119.800 -0.043 0.000 2.261 227 Q HA 0.413 4.753 4.340 -0.001 0.000 0.252 227 Q C 0.343 176.318 176.000 -0.041 0.000 0.915 227 Q CA -0.691 55.092 55.803 -0.032 0.000 0.915 227 Q CB 0.408 29.130 28.738 -0.028 0.000 1.204 227 Q HN 0.307 nan 8.270 nan 0.000 0.421 228 N N 4.497 123.185 118.700 -0.019 0.000 2.434 228 N HA -0.064 4.675 4.740 -0.001 0.000 0.268 228 N C 1.107 176.604 175.510 -0.022 0.000 1.256 228 N CA 0.127 53.160 53.050 -0.028 0.000 0.914 228 N CB 0.476 38.970 38.487 0.011 0.000 1.088 228 N HN 0.793 nan 8.380 nan 0.000 0.478 229 I N 1.698 122.208 120.570 -0.100 0.000 2.623 229 I HA -0.219 3.950 4.170 -0.001 0.000 0.261 229 I C 0.629 176.868 176.117 0.204 0.000 1.204 229 I CA 1.262 62.560 61.300 -0.004 0.000 1.444 229 I CB -0.312 37.638 38.000 -0.084 0.000 1.094 229 I HN 0.431 nan 8.210 nan 0.000 0.451 230 H N 1.232 120.428 119.070 0.210 0.000 2.592 230 H HA 0.407 4.963 4.556 -0.000 0.000 0.265 230 H C 2.010 177.408 175.328 0.117 0.000 0.955 230 H CA 0.703 56.848 56.048 0.161 0.000 1.175 230 H CB 0.459 30.279 29.762 0.097 0.000 1.433 230 H HN 0.511 nan 8.280 nan 0.000 0.537 231 A N 0.718 123.659 122.820 0.202 0.000 2.387 231 A HA 0.215 4.534 4.320 -0.001 0.000 0.234 231 A C 2.105 179.758 177.584 0.116 0.000 1.253 231 A CA -0.020 52.094 52.037 0.127 0.000 0.894 231 A CB -0.146 18.907 19.000 0.088 0.000 0.963 231 A HN 0.105 nan 8.150 nan 0.000 0.508 232 V N 0.085 120.108 119.914 0.180 0.000 2.343 232 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 232 V C 2.412 178.579 176.094 0.121 0.000 1.051 232 V CA 1.963 64.373 62.300 0.184 0.000 1.036 232 V CB -0.641 31.408 31.823 0.376 0.000 0.654 232 V HN 0.695 nan 8.190 nan 0.000 0.451 233 L N 0.226 121.508 121.223 0.099 0.000 2.056 233 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 233 L C 2.549 179.414 176.870 -0.009 0.000 1.078 233 L CA 2.290 57.136 54.840 0.010 0.000 0.749 233 L CB -0.520 41.512 42.059 -0.045 0.000 0.901 233 L HN 0.405 nan 8.230 nan 0.000 0.433 234 K N 0.147 120.552 120.400 0.007 0.000 2.025 234 K HA -0.211 4.108 4.320 -0.001 0.000 0.207 234 K C 1.755 178.360 176.600 0.007 0.000 1.049 234 K CA 1.859 58.146 56.287 0.000 0.000 0.933 234 K CB -0.023 32.483 32.500 0.010 0.000 0.714 234 K HN 0.429 nan 8.250 nan 0.000 0.438 235 E N -0.096 120.116 120.200 0.020 0.000 2.170 235 E HA -0.052 4.297 4.350 -0.001 0.000 0.191 235 E C 1.455 178.059 176.600 0.007 0.000 0.981 235 E CA 0.939 57.349 56.400 0.016 0.000 0.830 235 E CB 0.062 29.776 29.700 0.023 0.000 0.775 235 E HN 0.474 nan 8.360 nan 0.000 0.470 236 N N -0.189 118.514 118.700 0.005 0.000 2.373 236 N HA 0.005 4.745 4.740 -0.001 0.000 0.181 236 N C 1.043 176.526 175.510 -0.045 0.000 1.082 236 N CA 0.098 53.139 53.050 -0.016 0.000 0.885 236 N CB 1.006 39.488 38.487 -0.009 0.000 0.977 236 N HN -0.068 nan 8.380 nan 0.000 0.462 237 V N -0.061 119.828 119.914 -0.041 0.000 3.442 237 V HA 0.084 4.204 4.120 -0.001 0.000 0.205 237 V C 1.715 177.792 176.094 -0.029 0.000 1.320 237 V CA -0.047 62.216 62.300 -0.061 0.000 1.306 237 V CB -0.049 31.718 31.823 -0.094 0.000 1.267 237 V HN -0.025 nan 8.190 nan 0.000 0.538 238 I N 1.228 121.782 120.570 -0.027 0.000 2.127 238 I HA -0.249 3.921 4.170 -0.001 0.000 0.241 238 I C 2.148 178.274 176.117 0.016 0.000 1.075 238 I CA 1.981 63.276 61.300 -0.008 0.000 1.334 238 I CB -0.333 37.654 38.000 -0.022 0.000 1.040 238 I HN 0.345 nan 8.210 nan 0.000 0.405 239 D N 0.845 121.251 120.400 0.010 0.000 2.271 239 D HA -0.183 4.457 4.640 -0.001 0.000 0.207 239 D C 1.952 178.267 176.300 0.025 0.000 0.983 239 D CA 1.158 55.169 54.000 0.018 0.000 0.878 239 D CB -0.194 40.614 40.800 0.014 0.000 0.920 239 D HN 0.421 nan 8.370 nan 0.000 0.479 240 K N -0.282 120.131 120.400 0.022 0.000 2.459 240 K HA 0.136 4.455 4.320 -0.001 0.000 0.193 240 K C 1.446 178.076 176.600 0.049 0.000 1.030 240 K CA 0.195 56.498 56.287 0.027 0.000 1.026 240 K CB 0.599 33.107 32.500 0.014 0.000 0.809 240 K HN 0.168 nan 8.250 nan 0.000 0.504 241 L N -0.181 121.085 121.223 0.073 0.000 2.766 241 L HA 0.153 4.493 4.340 -0.001 0.000 0.242 241 L C 1.584 178.542 176.870 0.147 0.000 1.136 241 L CA -0.175 54.745 54.840 0.135 0.000 0.933 241 L CB 0.272 42.453 42.059 0.202 0.000 1.241 241 L HN -0.121 nan 8.230 nan 0.000 0.522 242 K N 0.678 121.134 120.400 0.094 0.000 2.189 242 K HA -0.168 4.152 4.320 -0.001 0.000 0.207 242 K C 1.979 178.624 176.600 0.074 0.000 1.046 242 K CA 1.622 57.959 56.287 0.083 0.000 0.928 242 K CB -0.104 32.429 32.500 0.055 0.000 0.720 242 K HN 0.073 nan 8.250 nan 0.000 0.458 243 S N 0.048 115.778 115.700 0.049 0.000 2.524 243 S HA 0.044 4.513 4.470 -0.001 0.000 0.216 243 S C 0.544 175.129 174.600 -0.025 0.000 0.987 243 S CA 0.304 58.515 58.200 0.018 0.000 0.909 243 S CB 0.170 63.375 63.200 0.007 0.000 0.781 243 S HN 0.324 nan 8.310 nan 0.000 0.521 244 D N -0.249 120.125 120.400 -0.043 0.000 2.354 244 D HA 0.132 4.771 4.640 -0.001 0.000 0.209 244 D C -0.598 175.352 176.300 -0.583 0.000 1.015 244 D CA 0.677 54.519 54.000 -0.263 0.000 0.867 244 D CB 0.449 41.110 40.800 -0.232 0.000 0.933 244 D HN 0.332 nan 8.370 nan 0.000 0.520 245 Y N 0.141 120.467 120.300 0.043 0.000 2.553 245 Y HA 0.173 4.723 4.550 -0.001 0.000 0.347 245 Y C 0.861 176.778 175.900 0.029 0.000 1.019 245 Y CA -1.013 57.116 58.100 0.048 0.000 1.032 245 Y CB 1.773 40.268 38.460 0.058 0.000 1.284 245 Y HN -0.341 nan 8.280 nan 0.000 0.466 246 D N 1.009 121.505 120.400 0.160 0.000 2.201 246 D HA 0.039 4.679 4.640 -0.001 0.000 0.209 246 D C -0.410 175.700 176.300 -0.317 0.000 0.961 246 D CA 1.428 55.398 54.000 -0.049 0.000 0.861 246 D CB 0.421 41.173 40.800 -0.080 0.000 0.997 246 D HN 0.240 nan 8.370 nan 0.000 0.486 247 F N 0.090 120.138 119.950 0.162 0.000 2.551 247 F HA 0.483 5.010 4.527 -0.001 0.000 0.316 247 F C -0.161 175.683 175.800 0.073 0.000 1.089 247 F CA -0.912 57.156 58.000 0.113 0.000 0.915 247 F CB 2.392 41.414 39.000 0.036 0.000 1.186 247 F HN -0.373 nan 8.300 nan 0.000 0.456 248 I N 4.642 125.358 120.570 0.244 0.000 2.439 248 I HA 0.345 4.515 4.170 -0.001 0.000 0.285 248 I C -1.106 175.050 176.117 0.065 0.000 