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 3op7_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXKLPRFGVE EWLNVHENSA IYDIAGVSIS SLTLEELFAL SGTNPEDFYK DATA SEQUENCE KLQGTKLNYG WIEGSPAFKK SVSQLYTGVK PEQILQTNGA TGANLLVLYS DATA SEQUENCE LIEPGDHVIS LYPTYQQLYD IPKSLGAEVD LWQIEEENGW LPDLEKLRQL DATA SEQUENCE IRPTTKXICI NNANNPTGAV XDRTYLEELV EIASEVGAYI LSDEVYRSFS DATA SEQUENCE ELDVPSIIEV YDKGIAVNSL SXTYSLPGIR IGWVAANHQV TDILRDYRDY DATA SEQUENCE TXICAGVFDD LVAQLALAHY QEILERNRHI LEENLAILDQ WIEEEPLVSY DATA SEQUENCE IRPAVVSTSF VKIAVDXPXE DFCLQLLQEH GVLLVPGNRF ERDGYVRLGF DATA SEQUENCE ACEQETLIKG LEKLSQFLRR FD 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 0 G C 0.000 174.905 174.900 0.008 0.000 0.946 0 G CA 0.000 45.105 45.100 0.009 0.000 0.502 3 L N 2.919 124.139 121.223 -0.006 0.000 2.485 3 L HA 0.455 4.797 4.340 0.002 0.000 0.260 3 L C -2.853 174.011 176.870 -0.009 0.000 0.998 3 L CA -1.357 53.474 54.840 -0.016 0.000 0.883 3 L CB 1.488 43.534 42.059 -0.023 0.000 1.196 3 L HN -0.192 nan 8.230 nan 0.000 0.443 4 P HA 0.251 nan 4.420 nan 0.000 0.272 4 P C -0.518 176.780 177.300 -0.003 0.000 1.223 4 P CA -0.302 62.794 63.100 -0.006 0.000 0.784 4 P CB 0.511 32.206 31.700 -0.009 0.000 0.923 5 R N 0.709 121.219 120.500 0.017 0.000 2.758 5 R HA 0.039 4.381 4.340 0.002 0.000 0.263 5 R C 0.027 176.358 176.300 0.051 0.000 1.010 5 R CA 0.144 56.273 56.100 0.048 0.000 1.114 5 R CB -0.166 30.164 30.300 0.050 0.000 0.985 5 R HN 0.400 nan 8.270 nan 0.000 0.439 6 F N 1.758 121.673 119.950 -0.058 0.000 2.438 6 F HA 0.176 4.705 4.527 0.003 0.000 0.360 6 F C 1.278 177.034 175.800 -0.075 0.000 1.118 6 F CA -0.029 57.914 58.000 -0.095 0.000 1.164 6 F CB 0.870 39.804 39.000 -0.110 0.000 1.131 6 F HN 0.648 nan 8.300 nan 0.000 0.527 7 G N 4.062 112.849 108.800 -0.022 0.000 2.421 7 G HA2 -0.187 3.775 3.960 0.002 0.000 0.216 7 G HA3 -0.187 3.775 3.960 0.002 0.000 0.216 7 G C 1.527 176.462 174.900 0.059 0.000 1.171 7 G CA 0.973 46.062 45.100 -0.018 0.000 0.775 7 G HN 0.527 nan 8.290 nan 0.000 0.543 8 V N 0.790 120.739 119.914 0.058 0.000 2.343 8 V HA -0.194 3.928 4.120 0.002 0.000 0.247 8 V C 2.583 178.828 176.094 0.253 0.000 1.051 8 V CA 2.297 64.675 62.300 0.131 0.000 1.036 8 V CB -0.429 31.489 31.823 0.159 0.000 0.654 8 V HN 0.592 nan 8.190 nan 0.000 0.451 9 E N -0.006 120.345 120.200 0.252 0.000 2.058 9 E HA -0.292 4.059 4.350 0.002 0.000 0.194 9 E C 2.360 179.031 176.600 0.118 0.000 0.997 9 E CA 1.565 58.033 56.400 0.114 0.000 0.801 9 E CB -0.173 29.518 29.700 -0.016 0.000 0.746 9 E HN 0.589 nan 8.360 nan 0.000 0.450 10 E N 0.690 120.978 120.200 0.148 0.000 2.077 10 E HA -0.205 4.146 4.350 0.002 0.000 0.193 10 E C 1.802 178.485 176.600 0.138 0.000 0.989 10 E CA 1.114 57.580 56.400 0.109 0.000 0.800 10 E CB -0.537 29.232 29.700 0.115 0.000 0.746 10 E HN 0.544 nan 8.360 nan 0.000 0.452 11 W N 1.463 122.793 121.300 0.050 0.000 2.333 11 W HA -0.225 4.436 4.660 0.002 0.000 0.316 11 W C 1.973 178.562 176.519 0.117 0.000 1.215 11 W CA 1.156 58.573 57.345 0.120 0.000 1.278 11 W CB -0.508 29.029 29.460 0.128 0.000 1.154 11 W HN 0.049 nan 8.180 nan 0.000 0.486 12 L N 1.029 122.361 121.223 0.181 0.000 2.046 12 L HA -0.303 4.039 4.340 0.002 0.000 0.208 12 L C 2.410 179.232 176.870 -0.079 0.000 1.077 12 L CA 1.553 56.417 54.840 0.040 0.000 0.747 12 L CB -1.348 40.793 42.059 0.136 0.000 0.896 12 L HN -0.012 nan 8.230 nan 0.000 0.432 13 N N -0.003 118.661 118.700 -0.060 0.000 2.061 13 N HA -0.175 4.566 4.740 0.002 0.000 0.193 13 N C 1.821 177.214 175.510 -0.195 0.000 1.030 13 N CA 1.434 54.425 53.050 -0.099 0.000 0.856 13 N CB -0.549 37.896 38.487 -0.070 0.000 1.023 13 N HN 0.137 nan 8.380 nan 0.000 0.424 14 V N 0.259 119.977 119.914 -0.328 0.000 2.453 14 V HA -0.119 4.003 4.120 0.002 0.000 0.247 14 V C 1.463 177.146 176.094 -0.686 0.000 1.048 14 V CA 1.405 63.371 62.300 -0.556 0.000 1.049 14 V CB -0.343 31.008 31.823 -0.787 0.000 0.672 14 V HN 0.421 nan 8.190 nan 0.000 0.457 15 H N -1.474 117.363 119.070 -0.387 0.000 2.874 15 H HA 0.224 4.781 4.556 0.002 0.000 0.264 15 H C 2.015 177.186 175.328 -0.262 0.000 1.007 15 H CA 0.165 55.960 56.048 -0.422 0.000 1.207 15 H CB 0.610 29.892 29.762 -0.801 0.000 1.487 15 H HN 0.461 nan 8.280 nan 0.000 0.505 16 E N 1.250 121.385 120.200 -0.108 0.000 2.118 16 E HA -0.144 4.208 4.350 0.002 0.000 0.195 16 E C 1.202 177.773 176.600 -0.049 0.000 0.992 16 E CA 0.741 57.113 56.400 -0.047 0.000 0.804 16 E CB 0.268 29.950 29.700 -0.030 0.000 0.741 16 E HN 0.243 nan 8.360 nan 0.000 0.458 17 N N -0.458 118.201 118.700 -0.068 0.000 2.512 17 N HA -0.023 4.719 4.740 0.002 0.000 0.183 17 N C 1.064 176.536 175.510 -0.063 0.000 1.073 17 N CA 0.463 53.475 53.050 -0.063 0.000 0.911 17 N CB 0.242 38.688 38.487 -0.069 0.000 0.964 17 N HN -0.070 nan 8.380 nan 0.000 0.447 18 S N -0.263 115.400 115.700 -0.062 0.000 2.575 18 S HA 0.275 4.746 4.470 0.002 0.000 0.215 18 S C 0.659 175.217 174.600 -0.069 0.000 0.966 18 S CA -0.410 57.755 58.200 -0.059 0.000 0.911 18 S CB 0.213 63.391 63.200 -0.036 0.000 0.780 18 S HN 0.361 nan 8.310 nan 0.000 0.514 19 A N 1.078 123.860 122.820 -0.063 0.000 2.409 19 A HA 0.498 4.820 4.320 0.002 0.000 0.267 19 A C 0.896 178.398 177.584 -0.137 0.000 1.127 19 A CA -0.220 51.778 52.037 -0.066 0.000 0.795 19 A CB -0.088 18.899 19.000 -0.021 0.000 1.061 19 A HN 0.394 nan 