1.021 248 I CA -0.499 60.839 61.300 0.063 0.000 1.091 248 I CB 1.627 39.630 38.000 0.005 0.000 1.242 248 I HN 0.339 nan 8.210 nan 0.000 0.439 249 L N 6.628 127.864 121.223 0.022 0.000 2.309 249 L HA 0.628 4.968 4.340 -0.001 0.000 0.282 249 L C -0.507 176.374 176.870 0.019 0.000 1.036 249 L CA -1.018 53.847 54.840 0.040 0.000 0.806 249 L CB 1.974 44.042 42.059 0.017 0.000 1.220 249 L HN 0.245 nan 8.230 nan 0.000 0.429 250 V N 1.225 121.183 119.914 0.072 0.000 2.417 250 V HA 0.344 4.464 4.120 -0.001 0.000 0.291 250 V C -0.723 175.470 176.094 0.166 0.000 1.024 250 V CA -0.513 61.793 62.300 0.010 0.000 0.861 250 V CB 2.012 33.717 31.823 -0.198 0.000 0.985 250 V HN 0.648 nan 8.190 nan 0.000 0.436 251 D N 2.612 123.064 120.400 0.087 0.000 2.391 251 D HA 0.607 5.247 4.640 -0.001 0.000 0.245 251 D C -0.607 175.763 176.300 0.118 0.000 1.069 251 D CA 0.128 54.213 54.000 0.141 0.000 0.831 251 D CB 2.147 42.986 40.800 0.065 0.000 1.204 251 D HN 0.568 nan 8.370 nan 0.000 0.503 252 S N 1.937 117.763 115.700 0.211 0.000 2.634 252 S HA 0.834 5.304 4.470 -0.001 0.000 0.296 252 S C 0.162 174.837 174.600 0.125 0.000 1.104 252 S CA -0.517 57.788 58.200 0.174 0.000 0.920 252 S CB 1.234 64.586 63.200 0.252 0.000 1.111 252 S HN 0.457 nan 8.310 nan 0.000 0.493 253 G N 1.343 110.218 108.800 0.124 0.000 2.599 253 G HA2 0.481 4.441 3.960 -0.001 0.000 0.264 253 G HA3 0.481 4.441 3.960 -0.001 0.000 0.264 253 G C -2.621 172.179 174.900 -0.167 0.000 1.200 253 G CA -1.502 43.600 45.100 0.004 0.000 0.896 253 G HN 0.567 nan 8.290 nan 0.000 0.536 254 P HA 0.152 nan 4.420 nan 0.000 0.228 254 P C -0.737 176.270 177.300 -0.487 0.000 1.748 254 P CA 0.268 63.130 63.100 -0.398 0.000 0.909 254 P CB -0.311 31.187 31.700 -0.337 0.000 1.882 255 H N 0.481 119.558 119.070 0.013 0.000 2.637 255 H HA 0.224 4.780 4.556 -0.000 0.000 0.363 255 H C -0.129 175.208 175.328 0.014 0.000 1.131 255 H CA -0.916 55.132 56.048 0.001 0.000 1.183 255 H CB 2.081 31.829 29.762 -0.023 0.000 1.637 255 H HN -0.015 nan 8.280 nan 0.000 0.531 256 L N 4.475 125.777 121.223 0.132 0.000 2.583 256 L HA 0.091 4.431 4.340 -0.001 0.000 0.239 256 L C -0.189 176.706 176.870 0.042 0.000 1.347 256 L CA 0.197 55.088 54.840 0.085 0.000 1.246 256 L CB -1.795 40.305 42.059 0.069 0.000 1.496 256 L HN 0.748 nan 8.230 nan 0.000 0.413 257 D N -0.237 120.173 120.400 0.016 0.000 2.668 257 D HA 0.316 4.956 4.640 -0.001 0.000 0.249 257 D C 1.018 177.243 176.300 -0.125 0.000 1.150 257 D CA 0.007 53.956 54.000 -0.084 0.000 1.090 257 D CB 0.479 41.158 40.800 -0.202 0.000 1.244 257 D HN -0.017 nan 8.370 nan 0.000 0.636 258 A N -0.600 122.045 122.820 -0.291 0.000 1.902 258 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 258 A C 2.227 179.655 177.584 -0.261 0.000 1.181 258 A CA 1.124 52.938 52.037 -0.372 0.000 0.623 258 A CB -1.261 17.154 19.000 -0.975 0.000 0.818 258 A HN 0.540 nan 8.150 nan 0.000 0.443 259 F N -0.767 118.967 119.950 -0.360 0.000 2.095 259 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 259 F C 2.338 178.028 175.800 -0.182 0.000 1.104 259 F CA 0.596 58.422 58.000 -0.290 0.000 1.232 259 F CB -0.189 38.688 39.000 -0.205 0.000 0.987 259 F HN 0.195 nan 8.300 nan 0.000 0.475 260 L N 1.214 122.501 121.223 0.107 0.000 2.046 260 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 260 L C 2.044 178.943 176.870 0.049 0.000 1.077 260 L CA 2.023 56.935 54.840 0.121 0.000 0.747 260 L CB -0.890 41.266 42.059 0.162 0.000 0.896 260 L HN 0.131 nan 8.230 nan 0.000 0.432 261 K N -0.597 119.804 120.400 0.002 0.000 2.097 261 K HA -0.111 4.209 4.320 -0.001 0.000 0.205 261 K C 1.885 178.460 176.600 -0.043 0.000 1.050 261 K CA 1.252 57.508 56.287 -0.051 0.000 0.938 261 K CB -0.070 32.349 32.500 -0.135 0.000 0.718 261 K HN 0.439 nan 8.250 nan 0.000 0.442 262 N N 0.713 119.402 118.700 -0.018 0.000 2.188 262 N HA -0.114 4.625 4.740 -0.001 0.000 0.184 262 N C 1.837 177.270 175.510 -0.129 0.000 1.018 262 N CA 1.052 54.094 53.050 -0.014 0.000 0.858 262 N CB -0.011 38.475 38.487 -0.002 0.000 0.989 262 N HN 0.155 nan 8.380 nan 0.000 0.426 263 A N 1.782 124.440 122.820 -0.269 0.000 1.883 263 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 263 A C 2.341 179.646 177.584 -0.464 0.000 1.186 263 A CA 0.965 52.656 52.037 -0.577 0.000 0.624 263 A CB -0.813 17.447 19.000 -1.235 0.000 0.822 263 A HN 0.187 nan 8.150 nan 0.000 0.444 264 L N -0.874 120.215 121.223 -0.225 0.000 2.046 264 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 264 L C 3.019 179.889 176.870 -0.001 0.000 1.077 264 L CA 1.128 55.990 54.840 0.036 0.000 0.747 264 L CB -0.408 41.720 42.059 0.116 0.000 0.896 264 L HN 0.460 nan 8.230 nan 0.000 0.432 265 A N -0.783 122.020 122.820 -0.028 0.000 2.067 265 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 265 A C 2.360 179.934 177.584 -0.017 0.000 1.158 265 A CA 1.633 53.667 52.037 -0.006 0.000 0.661 265 A CB -0.384 18.632 19.000 0.027 0.000 0.801 265 A HN 0.534 nan 8.150 nan 0.000 0.452 266 S N -0.947 114.721 115.700 -0.053 0.000 2.517 266 S HA 0.541 5.010 4.470 -0.001 0.000 0.214 266 S C 0.937 175.498 174.600 -0.066 0.000 0.991 266 S CA 0.401 58.566 58.200 -0.059 0.000 0.906 266 S CB -0.410 62.739 63.200 -0.084 0.000 0.789 266 S HN 0.790 nan 8.310 nan 0.000 0.513 267 A N 1.655 124.446 122.820 -0.049 0.000 2.445 267 A HA 0.492 4.812 4.320 -0.001 0.000 0.242 267 A C 0.683 178.224 177.584 -0.070 0.000 1.075 267 A CA -0.288 51.738 52.037 -0.019 0.000 0.777 267 A CB -0.064 19.008 19.000 0.119 0.000 1.013 267 A HN 0.519 nan 8.150 nan 0.000 0.493 268 N N -0.220 118.370 118.700 -0.184 0.000 2.415 268 N HA 0.327 5.067 4.740 -0.001 0.000 0.174 268 N C 0.023 175.415 175.510 -0.197 0.000 1.048 268 N CA 0.476 53.330 53.050 -0.327 0.000 0.895 268 N CB 0.409 38.329 38.487 -0.944 0.000 1.036 268 N HN 0.714 nan 8.380 nan 0.000 0.449 269 I N -0.008 120.502 120.570 -0.100 0.000 2.984 269 I HA 0.328 4.497 4.170 -0.001 0.000 0.303 269 I C -1.969 174.190 176.117 0.071 0.000 1.381 269 I CA -0.786 60.519 61.300 0.008 0.000 0.988 269 I CB 1.783 39.850 38.000 0.112 0.000 1.307 269 I HN -0.230 nan 8.210 nan 0.000 