8.150 nan 0.000 0.502 20 I N 0.955 121.384 120.570 -0.234 0.000 2.429 20 I HA -0.008 4.163 4.170 0.002 0.000 0.247 20 I C -0.318 175.407 176.117 -0.653 0.000 1.099 20 I CA 0.753 61.750 61.300 -0.505 0.000 1.422 20 I CB -0.006 37.570 38.000 -0.707 0.000 1.112 20 I HN 0.647 nan 8.210 nan 0.000 0.430 21 Y N 1.042 121.345 120.300 0.005 0.000 2.575 21 Y HA 0.315 4.866 4.550 0.002 0.000 0.326 21 Y C -0.459 175.449 175.900 0.013 0.000 0.979 21 Y CA -1.821 56.281 58.100 0.003 0.000 1.286 21 Y CB 0.251 38.708 38.460 -0.006 0.000 1.093 21 Y HN -0.101 nan 8.280 nan 0.000 0.501 22 D N 5.024 125.495 120.400 0.118 0.000 2.441 22 D HA 0.172 4.813 4.640 0.002 0.000 0.221 22 D C 0.375 176.735 176.300 0.100 0.000 1.156 22 D CA -0.100 53.957 54.000 0.095 0.000 0.896 22 D CB 0.388 41.225 40.800 0.062 0.000 1.028 22 D HN 0.668 nan 8.370 nan 0.000 0.509 23 I N 0.639 121.275 120.570 0.110 0.000 3.637 23 I HA 0.460 4.631 4.170 0.002 0.000 0.342 23 I C 0.788 176.976 176.117 0.118 0.000 1.545 23 I CA -0.687 60.668 61.300 0.091 0.000 1.126 23 I CB 0.820 38.854 38.000 0.057 0.000 1.375 23 I HN 0.169 nan 8.210 nan 0.000 0.467 24 A N 1.028 123.934 122.820 0.143 0.000 2.035 24 A HA 0.510 4.832 4.320 0.002 0.000 0.208 24 A C 1.509 179.190 177.584 0.162 0.000 1.206 24 A CA 0.495 52.644 52.037 0.188 0.000 0.773 24 A CB -0.445 18.712 19.000 0.263 0.000 0.878 24 A HN 0.517 nan 8.150 nan 0.000 0.469 25 G N -0.018 108.854 108.800 0.120 0.000 2.441 25 G HA2 0.391 4.352 3.960 0.002 0.000 0.243 25 G HA3 0.391 4.352 3.960 0.002 0.000 0.243 25 G C 0.406 175.346 174.900 0.067 0.000 1.281 25 G CA 0.511 45.669 45.100 0.096 0.000 0.854 25 G HN 0.939 nan 8.290 nan 0.000 0.560 26 V N -0.208 119.755 119.914 0.081 0.000 2.940 26 V HA 0.444 4.565 4.120 0.002 0.000 0.366 26 V C 0.746 176.889 176.094 0.082 0.000 1.353 26 V CA -0.199 62.136 62.300 0.057 0.000 1.232 26 V CB -0.444 31.443 31.823 0.106 0.000 1.278 26 V HN 0.545 nan 8.190 nan 0.000 0.546 27 S N 0.423 116.137 115.700 0.023 0.000 2.745 27 S HA 0.794 5.266 4.470 0.002 0.000 0.292 27 S C -0.260 174.299 174.600 -0.068 0.000 1.127 27 S CA -0.678 57.520 58.200 -0.003 0.000 1.007 27 S CB 1.412 64.609 63.200 -0.005 0.000 1.165 27 S HN 0.441 nan 8.310 nan 0.000 0.544 28 I N 1.750 122.278 120.570 -0.070 0.000 2.378 28 I HA 0.259 4.431 4.170 0.002 0.000 0.291 28 I C 0.093 176.177 176.117 -0.055 0.000 0.992 28 I CA -0.541 60.699 61.300 -0.101 0.000 1.154 28 I CB 1.828 39.755 38.000 -0.122 0.000 1.315 28 I HN 0.485 nan 8.210 nan 0.000 0.448 29 S N 3.941 119.611 115.700 -0.049 0.000 4.241 29 S HA -0.102 4.369 4.470 0.002 0.000 0.509 29 S C 0.421 175.015 174.600 -0.011 0.000 1.061 29 S CA 0.071 58.257 58.200 -0.022 0.000 1.008 29 S CB -0.441 62.749 63.200 -0.017 0.000 0.746 29 S HN 0.640 nan 8.310 nan 0.000 0.487 30 S N 3.093 118.792 115.700 -0.002 0.000 2.584 30 S HA 0.257 4.729 4.470 0.002 0.000 0.270 30 S C 0.595 175.197 174.600 0.004 0.000 1.346 30 S CA -0.603 57.600 58.200 0.006 0.000 1.018 30 S CB 0.316 63.522 63.200 0.010 0.000 0.899 30 S HN 0.506 nan 8.310 nan 0.000 0.542 31 L N 2.032 123.259 121.223 0.006 0.000 2.375 31 L HA 0.350 4.692 4.340 0.002 0.000 0.271 31 L C 1.083 177.939 176.870 -0.023 0.000 1.107 31 L CA -0.571 54.263 54.840 -0.010 0.000 0.806 31 L CB 0.954 43.005 42.059 -0.013 0.000 1.146 31 L HN 0.738 nan 8.230 nan 0.000 0.447 32 T N -0.978 113.553 114.554 -0.039 0.000 2.902 32 T HA 0.213 4.564 4.350 0.002 0.000 0.280 32 T C 0.903 175.517 174.700 -0.143 0.000 0.992 32 T CA -0.805 61.261 62.100 -0.055 0.000 1.015 32 T CB 1.300 70.148 68.868 -0.033 0.000 1.044 32 T HN 0.382 nan 8.240 nan 0.000 0.520 33 L N 0.793 121.901 121.223 -0.192 0.000 2.042 33 L HA 0.006 4.348 4.340 0.002 0.000 0.210 33 L C 2.723 179.223 176.870 -0.617 0.000 1.076 33 L CA 2.143 56.681 54.840 -0.502 0.000 0.749 33 L CB -1.276 40.537 42.059 -0.410 0.000 0.893 33 L HN 1.013 nan 8.230 nan 0.000 0.432 34 E N -0.202 119.872 120.200 -0.210 0.000 2.070 34 E HA -0.277 4.075 4.350 0.002 0.000 0.197 34 E C 1.997 178.579 176.600 -0.030 0.000 1.004 34 E CA 2.100 58.495 56.400 -0.008 0.000 0.805 34 E CB -0.184 29.547 29.700 0.052 0.000 0.744 34 E HN 0.619 nan 8.360 nan 0.000 0.451 35 E N -0.314 119.845 120.200 -0.067 0.000 2.106 35 E HA -0.162 4.190 4.350 0.002 0.000 0.192 35 E C 2.099 178.655 176.600 -0.073 0.000 0.984 35 E CA 0.944 57.318 56.400 -0.044 0.000 0.806 35 E CB -0.172 29.509 29.700 -0.033 0.000 0.750 35 E HN 0.247 nan 8.360 nan 0.000 0.458 36 L N 0.387 121.508 121.223 -0.171 0.000 2.046 36 L HA -0.145 4.196 4.340 0.002 0.000 0.208 36 L C 1.832 178.616 176.870 -0.144 0.000 1.077 36 L CA 1.603 56.328 54.840 -0.192 0.000 0.747 36 L CB -0.392 41.486 42.059 -0.302 0.000 0.896 36 L HN -0.002 nan 8.230 nan 0.000 0.432 37 F N 0.093 119.944 119.950 -0.165 0.000 2.134 37 F HA -0.139 4.390 4.527 0.003 0.000 0.299 37 F C 2.576 178.292 175.800 -0.140 0.000 1.097 37 F CA 0.965 58.855 58.000 -0.184 0.000 1.264 37 F CB -1.661 37.234 39.000 -0.175 0.000 1.001 37 F HN 0.205 nan 8.300 nan 0.000 0.479 38 A N 0.656 123.533 122.820 0.094 0.000 1.877 38 A HA -0.127 4.195 4.320 0.002 0.000 0.216 38 A C 2.114 179.695 177.584 -0.005 0.000 1.186 38 A CA 1.901 53.960 52.037 0.036 0.000 0.620 38 A CB -1.226 17.793 19.000 0.032 0.000 0.822 38 A HN 0.404 nan 8.150 nan 0.000 0.443 39 L N -0.660 120.552 121.223 -0.019 0.000 