0.460 270 L N 5.004 126.206 121.223 -0.035 0.000 2.381 270 L HA 0.556 4.895 4.340 -0.001 0.000 0.268 270 L C -1.551 175.200 176.870 -0.200 0.000 0.997 270 L CA -0.555 54.292 54.840 0.013 0.000 0.818 270 L CB 2.087 44.166 42.059 0.034 0.000 1.310 270 L HN 0.384 nan 8.230 nan 0.000 0.416 271 F N 0.014 120.002 119.950 0.064 0.000 2.507 271 F HA 0.466 4.993 4.527 -0.001 0.000 0.325 271 F C 0.168 176.017 175.800 0.081 0.000 1.116 271 F CA -0.502 57.581 58.000 0.139 0.000 0.930 271 F CB 2.414 41.553 39.000 0.232 0.000 1.146 271 F HN 0.224 nan 8.300 nan 0.000 0.447 272 T N 5.382 120.012 114.554 0.127 0.000 2.788 272 T HA 0.343 4.692 4.350 -0.001 0.000 0.296 272 T C -2.771 171.659 174.700 -0.449 0.000 1.009 272 T CA -1.538 60.516 62.100 -0.077 0.000 0.949 272 T CB 1.223 70.118 68.868 0.044 0.000 0.946 272 T HN 0.167 nan 8.240 nan 0.000 0.453 273 P HA 0.337 nan 4.420 nan 0.000 0.281 273 P C -0.977 175.972 177.300 -0.585 0.000 1.252 273 P CA -0.496 61.910 63.100 -1.156 0.000 0.778 273 P CB 0.833 32.065 31.700 -0.779 0.000 0.895 274 L N 6.102 127.021 121.223 -0.506 0.000 2.294 274 L HA 0.441 4.781 4.340 -0.001 0.000 0.283 274 L C -2.337 174.457 176.870 -0.125 0.000 1.015 274 L CA -2.536 52.197 54.840 -0.178 0.000 0.831 274 L CB 1.679 43.739 42.059 0.002 0.000 1.217 274 L HN 0.119 nan 8.230 nan 0.000 0.420 275 P HA 0.165 nan 4.420 nan 0.000 0.275 275 P C -2.014 175.228 177.300 -0.095 0.000 1.228 275 P CA -1.368 61.671 63.100 -0.102 0.000 0.786 275 P CB 0.454 32.108 31.700 -0.077 0.000 0.927 276 P HA -0.045 nan 4.420 nan 0.000 0.221 276 P C 0.178 177.290 177.300 -0.314 0.000 1.155 276 P CA 0.726 63.535 63.100 -0.485 0.000 0.812 276 P CB -0.062 30.980 31.700 -1.096 0.000 0.801 277 A N 0.842 123.550 122.820 -0.186 0.000 2.537 277 A HA 0.057 4.377 4.320 -0.001 0.000 0.260 277 A C 1.844 179.456 177.584 0.046 0.000 1.082 277 A CA 0.658 52.672 52.037 -0.039 0.000 0.765 277 A CB -0.889 18.105 19.000 -0.010 0.000 1.019 277 A HN 0.185 nan 8.150 nan 0.000 0.507 278 T N 2.117 116.712 114.554 0.068 0.000 2.680 278 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 278 T C 1.740 176.550 174.700 0.182 0.000 1.033 278 T CA 2.984 65.170 62.100 0.143 0.000 1.152 278 T CB -0.727 68.214 68.868 0.122 0.000 0.859 278 T HN 1.079 nan 8.240 nan 0.000 0.452 279 V N -0.636 119.342 119.914 0.106 0.000 2.453 279 V HA -0.013 4.106 4.120 -0.001 0.000 0.247 279 V C 2.195 178.355 176.094 0.109 0.000 1.048 279 V CA 2.154 64.503 62.300 0.082 0.000 1.049 279 V CB -0.948 30.893 31.823 0.030 0.000 0.672 279 V HN 0.277 nan 8.190 nan 0.000 0.457 280 D N 0.115 120.570 120.400 0.090 0.000 2.117 280 D HA -0.071 4.568 4.640 -0.001 0.000 0.198 280 D C 1.742 178.099 176.300 0.095 0.000 0.982 280 D CA 1.447 55.483 54.000 0.061 0.000 0.828 280 D CB -0.384 40.427 40.800 0.019 0.000 0.967 280 D HN 0.480 nan 8.370 nan 0.000 0.464 281 F N 0.685 120.628 119.950 -0.011 0.000 2.095 281 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 281 F C 2.362 178.177 175.800 0.026 0.000 1.104 281 F CA 1.786 59.777 58.000 -0.015 0.000 1.232 281 F CB -0.570 38.416 39.000 -0.023 0.000 0.987 281 F HN 0.075 nan 8.300 nan 0.000 0.475 282 H N -0.812 118.283 119.070 0.041 0.000 2.387 282 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 282 H C 2.312 177.581 175.328 -0.099 0.000 1.099 282 H CA 2.083 58.102 56.048 -0.049 0.000 1.315 282 H CB -0.250 29.537 29.762 0.041 0.000 1.380 282 H HN 0.250 nan 8.280 nan 0.000 0.513 283 S N -0.706 115.051 115.700 0.094 0.000 2.383 283 S HA -0.144 4.326 4.470 -0.001 0.000 0.227 283 S C 2.295 176.857 174.600 -0.064 0.000 1.026 283 S CA 1.082 59.303 58.200 0.036 0.000 0.981 283 S CB -0.138 63.085 63.200 0.038 0.000 0.818 283 S HN 0.459 nan 8.310 nan 0.000 0.472 284 S N 1.888 117.513 115.700 -0.124 0.000 2.368 284 S HA 0.025 4.494 4.470 -0.001 0.000 0.225 284 S C 1.793 176.305 174.600 -0.146 0.000 1.030 284 S CA 0.888 59.010 58.200 -0.130 0.000 0.999 284 S CB -0.442 62.650 63.200 -0.180 0.000 0.844 284 S HN 0.373 nan 8.310 nan 0.000 0.459 285 L N 1.072 122.083 121.223 -0.354 0.000 2.083 285 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 285 L C 2.431 179.150 176.870 -0.251 0.000 1.083 285 L CA 1.263 55.880 54.840 -0.373 0.000 0.752 285 L CB -0.470 41.274 42.059 -0.524 0.000 0.899 285 L HN 0.269 nan 8.230 nan 0.000 0.433 286 K N -0.794 119.475 120.400 -0.218 0.000 2.103 286 K HA -0.247 4.073 4.320 -0.001 0.000 0.207 286 K C 2.079 178.638 176.600 -0.069 0.000 1.048 286 K CA 1.742 57.947 56.287 -0.137 0.000 0.930 286 K CB -0.286 32.167 32.500 -0.077 0.000 0.716 286 K HN 0.256 nan 8.250 nan 0.000 0.444 287 Y N 0.946 121.162 120.300 -0.139 0.000 2.163 287 Y HA -0.226 4.323 4.550 -0.001 0.000 0.288 287 Y C 1.885 177.719 175.900 -0.109 0.000 1.136 287 Y CA 1.109 59.145 58.100 -0.106 0.000 1.147 287 Y CB -0.135 38.264 38.460 -0.101 0.000 0.987 287 Y HN -0.252 nan 8.280 nan 0.000 0.509 288 V N 0.837 120.625 119.914 -0.210 0.000 2.407 288 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 288 V C 2.595 178.501 176.094 -0.313 0.000 1.055 288 V CA 1.793 63.912 62.300 -0.303 0.000 1.049 288 V CB -1.500 30.194 31.823 -0.215 0.000 0.662 288 V HN 0.591 nan 8.190 nan 0.000 0.455 289 A N -0.763 121.906 122.820 -0.252 0.000 2.168 289 A HA -0.057 4.263 4.320 -0.001 0.000 0.215 289 A C 2.111 179.582 177.584 -0.188 0.000 1.152 289 A CA 0.869 52.781 52.037 -0.209 0.000 0.716 289 A CB -0.214 18.680 19.000 -0.177 0.000 0.794 289 A HN 0.410 nan 8.150 nan 0.000 0.465 290 R N -1.065 119.301 120.500 -0.222 0.000 2.437 290 R HA 0.324 4.664 4.340 -0.001 0.000 0.257 290 R C 1.477 177.643 176.300 -0.223 0.000 0.927 290 R CA -0.190 55.800 56.100 -0.182 0.000 1.078 290 R CB -0.557 29.663 30.300 -0.133 0.000 1.161 290 R HN 0.491 nan 8.270 nan 0.000 0.529 291 L N 2.258 123.285 121.223 -0.326 0.000 1.990 291 L HA -0.151 4.189 4.340 -0.001 0.000 0.213 291 L C -0.512 176.255 176.870 -0.171 0.000 1.072 291 L CA 2.142 56.796 54.840 -0.309 0.000 0.755 291 L CB -1.095 40.758 42.059 -0.343 0.000 0.889 291 L HN 0.067 nan 8.230 nan 0.000 0.432 292 P HA -0.230 nan 4.420 nan 0.000 0.215 