2.291 39 L HA 0.042 4.383 4.340 0.002 0.000 0.214 39 L C 1.976 178.797 176.870 -0.082 0.000 1.120 39 L CA 2.341 57.167 54.840 -0.024 0.000 0.799 39 L CB -1.047 41.013 42.059 0.003 0.000 0.925 39 L HN 0.317 nan 8.230 nan 0.000 0.446 40 S N -0.903 114.686 115.700 -0.185 0.000 2.548 40 S HA 0.361 4.832 4.470 0.002 0.000 0.215 40 S C 1.617 175.987 174.600 -0.382 0.000 0.976 40 S CA 0.121 57.999 58.200 -0.538 0.000 0.908 40 S CB -0.582 62.177 63.200 -0.735 0.000 0.781 40 S HN 0.890 nan 8.310 nan 0.000 0.519 41 G N 1.095 109.805 108.800 -0.149 0.000 2.198 41 G HA2 -0.234 3.727 3.960 0.002 0.000 0.260 41 G HA3 -0.234 3.727 3.960 0.002 0.000 0.260 41 G C 0.064 174.919 174.900 -0.075 0.000 1.025 41 G CA 0.447 45.501 45.100 -0.077 0.000 0.769 41 G HN 0.610 nan 8.290 nan 0.000 0.507 42 T N 0.522 115.023 114.554 -0.089 0.000 2.889 42 T HA 0.361 4.712 4.350 0.002 0.000 0.291 42 T C 0.551 175.124 174.700 -0.212 0.000 0.995 42 T CA -0.294 61.741 62.100 -0.108 0.000 1.092 42 T CB 1.214 70.048 68.868 -0.057 0.000 0.954 42 T HN 0.428 nan 8.240 nan 0.000 0.506 43 N N 3.500 122.072 118.700 -0.214 0.000 2.430 43 N HA 0.093 4.834 4.740 0.002 0.000 0.265 43 N C -1.953 173.263 175.510 -0.491 0.000 1.100 43 N CA -1.836 51.063 53.050 -0.252 0.000 0.961 43 N CB 1.414 39.822 38.487 -0.131 0.000 1.075 43 N HN 0.170 nan 8.380 nan 0.000 0.478 44 P HA -0.130 nan 4.420 nan 0.000 0.216 44 P C 0.930 177.941 177.300 -0.482 0.000 1.150 44 P CA 1.063 63.532 63.100 -1.052 0.000 0.837 44 P CB 0.263 31.662 31.700 -0.501 0.000 0.786 45 E N -0.427 119.694 120.200 -0.130 0.000 2.110 45 E HA -0.211 4.141 4.350 0.002 0.000 0.193 45 E C 1.353 177.969 176.600 0.026 0.000 0.988 45 E CA 1.166 57.601 56.400 0.058 0.000 0.804 45 E CB -0.262 29.466 29.700 0.046 0.000 0.745 45 E HN 0.172 nan 8.360 nan 0.000 0.458 46 D N -0.136 120.234 120.400 -0.049 0.000 2.117 46 D HA -0.159 4.483 4.640 0.002 0.000 0.198 46 D C 1.631 177.926 176.300 -0.008 0.000 0.982 46 D CA 0.696 54.684 54.000 -0.022 0.000 0.828 46 D CB -0.397 40.385 40.800 -0.031 0.000 0.967 46 D HN 0.206 nan 8.370 nan 0.000 0.464 47 F N 0.630 120.435 119.950 -0.242 0.000 2.102 47 F HA -0.258 4.270 4.527 0.002 0.000 0.298 47 F C 2.014 177.764 175.800 -0.083 0.000 1.105 47 F CA 1.316 59.193 58.000 -0.205 0.000 1.239 47 F CB -0.297 38.503 39.000 -0.333 0.000 0.991 47 F HN -0.100 nan 8.300 nan 0.000 0.474 48 Y N 0.589 121.049 120.300 0.267 0.000 2.242 48 Y HA -0.131 4.420 4.550 0.002 0.000 0.291 48 Y C 2.490 178.421 175.900 0.053 0.000 1.137 48 Y CA 1.423 59.640 58.100 0.195 0.000 1.181 48 Y CB -1.098 37.483 38.460 0.201 0.000 0.989 48 Y HN 0.073 nan 8.280 nan 0.000 0.527 49 K N 0.787 121.285 