292 P C 1.165 178.417 177.300 -0.080 0.000 1.153 292 P CA 1.578 64.620 63.100 -0.097 0.000 0.853 292 P CB 0.016 31.660 31.700 -0.092 0.000 0.788 293 E N 0.505 120.652 120.200 -0.087 0.000 2.051 293 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 293 E C 2.235 178.799 176.600 -0.060 0.000 0.991 293 E CA 1.169 57.530 56.400 -0.066 0.000 0.799 293 E CB -1.319 28.342 29.700 -0.065 0.000 0.748 293 E HN 0.168 nan 8.360 nan 0.000 0.449 294 L N -0.476 120.702 121.223 -0.075 0.000 2.046 294 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 294 L C 2.470 179.301 176.870 -0.064 0.000 1.077 294 L CA 1.050 55.852 54.840 -0.064 0.000 0.747 294 L CB -0.369 41.652 42.059 -0.063 0.000 0.896 294 L HN 0.099 nan 8.230 nan 0.000 0.432 295 V N -0.135 119.743 119.914 -0.060 0.000 2.407 295 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 295 V C 2.490 178.561 176.094 -0.038 0.000 1.055 295 V CA 1.760 64.032 62.300 -0.046 0.000 1.049 295 V CB -0.467 31.332 31.823 -0.039 0.000 0.662 295 V HN 0.369 nan 8.190 nan 0.000 0.455 296 K N 0.446 120.823 120.400 -0.038 0.000 2.097 296 K HA -0.144 4.175 4.320 -0.001 0.000 0.205 296 K C 1.878 178.468 176.600 -0.016 0.000 1.050 296 K CA 1.414 57.687 56.287 -0.024 0.000 0.938 296 K CB -0.581 31.903 32.500 -0.026 0.000 0.718 296 K HN 0.331 nan 8.250 nan 0.000 0.442 297 L N 0.627 121.834 121.223 -0.026 0.000 1.994 297 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 297 L C 1.834 178.698 176.870 -0.011 0.000 1.071 297 L CA 1.692 56.523 54.840 -0.015 0.000 0.745 297 L CB -0.603 41.438 42.059 -0.029 0.000 0.892 297 L HN 0.167 nan 8.230 nan 0.000 0.431 298 I N -0.567 119.957 120.570 -0.077 0.000 2.151 298 I HA -0.302 3.868 4.170 -0.001 0.000 0.243 298 I C 2.747 178.892 176.117 0.046 0.000 1.080 298 I CA 1.796 63.038 61.300 -0.098 0.000 1.339 298 I CB -1.946 35.963 38.000 -0.151 0.000 1.039 298 I HN 0.476 nan 8.210 nan 0.000 0.409 299 S N 0.881 116.593 115.700 0.020 0.000 2.344 299 S HA -0.214 4.255 4.470 -0.001 0.000 0.217 299 S C 1.768 176.395 174.600 0.044 0.000 1.033 299 S CA 1.819 60.038 58.200 0.032 0.000 1.017 299 S CB -0.262 62.946 63.200 0.012 0.000 0.941 299 S HN 0.379 nan 8.310 nan 0.000 0.430 300 D N 1.527 121.948 120.400 0.035 0.000 2.172 300 D HA -0.141 4.499 4.640 -0.001 0.000 0.196 300 D C 1.402 177.735 176.300 0.055 0.000 0.999 300 D CA 1.479 55.501 54.000 0.036 0.000 0.856 300 D CB -0.403 40.414 40.800 0.028 0.000 0.934 300 D HN 0.851 nan 8.370 nan 0.000 0.453 301 E N -0.309 119.945 120.200 0.090 0.000 2.411 301 E HA 0.436 4.786 4.350 -0.001 0.000 0.204 301 E C 0.946 177.616 176.600 0.116 0.000 1.059 301 E CA -0.098 56.367 56.400 0.107 0.000 1.112 301 E CB 0.518 30.308 29.700 0.150 0.000 1.168 301 E HN 0.172 nan 8.360 nan 0.000 0.445 302 G N 1.117 109.975 108.800 0.096 0.000 2.061 302 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.059 302 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.059 302 G C -0.123 174.825 174.900 0.081 0.000 1.013 302 G CA -0.427 44.723 45.100 0.083 0.000 1.185 302 G HN 0.548 nan 8.290 nan 0.000 0.410 303 C N 0.875 120.237 119.300 0.102 0.000 2.649 303 C HA 0.774 5.233 4.460 -0.001 0.000 0.377 303 C C 0.526 175.554 174.990 0.063 0.000 1.321 303 C CA -0.070 58.994 59.018 0.077 0.000 2.368 303 C CB 0.867 28.657 27.740 0.084 0.000 2.597 303 C HN 0.909 nan 8.230 nan 0.000 0.678 304 E N -0.295 119.930 120.200 0.041 0.000 2.248 304 E HA 0.524 4.873 4.350 -0.001 0.000 0.272 304 E C -1.032 175.580 176.600 0.021 0.000 1.008 304 E CA -0.319 56.096 56.400 0.026 0.000 0.856 304 E CB 1.065 30.776 29.700 0.019 0.000 1.120 304 E HN 0.885 nan 8.360 nan 0.000 0.397 305 C N 3.357 122.664 119.300 0.011 0.000 2.341 305 C HA 0.258 4.718 4.460 -0.001 0.000 0.338 305 C C 0.478 175.471 174.990 0.004 0.000 1.257 305 C CA -0.592 58.430 59.018 0.007 0.000 1.883 305 C CB 0.953 28.695 27.740 0.003 0.000 2.334 305 C HN 0.763 nan 8.230 nan 0.000 0.524 306 Q N 2.809 122.609 119.800 0.001 0.000 2.217 306 Q HA 0.180 4.520 4.340 -0.001 0.000 0.226 306 Q C -0.373 175.625 176.000 -0.005 0.000 0.875 306 Q CA 0.098 55.900 55.803 -0.002 0.000 0.974 306 Q CB -0.159 28.576 28.738 -0.006 0.000 1.079 306 Q HN 0.776 nan 8.270 nan 0.000 0.463 307 L N 1.947 123.170 121.223 0.001 0.000 2.638 307 L HA 0.037 4.377 4.340 -0.001 0.000 0.273 307 L C 1.415 178.288 176.870 0.005 0.000 1.147 307 L CA -0.090 54.753 54.840 0.005 0.000 0.941 307 L CB 0.370 42.439 42.059 0.016 0.000 1.251 307 L HN 0.310 nan 8.230 nan 0.000 0.479 308 A N 3.941 126.767 122.820 0.009 0.000 1.823 308 A HA -0.038 4.281 4.320 -0.001 0.000 0.214 308 A C 1.093 178.686 177.584 0.014 0.000 1.227 308 A CA 1.789 53.840 52.037 0.023 0.000 0.616 308 A CB -0.282 18.752 19.000 0.055 0.000 0.874 308 A HN 0.710 nan 8.150 nan 0.000 0.455 309 T N -3.819 110.738 114.554 0.006 0.000 2.693 309 T HA 0.551 4.901 4.350 -0.001 0.000 0.278 309 T C -0.939 173.742 174.700 -0.033 0.000 0.994 309 T CA -0.363 61.735 62.100 -0.003 0.000 1.033 309 T CB 1.280 70.153 68.868 0.008 0.000 1.342 309 T HN 0.368 nan 8.240 nan 0.000 0.538 310 N N 0.400 119.095 118.700 -0.009 0.000 2.549 310 N HA 0.373 5.112 4.740 -0.001 0.000 0.281 310 N C -1.362 174.150 175.510 0.004 0.000 1.084 310 N CA -0.785 52.265 53.050 0.000 0.000 0.862 310 N CB 0.493 39.051 38.487 0.118 0.000 1.333 310 N HN 0.648 nan 8.380 nan 0.000 0.523 311 I N 1.738 122.132 120.570 -0.294 0.000 2.396 311 I HA 0.472 4.641 4.170 -0.001 0.000 0.292 311 I C 1.265 177.197 176.117 -0.309 0.000 0.999 311 I CA -0.620 60.495 61.300 -0.308 0.000 1.310 311 I CB 0.688 38.369 38.000 -0.531 0.000 1.404 311 I HN 0.538 nan 8.210 nan 0.000 0.496 312 G N 5.885 114.310 108.800 -0.626 0.000 2.420 312 G HA2 0.730 4.690 3.960 -0.001 0.000 0.331 312 G HA3 0.730 4.690 3.960 -0.001 0.000 0.331 312 G C -1.271 173.532 174.900 -0.162 0.000 1.168 312 G CA -0.366 44.215 45.100 -0.864 0.000 0.936 312 G HN 0.519 nan 8.290 nan 0.000 0.479 313 F N 0.081 119.941 119.950 -0.151 0.000 2.608 313 F HA 0.662 5.189 4.527 -0.001 0.000 0.309 313 F C -0.604 175.181 175.800 -0.025 0.000 1.103 313 F CA -1.999 56.014 58.000 0.021 0.000 0.954 313 F CB 1.510 40.644 39.000 0.223 0.000 1.267 313 F HN 0.213 nan 8.300 nan 0.000 0.444 314 M N 2.802 122.433 119.600 0.052 0.000 2.219 314 M HA 0.248 4.728 4.480 -0.001 0.000 0.353 314 M C -0.075 176.210 176.300 -0.024 0.000 1.304 314 M CA 0.364 55.573 55.300 -0.152 0.000 1.115 314 M CB 0.941 33.284 32.600 -0.428 0.000 1.664 314 M HN 0.798 nan 8.290 nan 0.000 0.459 315 S N 2.706 118.304 115.700 -0.171 0.000 2.473 315 S HA 0.441 4.910 4.470 -0.001 0.000 0.307 315 S C -0.206 174.318 174.600 -0.126 0.000 1.094 315 S CA -0.574 57.551 58.200 -0.124 0.000 1.070 315 S CB 0.553 63.612 63.200 -0.236 0.000 1.019 315 S HN 0.696 nan 8.310 nan 0.000 0.480 316 K N 1.313 121.667 120.400 -0.078 0.000 3.117 316 K HA -0.187 4.133 4.320 -0.001 0.000 0.269 316 K C -0.671 175.923 176.600 -0.010 0.000 1.098 316 K CA 0.160 56.424 56.287 -0.039 0.000 0.785 316 K CB -1.706 30.753 32.500 -0.069 0.000 1.242 316 K HN 0.452 nan 8.250 nan 0.000 0.491 317 L N 1.018 122.243 121.223 0.003 0.000 2.380 317 L HA 0.214 4.553 4.340 -0.001 0.000 0.273 317 L C 0.216 177.177 176.870 0.151 0.000 1.138 317 L CA 0.619 55.440 54.840 -0.032 0.000 0.832 317 L CB 1.477 43.307 42.059 -0.382 0.000 1.124 317 L HN 0.200 nan 8.230 nan 0.000 0.454 318 S N 2.850 118.758 115.700 0.348 0.000 2.766 318 S HA 0.337 4.806 4.470 -0.001 0.000 0.307 318 S C 0.817 175.422 174.600 0.008 0.000 1.121 318 S CA -0.636 57.637 58.200 0.122 0.000 0.980 318 S CB 1.256 64.424 63.200 -0.053 0.000 1.159 318 S HN 0.746 nan 8.310 nan 0.000 0.546 319 N N -0.053 118.630 118.700 -0.029 0.000 2.494 319 N HA 0.004 4.744 4.740 -0.001 0.000 0.182 319 N C -0.349 175.110 175.510 -0.085 0.000 1.076 319 N CA 0.256 53.292 53.050 -0.022 0.000 0.908 319 N CB 0.041 38.529 38.487 0.002 0.000 0.967 319 N HN 0.399 nan 8.380 nan 0.000 0.449 320 K N 0.340 120.607 120.400 -0.221 0.000 2.518 320 K HA -0.040 4.279 4.320 -0.001 0.000 0.276 320 K C 0.987 177.506 176.600 -0.136 0.000 0.974 320 K CA -0.129 56.003 56.287 -0.259 0.000 0.986 320 K CB 0.580 32.751 32.500 -0.547 0.000 0.901 320 K HN 0.039 nan 8.250 nan 0.000 0.497 321 A N 2.544 125.321 122.820 -0.072 0.000 1.873 321 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 321 A C 1.939 179.545 177.584 0.036 0.000 1.186 321 A CA 2.070 54.100 52.037 -0.012 0.000 0.616 321 A CB -0.605 18.384 19.000 -0.017 0.000 0.823 321 A HN 1.008 nan 8.150 nan 0.000 0.442 322 D N -1.161 119.259 120.400 0.033 0.000 2.157 322 D HA -0.273 4.367 4.640 -0.001 0.000 0.191 322 D C 1.683 178.114 176.300 0.218 0.000 1.004 322 D CA 2.049 56.120 54.000 0.118 0.000 0.854 322 D CB -0.191 40.687 40.800 0.131 0.000 0.936 322 D HN 0.571 nan 8.370 nan 0.000 0.446 323 H N -0.013 119.045 119.070 -0.020 0.000 2.387 323 H HA -0.022 4.534 4.556 -0.001 0.000 0.299 323 H C 1.899 177.192 175.328 -0.058 0.000 1.099 323 H CA 1.213 57.219 56.048 -0.070 0.000 1.315 323 H CB -0.294 29.413 29.762 -0.091 0.000 1.380 323 H HN 0.207 nan 8.280 nan 0.000 0.513 324 K N -0.334 120.143 120.400 0.128 0.000 2.283 324 K HA -0.164 4.155 4.320 -0.001 0.000 0.202 324 K C 1.737 178.393 176.600 0.094 0.000 1.048 324 K CA 0.640 56.984 56.287 0.094 0.000 0.948 324 K CB -0.040 32.501 32.500 0.068 0.000 0.742 324 K HN 0.267 nan 8.250 nan 0.000 0.458 325 Y N 0.444 120.723 120.300 -0.036 0.000 2.184 325 Y HA -0.210 4.339 4.550 -0.001 0.000 0.290 325 Y C 2.174 177.988 175.900 -0.143 0.000 1.129 325 Y CA 1.042 59.102 58.100 -0.067 0.000 1.144 325 Y CB -0.612 37.815 38.460 -0.056 0.000 0.995 325 Y HN 0.063 nan 8.280 nan 0.000 0.513 326 C N -0.174 118.920 119.300 -0.344 0.000 2.429 326 C HA -0.197 4.262 4.460 -0.001 0.000 0.277 326 C C 2.679 177.351 174.990 -0.530 0.000 1.262 326 C CA 1.549 60.095 59.018 -0.787 0.000 1.733 326 C CB -1.537 25.655 27.740 -0.915 0.000 2.010 326 C HN 0.670 nan 8.230 nan 0.000 0.483 327 H N 1.518 120.369 119.070 -0.365 0.000 2.319 327 H HA -0.120 4.435 4.556 -0.001 0.000 0.297 327 H C 2.253 177.493 175.328 -0.146 0.000 1.097 327 H CA 2.271 58.189 56.048 -0.217 0.000 1.285 327 H CB -0.416 29.235 29.762 -0.185 0.000 1.368 327 H HN 0.400 nan 8.280 nan 0.000 0.495 328 S N 0.389 116.039 115.700 -0.084 0.000 2.355 328 S HA -0.091 4.378 4.470 -0.001 0.000 0.222 328 S C 2.639 177.179 174.600 -0.099 0.000 1.031 328 S CA 1.123 59.256 58.200 -0.112 0.000 0.993 328 S CB -0.377 62.756 63.200 -0.113 0.000 0.859 328 S HN 0.323 nan 8.310 nan 0.000 0.453 329 L N 1.477 122.561 121.223 -0.231 0.000 1.990 329 L HA -0.213 4.127 4.340 -0.001 0.000 0.213 329 L C 2.923 179.870 176.870 0.129 0.000 1.072 329 L CA 1.413 56.180 54.840 -0.122 0.000 0.755 329 L CB -0.955 40.959 42.059 -0.241 0.000 0.889 329 L HN 0.351 nan 8.230 nan 0.000 0.432 330 A N -0.007 122.950 122.820 0.227 0.000 1.917 330 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 330 A C 2.346 180.123 177.584 0.321 0.000 1.182 330 A CA 1.951 54.243 52.037 0.425 0.000 0.633 330 A CB -0.455 18.788 19.000 0.406 0.000 0.819 330 A HN 0.349 nan 8.150 nan 0.000 0.448 331 K N -0.558 119.964 120.400 0.203 0.000 2.097 331 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 331 K C 1.991 178.662 176.600 0.118 0.000 1.049 331 K CA 1.582 57.963 56.287 0.156 0.000 0.933 331 K CB -0.202 32.336 32.500 0.063 0.000 0.717 331 K HN 0.651 nan 8.250 nan 0.000 0.442 332 E N 0.347 120.592 120.200 0.075 0.000 2.077 332 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 332 E C 2.094 178.711 176.600 0.027 0.000 0.989 332 E CA 1.200 57.623 56.400 0.039 0.000 0.800 332 E CB 0.013 29.722 29.700 0.015 0.000 0.746 332 E HN 0.043 nan 8.360 nan 0.000 0.452 333 V N 0.471 120.406 119.914 0.035 0.000 2.244 333 V HA -0.226 3.893 4.120 -0.001 0.000 0.244 333 V C 1.946 177.945 176.094 -0.158 0.000 1.042 333 V CA 1.760 64.004 62.300 -0.092 0.000 1.006 333 V CB -0.472 31.259 31.823 -0.153 0.000 0.641 333 V HN 0.176 nan 8.190 nan 0.000 0.446 334 F N 0.216 120.182 119.950 0.025 0.000 2.367 334 F HA 0.307 4.834 4.527 -0.001 0.000 0.298 334 F C 1.973 177.789 175.800 0.028 0.000 1.094 334 F CA 0.975 58.990 58.000 0.025 0.000 1.409 334 F CB -0.817 38.212 39.000 0.048 0.000 1.064 334 F