120.400 0.163 0.000 2.026 49 K HA -0.240 4.081 4.320 0.002 0.000 0.208 49 K C 2.269 178.882 176.600 0.022 0.000 1.048 49 K CA 1.771 58.105 56.287 0.079 0.000 0.929 49 K CB -0.099 32.431 32.500 0.050 0.000 0.713 49 K HN 0.186 nan 8.250 nan 0.000 0.439 50 K N 0.452 120.830 120.400 -0.036 0.000 2.026 50 K HA -0.171 4.151 4.320 0.002 0.000 0.208 50 K C 2.168 178.715 176.600 -0.088 0.000 1.048 50 K CA 1.355 57.593 56.287 -0.080 0.000 0.929 50 K CB -0.225 32.188 32.500 -0.145 0.000 0.713 50 K HN 0.128 nan 8.250 nan 0.000 0.439 51 L N 1.821 122.958 121.223 -0.143 0.000 2.012 51 L HA -0.227 4.114 4.340 0.002 0.000 0.210 51 L C 2.470 179.363 176.870 0.038 0.000 1.073 51 L CA 1.992 56.798 54.840 -0.057 0.000 0.748 51 L CB -0.748 41.330 42.059 0.031 0.000 0.891 51 L HN 0.378 nan 8.230 nan 0.000 0.431 52 Q N -0.933 118.907 119.800 0.068 0.000 2.170 52 Q HA -0.124 4.217 4.340 0.002 0.000 0.203 52 Q C 1.694 177.711 176.000 0.028 0.000 0.976 52 Q CA 1.524 57.364 55.803 0.061 0.000 0.858 52 Q CB -0.358 28.423 28.738 0.071 0.000 0.907 52 Q HN 0.625 nan 8.270 nan 0.000 0.433 53 G N -0.618 108.192 108.800 0.016 0.000 3.088 53 G HA2 0.079 4.040 3.960 0.002 0.000 0.217 53 G HA3 0.079 4.040 3.960 0.002 0.000 0.217 53 G C -0.139 174.758 174.900 -0.005 0.000 1.159 53 G CA -0.100 45.002 45.100 0.004 0.000 0.760 53 G HN 0.146 nan 8.290 nan 0.000 0.550 54 T N 1.835 116.387 114.554 -0.004 0.000 2.780 54 T HA 0.261 4.613 4.350 0.002 0.000 0.294 54 T C 0.299 174.989 174.700 -0.017 0.000 0.949 54 T CA -0.205 61.887 62.100 -0.013 0.000 1.074 54 T CB 1.341 70.205 68.868 -0.006 0.000 0.910 54 T HN 0.112 nan 8.240 nan 0.000 0.501 55 K N 2.866 123.245 120.400 -0.035 0.000 2.451 55 K HA 0.095 4.416 4.320 0.002 0.000 0.280 55 K C 0.225 176.796 176.600 -0.048 0.000 1.020 55 K CA -0.011 56.250 56.287 -0.043 0.000 1.008 55 K CB 0.330 32.797 32.500 -0.056 0.000 0.917 55 K HN 0.528 nan 8.250 nan 0.000 0.478 56 L N 4.819 126.013 121.223 -0.049 0.000 2.796 56 L HA 0.020 4.361 4.340 0.002 0.000 0.235 56 L C 0.477 177.277 176.870 -0.117 0.000 1.344 56 L CA -0.679 54.124 54.840 -0.061 0.000 1.245 56 L CB -1.244 40.786 42.059 -0.048 0.000 1.556 56 L HN 0.655 nan 8.230 nan 0.000 0.423 57 N N -1.508 117.124 118.700 -0.114 0.000 2.385 57 N HA -0.044 4.698 4.740 0.002 0.000 0.291 57 N C 0.783 176.179 175.510 -0.191 0.000 1.298 57 N CA -0.070 52.892 53.050 -0.148 0.000 0.955 57 N CB 0.075 38.523 38.487 -0.064 0.000 1.096 57 N HN 0.003 nan 8.380 nan 0.000 0.543 58 Y N -0.894 119.377 120.300 -0.047 0.000 2.497 58 Y HA 0.089 4.641 4.550 0.003 0.000 0.292 58 Y C 1.994 177.866 175.900 -0.047 0.000 1.137 58 Y CA 1.153 59.232 58.100 -0.035 0.000 1.285 