HN 0.318 nan 8.300 nan 0.000 0.528 335 G N 0.688 109.606 108.800 0.196 0.000 2.646 335 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.324 335 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.324 335 G C 1.542 176.520 174.900 0.129 0.000 1.195 335 G CA 0.429 45.603 45.100 0.122 0.000 0.976 335 G HN 0.585 nan 8.290 nan 0.000 0.546 336 G N -0.463 108.399 108.800 0.103 0.000 2.421 336 G HA2 0.137 4.096 3.960 -0.001 0.000 0.217 336 G HA3 0.137 4.096 3.960 -0.001 0.000 0.217 336 G C 1.034 175.999 174.900 0.108 0.000 1.143 336 G CA 1.499 46.652 45.100 0.087 0.000 0.784 336 G HN 0.592 nan 8.290 nan 0.000 0.541 337 D N 0.468 120.962 120.400 0.156 0.000 2.346 337 D HA 0.124 4.763 4.640 -0.001 0.000 0.248 337 D C 0.811 177.192 176.300 0.134 0.000 1.173 337 D CA 0.184 54.283 54.000 0.165 0.000 0.878 337 D CB 0.073 41.017 40.800 0.239 0.000 0.919 337 D HN 0.113 nan 8.370 nan 0.000 0.513 338 M N 0.659 120.340 119.600 0.135 0.000 2.277 338 M HA 0.243 4.723 4.480 -0.001 0.000 0.350 338 M C 0.119 176.486 176.300 0.111 0.000 1.180 338 M CA -0.650 54.704 55.300 0.091 0.000 1.103 338 M CB 1.739 34.436 32.600 0.162 0.000 1.577 338 M HN -0.078 nan 8.290 nan 0.000 0.459 339 L N 2.546 123.857 121.223 0.148 0.000 2.397 339 L HA 0.071 4.410 4.340 -0.001 0.000 0.271 339 L C 0.515 177.496 176.870 0.186 0.000 1.148 339 L CA 0.093 55.038 54.840 0.174 0.000 0.825 339 L CB 0.844 43.050 42.059 0.245 0.000 1.117 339 L HN 0.709 nan 8.230 nan 0.000 0.456 340 D N 1.522 122.001 120.400 0.130 0.000 2.310 340 D HA -0.042 4.598 4.640 -0.001 0.000 0.212 340 D C -0.019 176.373 176.300 0.153 0.000 0.965 340 D CA 0.671 54.746 54.000 0.124 0.000 0.879 340 D CB 0.178 41.015 40.800 0.062 0.000 0.921 340 D HN 0.138 nan 8.370 nan 0.000 0.510 341 V N 0.197 120.202 119.914 0.152 0.000 2.864 341 V HA 0.538 4.657 4.120 -0.001 0.000 0.314 341 V C -0.587 175.650 176.094 0.238 0.000 1.073 341 V CA -1.197 61.160 62.300 0.095 0.000 0.956 341 V CB 1.790 33.629 31.823 0.027 0.000 1.023 341 V HN 0.064 nan 8.190 nan 0.000 0.435 342 F N 0.609 120.674 119.950 0.193 0.000 2.631 342 F HA 0.777 5.304 4.527 -0.001 0.000 0.328 342 F C -0.946 174.904 175.800 0.083 0.000 1.067 342 F CA -1.357 56.744 58.000 0.169 0.000 0.969 342 F CB 1.570 40.598 39.000 0.048 0.000 1.332 342 F HN 0.236 nan 8.300 nan 0.000 0.490 343 L N 3.892 125.257 121.223 0.236 0.000 2.259 343 L HA 0.418 4.758 4.340 -0.001 0.000 0.288 343 L C -2.290 174.707 176.870 0.212 0.000 1.051 343 L CA -1.976 52.850 54.840 -0.024 0.000 0.824 343 L CB 1.523 43.354 42.059 -0.381 0.000 1.206 343 L HN 0.414 nan 8.230 nan 0.000 0.429 344 P HA 0.099 nan 4.420 nan 0.000 0.277 344 P C -0.913 176.541 177.300 0.257 0.000 1.240 344 P CA -0.692 62.622 63.100 0.356 0.000 0.798 344 P CB 0.951 32.864 31.700 0.354 0.000 0.979 345 R N 2.700 123.322 120.500 0.204 0.000 2.316 345 R HA 0.407 4.747 4.340 -0.001 0.000 0.314 345 R C -0.659 175.767 176.300 0.210 0.000 1.069 345 R CA -0.120 56.088 56.100 0.180 0.000 0.959 345 R CB -0.363 30.015 30.300 0.130 0.000 0.987 345 R HN 0.510 nan 8.270 nan 0.000 0.446 346 L N 2.993 124.385 121.223 0.283 0.000 2.393 346 L HA 0.259 4.598 4.340 -0.001 0.000 0.260 346 L C 0.527 177.485 176.870 0.146 0.000 1.002 346 L CA -0.987 53.958 54.840 0.175 0.000 0.818 346 L CB 2.235 44.346 42.059 0.087 0.000 1.369 346 L HN 0.578 nan 8.230 nan 0.000 0.412 347 D N 1.558 122.008 120.400 0.083 0.000 2.178 347 D HA -0.120 4.519 4.640 -0.001 0.000 0.201 347 D C 1.763 178.131 176.300 0.113 0.000 0.980 347 D CA 1.675 55.731 54.000 0.094 0.000 0.842 347 D CB 0.209 41.057 40.800 0.081 0.000 0.948 347 D HN 0.889 nan 8.370 nan 0.000 0.472 348 G N 0.122 108.928 108.800 0.010 0.000 2.440 348 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 348 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 348 G C 1.547 176.448 174.900 0.002 0.000 1.154 348 G CA 0.191 45.255 45.100 -0.060 0.000 0.767 348 G HN 0.255 nan 8.290 nan 0.000 0.552 349 F N 0.574 120.567 119.950 0.072 0.000 2.186 349 F HA 0.054 4.581 4.527 -0.001 0.000 0.299 349 F C 2.788 178.643 175.800 0.092 0.000 1.090 349 F CA 1.139 59.181 58.000 0.070 0.000 1.307 349 F CB 0.087 39.102 39.000 0.025 0.000 1.019 349 F HN 0.172 nan 8.300 nan 0.000 0.489 350 E N 0.233 120.593 120.200 0.266 0.000 2.015 350 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 350 E C 2.267 178.939 176.600 0.120 0.000 0.991 350 E CA 0.962 57.459 56.400 0.161 0.000 0.802 350 E CB -0.049 29.719 29.700 0.114 0.000 0.759 350 E HN 0.344 nan 8.360 nan 0.000 0.447 351 R N 0.014 120.591 120.500 0.128 0.000 2.120 351 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 351 R C 2.483 178.842 176.300 0.099 0.000 1.123 351 R CA 1.148 57.288 56.100 0.067 0.000 0.975 351 R CB -0.494 29.824 30.300 0.031 0.000 0.866 351 R HN 0.270 nan 8.270 nan 0.000 0.446 352 C N -0.121 119.311 119.300 0.221 0.000 2.476 352 C HA 0.007 4.466 4.460 -0.001 0.000 0.278 352 C C 2.862 177.965 174.990 0.187 0.000 1.274 352 C CA 0.995 60.159 59.018 0.244 0.000 1.713 352 C CB -1.208 26.714 27.740 0.304 0.000 2.039 352 C HN 0.723 nan 8.230 nan 0.000 0.484 353 G N -0.022 108.912 108.800 0.223 0.000 2.450 353 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 353 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 353 G C 1.474 176.207 174.900 -0.279 0.000 1.130 353 G CA 0.796 45.979 45.100 0.138 0.000 0.760 353 G HN 0.689 nan 8.290 nan 0.000 0.557 354 E N 0.337 120.440 120.200 -0.162 0.000 2.153 354 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 354 E C 2.354 178.795 176.600 -0.266 0.000 0.988 354 E CA 1.260 57.526 56.400 -0.223 0.000 0.811 354 E CB 0.040 29.674 29.700 -0.111 0.000 0.746 354 E HN 0.590 nan 8.360 nan 0.000 0.466 355 S N -0.966 114.629 115.700 -0.174 0.000 2.568 355 S HA 0.141 4.610 4.470 -0.001 0.000 0.232 355 S C 0.331 174.926 174.600 -0.007 0.000 0.975 355 S CA -0.587 57.569 58.200 -0.073 0.000 0.949 355 S CB -0.347 62.854 63.200 0.002 0.000 0.829 355 S HN 0.324 nan 8.310 nan 0.000 0.479 356 F N 1.307 121.116 119.950 -0.236 0.000 3.091 356 F HA -0.192 4.335 4.527 -0.000 0.000 0.288 356 F C -0.138 175.554 175.800 -0.179 0.000 0.907 356 F CA 0.358 58.031 58.000 -0.545 0.000 1.028 356 F CB -1.525 37.203 39.000 -0.454 0.000 1.022 356 F HN 0.292 nan 8.300 nan 0.000 0.665 357 D N -0.701 119.827 120.400 0.212 0.000 2.326 357 D HA 0.473 5.112 4.640 -0.001 0.000 0.248 357 D C 0.312 176.918 176.300 0.510 0.000 1.001 357 D CA -0.179 54.026 54.000 0.341 0.000 0.961 357 D CB 1.596 42.549 40.800 0.256 0.000 1.183 357 D HN -0.123 nan 8.370 nan 0.000 0.502 358 T N -0.138 114.693 114.554 0.462 0.000 2.895 358 T HA 0.232 4.582 4.350 -0.001 0.000 0.283 358 T C 1.574 176.468 174.700 0.323 0.000 1.014 358 T CA -0.683 61.666 62.100 0.416 0.000 1.037 358 T CB 1.457 70.601 68.868 0.459 0.000 1.006 358 T HN 0.208 nan 8.240 nan 0.000 0.468 359 V N 1.440 121.500 119.914 0.243 0.000 3.330 359 V HA -0.021 4.099 4.120 -0.001 0.000 0.273 359 V C 1.475 177.654 176.094 0.142 0.000 1.179 359 V CA 1.108 63.467 62.300 0.099 0.000 1.174 359 V CB -1.000 30.766 31.823 -0.094 0.000 0.794 359 V HN 0.710 nan 8.190 nan 0.000 0.527 360 I N 1.746 122.472 120.570 0.260 0.000 2.810 360 I HA 0.004 4.173 4.170 -0.001 0.000 0.262 360 I C 2.694 179.078 176.117 0.445 0.000 1.131 360 I CA 1.734 63.214 61.300 0.299 0.000 1.453 360 I CB -0.799 37.371 38.000 0.283 0.000 1.161 360 I HN 0.577 nan 8.210 nan 0.000 0.444 361 S N 1.389 117.357 115.700 0.446 0.000 2.461 361 S HA 0.177 4.646 4.470 -0.001 0.000 0.228 361 S C 1.327 176.213 174.600 0.477 0.000 1.005 361 S CA 0.057 58.571 58.200 0.522 0.000 0.942 361 S CB -0.458 62.968 63.200 0.376 0.000 0.776 361 S HN 0.258 nan 8.310 nan 0.000 0.514 362 A N 2.958 125.967 122.820 0.314 0.000 2.484 362 A HA 0.316 4.635 4.320 -0.001 0.000 0.268 362 A C 0.381 177.878 177.584 -0.146 0.000 1.114 362 A CA -0.439 51.681 52.037 0.139 0.000 0.780 362 A CB -0.289 18.803 19.000 0.152 0.000 1.061 362 A HN 0.431 nan 8.150 nan 0.000 0.505 363 N N 3.613 122.121 118.700 -0.320 0.000 2.452 363 N HA 0.129 4.868 4.740 -0.001 0.000 0.266 363 N C -1.813 173.430 175.510 -0.444 0.000 1.175 363 N CA -1.809 50.754 53.050 -0.811 0.000 0.945 363 N CB 1.128 39.331 38.487 -0.473 0.000 1.063 363 N HN 0.222 nan 8.380 nan 0.000 0.472 364 P HA -0.089 nan 4.420 nan 0.000 0.216 364 P C 0.791 178.018 177.300 -0.121 0.000 1.150 364 P CA 1.379 64.333 63.100 -0.244 0.000 0.837 364 P CB 0.145 31.696 31.700 -0.248 0.000 0.786 365 A N -1.134 121.589 122.820 -0.162 0.000 1.978 365 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 365 A C 2.148 179.702 177.584 -0.050 0.000 1.170 365 A CA 2.271 54.254 52.037 -0.090 0.000 0.636 365 A CB -1.718 17.225 19.000 -0.096 0.000 0.810 365 A HN 0.178 nan 8.150 nan 0.000 0.448 366 T N -2.187 112.333 114.554 -0.056 0.000 3.051 366 T HA 0.089 4.439 4.350 -0.001 0.000 0.255 366 T C 0.425 175.132 174.700 0.013 0.000 1.085 366 T CA -0.055 62.029 62.100 -0.027 0.000 1.109 366 T CB -0.250 68.594 68.868 -0.039 0.000 0.921 366 T HN 0.408 nan 8.240 nan 0.000 0.488 367 Y N 3.127 123.370 120.300 -0.096 0.000 2.804 367 Y HA 0.094 4.644 4.550 -0.001 0.000 0.338 367 Y C 0.045 175.913 175.900 -0.054 0.000 1.252 367 Y CA -0.559 57.498 58.100 -0.072 0.000 1.576 367 Y CB 0.145 38.554 38.460 -0.085 0.000 1.223 367 Y HN -0.143 nan 8.280 nan 0.000 0.536 368 V N 8.039 127.694 119.914 -0.432 0.000 2.223 368 V HA 0.522 4.642 4.120 -0.001 0.000 0.249 368 V C 0.693 176.506 176.094 -0.469 0.000 1.233 368 V CA 0.761 62.865 62.300 -0.326 0.000 1.131 368 V CB -0.911 30.770 31.823 -0.238 0.000 1.298 368 V HN 1.035 nan 8.190 nan 0.000 0.498 369 G N 2.681 111.317 108.800 -0.274 0.000 2.392 369 G HA2 0.353 4.313 3.960 -0.001 0.000 0.260 369 G HA3 0.353 4.313 3.960 -0.001 0.000 0.260 369 G C -0.727 174.262 174.900 0.149 0.000 1.226 369 G CA -0.068 44.970 45.100 -0.104 0.000 0.913 369 G HN 0.510 nan 8.290 nan 0.000 0.483 370 S N 0.285 116.126 115.700 0.234 0.000 2.475 370 S HA 0.597 5.066 4.470 -0.001 0.000 0.281 370 S C 1.339 176.013 174.600 0.123 0.000 1.198 370 S CA 0.513 58.799 58.200 0.143 0.000 1.063 370 S CB 1.624 64.870 63.200 0.076 0.000 0.972 370 S HN 1.788 nan 8.310 nan 0.000 0.486 371 A N 2.483 125.330 122.820 0.046 0.000 1.940 371 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 371 A C 1.581 179.097 177.584 -0.114 0.000 1.176 371 A CA 1.899 53.903 52.037 -0.054 0.000 0.631 371 A CB -0.893 18.081 19.000 -0.044 0.000 0.814 371 A HN 0.801 nan 8.150 nan 0.000 0.446 372 D N -0.093 120.268 120.400 -0.065 0.000 2.144 372 D HA 0.005 4.645 4.640 -0.001 0.000 0.199 372 D C 2.193 178.430 176.300 -0.104 0.000 0.984 372 D CA 1.384 55.340 54.000 -0.075 0.000 0.834 372 D CB -0.262 40.515 40.800 -0.039 0.000 0.955 372 D HN 0.457 nan 8.370 nan 0.000 0.465 373 A N 0.567 123.335 122.820 -0.086 0.000 1.858 373 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 373 A C 2.170 179.597 177.584 -0.261 0.000 1.190 373 A CA 0.909 52.888 52.037 -0.098 0.000 0.617 373 A CB -0.885 18.139 19.000 0.041 0.000 0.827 373 A HN 0.278 nan 8.150 nan 0.000 0.443 374 L N -1.042 119.888 121.223 -0.488 0.000 2.017 374 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 374 L C 2.599 179.234 176.870 -0.391 0.000 1.073 374 L CA 2.381 56.816 54.840 -0.675 0.000 0.745 374 L CB -0.334 41.074 42.059 -1.086 0.000 0.894 374 L HN 0.414 nan 8.230 nan 0.000 0.432 375 K N 0.642 120.870 120.400 -0.287 0.000 2.063 375 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 375 K C 1.670 178.164 176.600 -0.176 0.000 1.048 375 K CA 2.098 58.269 56.287 -0.194 0.000 0.928 375 K CB -0.284 32.131 32.500 -0.142 0.000 0.713 375 K HN 0.422 nan 8.250 nan 0.000 0.442 376 N N -0.699 117.897 118.700 -0.174 0.000 2.244 376 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 376 N C 1.551 176.934 175.510 -0.211 0.000 1.016 376 N CA 0.656 53.617 53.050 -0.148 0.000 0.866 376 N CB -0.080 38.343 38.487 -0.106 0.000 0.980 376 N HN 0.281 nan 8.380 nan 0.000 0.430 377 A N 1.624 124.242 122.820 -0.337 0.000 1.873 377 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 377 A C 2.100 179.423 177.584 -0.435 0.000 1.186 377 A CA 0.979 52.647 52.037 -0.615 0.000 0.616 377 A CB -0.489 18.011 19.000 -0.834 0.000 0.823 377 A HN 0.173 nan 8.150 nan 0.000 0.442 378 R N -0.278 120.053 120.500 -0.283 0.000 2.083 378 R HA -0.146 4.194 4.340 -0.001 0.000 0.237 378 R C 1.920 178.155 176.300 -0.108 0.000 1.137 378 R CA 1.903 57.913 56.100 -0.149 0.000 0.951 378 R CB -0.374 29.858 30.300 -0.112 0.000 0.851 378 R HN 0.449 nan 8.270 nan 0.000 0.434 379 I N 1.089 121.586 120.570 -0.121 0.000 2.127 379 I HA -0.232 3.938 4.170 -0.001 0.000 0.241 379 I C 2.627 178.711 176.117 -0.055 0.000 1.075 379 I CA 1.609 62.851 61.300 -0.098 0.000 1.334 379 I CB -1.705 36.241 38.000 -0.090 0.000 1.040 379 I HN 0.280 nan 8.210 nan 0.000 0.405 380 A N 0.966 123.758 122.820 -0.047 0.000 1.908 380 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 380 A C 2.575 180.224 177.584 0.110 0.000 1.181 380 A CA 2.283 54.332 52.037 0.019 0.000 0.627 380 A CB -0.833 18.201 19.000 0.058 0.000 0.818 380 A HN 0.450 nan 8.150 nan 0.000 0.445 381 A N -0.416 122.485 122.820 0.135 0.000 1.902 381 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 381 A C 1.933 179.614 177.584 0.162 0.000 1.181 381 A CA 1.627 53.796 52.037 0.219 0.000 0.623 381 A CB -0.493 18.636 19.000 0.215 0.000 0.818 381 A HN 0.642 nan 8.150 nan 0.000 0.443 382 E N -0.198 120.034 120.200 0.055 0.000 2.106 382 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 382 E C 1.313 177.985 176.600 0.119 0.000 0.984 382 E CA 1.131 57.540 56.400 0.015 0.000 0.806 382 E CB -0.154 29.391 29.700 -0.259 0.000 0.750 382 E HN 0.535 nan 8.360 nan 0.000 0.458 383 D N 0.162 120.606 120.400 0.074 0.000 2.178 383 D HA -0.134 4.506 4.640 -0.001 0.000 0.202 383 D C 1.599 177.937 176.300 0.063 0.000 0.974 383 D CA 0.600 54.640 54.000 0.068 0.000 0.841 383 D CB -0.238 40.571 40.800 0.015 0.000 0.953 383 D HN 0.103 nan 8.370 nan 0.000 0.478 384 F N 1.873 121.780 119.950 -0.072 0.000 2.113 384 F HA -0.059 4.467 4.527 -0.001 0.000 0.297 384 F C 2.189 177.897 175.800 -0.154 0.000 1.103 384 F CA 1.372 59.288 58.000 -0.140 0.000 1.248 384 F CB -0.313 38.586 39.000 -0.169 0.000 0.999 384 F HN -0.065 nan 8.300 nan 0.000 0.475 385 A N 0.068 122.802 122.820 -0.143 0.000 1.902 385 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 385 A C 2.145 179.602 177.584 -0.212 0.000 1.181 385 A CA 1.897 53.788 52.037 -0.243 0.000 0.623 385 A CB -0.767 18.217 19.000 -0.027 0.000 0.818 385 A HN 0.357 nan 8.150 nan 0.000 0.443 386 K N 0.204 120.540 120.400 -0.107 0.000 2.097 386 K HA 0.060 4.379 4.320 -0.001 0.000 0.205 386 K C 1.944 178.498 176.600 -0.076 0.000 1.050 386 K CA 1.506 57.703 56.287 -0.151 0.000 0.938 386 K CB -0.535 31.871 32.500 -0.156 0.000 0.718 386 K HN 0.329 nan 8.250 nan 0.000 0.442 387 A N -0.110 122.631 122.820 -0.133 0.000 1.898 387 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 387 A C 2.295 179.771 177.584 -0.180 0.000 1.181 387 A CA 1.708 53.669 52.037 -0.127 0.000 0.620 387 A CB -0.704 18.214 19.000 -0.138 0.000 0.819 387 A HN 0.106 nan 8.150 nan 0.000 0.442 388 V N -1.248 118.425 119.914 -0.402 0.000 2.358 388 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 388 V C 2.260 178.220 176.094 -0.224 0.000 1.047 388 V CA 2.073 64.108 62.300 -0.442 0.000 1.035 388 V CB -0.900 30.376 31.823 -0.911 0.000 0.658 388 V HN 0.630 nan 8.190 nan 0.000 0.452 389 F N 1.549 121.299 119.950 -0.333 0.000 2.075 389 F HA -0.211 4.316 4.527 -0.001 0.000 0.297 389 F C 2.217 177.973 175.800 -0.072 0.000 1.113 389 F CA 2.168 60.031 58.000 -0.228 0.000 1.218 389 F CB -0.369 38.493 39.000 -0.230 0.000 0.984 389 F HN 0.204 nan 8.300 nan 0.000 0.472 390 D N -0.122 120.384 120.400 0.177 0.000 2.144 390 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 390 D C 2.376 178.708 176.300 0.054 0.000 0.984 390 D CA 1.028 55.107 54.000 0.132 0.000 0.834 390 D CB -0.402 40.469 40.800 0.117 0.000 0.955 390 D HN 0.301 nan 8.370 nan 0.000 0.465 391 R N 0.186 120.709 120.500 0.037 0.000 2.073 391 R HA -0.067 4.273 4.340 -0.001 0.000 0.229 391 R C 2.088 178.450 176.300 0.102 0.000 1.120 391 R CA 0.594 56.754 56.100 0.100 0.000 0.967 391 R CB -0.006 30.367 30.300 0.122 0.000 0.862 391 R HN 0.085 nan 8.270 nan 0.000 0.436 392 I N 1.170 121.734 120.570 -0.009 0.000 2.286 392 I HA -0.226 3.944 4.170 -0.001 0.000 0.248 392 I C 2.218 178.211 176.117 -0.207 0.000 1.115 392 I CA 1.344 62.581 61.300 -0.105 0.000 1.392 392 I CB -1.187 36.698 38.000 -0.192 0.000 1.065 392 I HN 0.220 nan 8.210 nan 0.000 0.418 393 E N 1.193 121.266 120.200 -0.212 0.000 2.085 393 E HA -0.276 4.074 4.350 -0.001 0.000 0.194 393 E C 2.183 178.790 176.600 0.012 0.000 0.994 393 E CA 1.412 57.734 56.400 -0.131 0.000 0.801 393 E CB -0.528 29.122 29.700 -0.084 0.000 0.743 393 E HN 0.378 nan 8.360 nan 0.000 0.453 394 F N 0.371 120.290 119.950 -0.051 0.000 2.134 394 F HA -0.062 4.465 4.527 -0.001 0.000 0.299 394 F C 1.878 177.669 175.800 -0.015 0.000 1.097 394 F CA 1.398 59.389 58.000 -0.014 0.000 1.264 394 F CB -0.189 38.811 39.000 0.001 0.000 1.001 394 F HN 0.050 nan 8.300 nan 0.000 0.479 395 I N 0.038 120.524 120.570 -0.139 0.000 2.252 395 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 395 I C 2.548 178.539 176.117 -0.209 0.000 1.102 395 I CA 0.929 62.099 61.300 -0.218 0.000 1.385 395 I CB -0.420 37.576 38.000 -0.007 0.000 1.064 395 I HN 0.064 nan 8.210 nan 0.000 0.414 396 R N 0.595 120.974 120.500 -0.202 0.000 2.075 396 R HA -0.086 4.254 4.340 -0.001 0.000 0.232 396 R C 2.410 178.694 176.300 -0.027 0.000 1.126 396 R CA 1.819 57.815 56.100 -0.173 0.000 0.963 396 R CB -0.498 29.539 30.300 -0.438 0.000 0.858 396 R HN 0.432 nan 8.270 nan 0.000 0.435 397 S N 0.120 115.804 115.700 -0.027 0.000 2.527 397 S HA 0.074 4.543 4.470 -0.001 0.000 0.222 397 S C 0.804 175.341 174.600 -0.104 0.000 0.985 397 S CA -0.119 58.070 58.200 -0.019 0.000 0.921 397 S CB 0.052 63.255 63.200 0.006 0.000 0.772 397 S HN 0.127 nan 8.310 nan 0.000 0.529 398 N N 0.000 118.569 118.700 -0.218 0.000 1.763 398 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 398 N CA 0.000 52.888 53.050 -0.271 0.000 0.885 398 N CB 0.000 38.155 38.487 -0.553 0.000 1.341 398 N HN 0.000 nan 8.380 nan 0.000 0.667