58 Y CB -0.753 37.689 38.460 -0.031 0.000 0.991 58 Y HN 0.839 nan 8.280 nan 0.000 0.556 59 G N -0.344 108.455 108.800 -0.002 0.000 2.547 59 G HA2 -0.343 3.618 3.960 0.002 0.000 0.271 59 G HA3 -0.343 3.618 3.960 0.002 0.000 0.271 59 G C -0.670 174.139 174.900 -0.153 0.000 1.209 59 G CA -0.143 44.878 45.100 -0.131 0.000 0.959 59 G HN 0.344 nan 8.290 nan 0.000 0.563 60 W N 1.324 122.639 121.300 0.025 0.000 2.507 60 W HA 0.542 5.203 4.660 0.002 0.000 0.334 60 W C 1.667 178.196 176.519 0.016 0.000 1.165 60 W CA -0.972 56.383 57.345 0.015 0.000 1.460 60 W CB 0.287 29.744 29.460 -0.004 0.000 1.404 60 W HN 0.359 nan 8.180 nan 0.000 0.435 61 I N 2.267 122.972 120.570 0.225 0.000 2.208 61 I HA -0.241 3.931 4.170 0.002 0.000 0.245 61 I C 1.532 177.732 176.117 0.139 0.000 1.097 61 I CA 1.760 63.146 61.300 0.144 0.000 1.363 61 I CB -0.581 37.468 38.000 0.082 0.000 1.051 61 I HN 0.481 nan 8.210 nan 0.000 0.413 62 E N 0.134 120.434 120.200 0.168 0.000 2.501 62 E HA 0.365 4.717 4.350 0.002 0.000 0.201 62 E C 0.524 177.185 176.600 0.101 0.000 1.016 62 E CA 0.178 56.654 56.400 0.126 0.000 0.920 62 E CB 0.458 30.231 29.700 0.122 0.000 1.023 62 E HN 0.489 nan 8.360 nan 0.000 0.474 63 G N 1.892 110.737 108.800 0.075 0.000 2.675 63 G HA2 -0.202 3.759 3.960 0.002 0.000 0.686 63 G HA3 -0.202 3.759 3.960 0.002 0.000 0.686 63 G C 0.004 174.830 174.900 -0.123 0.000 1.215 63 G CA -0.419 44.631 45.100 -0.084 0.000 0.777 63 G HN 0.193 nan 8.290 nan 0.000 0.638 64 S N 1.534 116.993 115.700 -0.401 0.000 2.589 64 S HA 0.557 5.028 4.470 0.002 0.000 0.265 64 S C -0.955 173.244 174.600 -0.669 0.000 1.342 64 S CA -0.216 57.310 58.200 -1.124 0.000 1.005 64 S CB 1.607 64.273 63.200 -0.890 0.000 0.909 64 S HN 0.446 nan 8.310 nan 0.000 0.555 65 P HA -0.006 nan 4.420 nan 0.000 0.218 65 P C 1.510 178.649 177.300 -0.268 0.000 1.149 65 P CA 1.713 64.560 63.100 -0.421 0.000 0.817 65 P CB -0.223 31.247 31.700 -0.383 0.000 0.785 66 A N -1.123 121.541 122.820 -0.260 0.000 1.898 66 A HA -0.182 4.139 4.320 0.002 0.000 0.216 66 A C 2.091 179.589 177.584 -0.144 0.000 1.181 66 A CA 1.189 53.129 52.037 -0.162 0.000 0.620 66 A CB -1.803 17.129 19.000 -0.113 0.000 0.819 66 A HN 0.144 nan 8.150 nan 0.000 0.442 67 F N 0.961 120.751 119.950 -0.266 0.000 2.069 67 F HA -0.203 4.325 4.527 0.002 0.000 0.298 67 F C 2.182 177.810 175.800 -0.288 0.000 1.113 67 F CA 2.343 60.191 58.000 -0.253 0.000 1.214 67 F CB -0.193 38.679 39.000 -0.213 0.000 0.978 67 F HN 0.119 nan 8.300 nan 0.000 0.474 68 K N -0.095 120.192 120.400 -0.189 0.000 2.057 68 K HA -0.226 4.095 4.320 0.002 0.000 0.207 68 K C 2.111 178.507 176.600 -0.340 0.000 1.049 68 K CA 1.663 57.779 56.287 -0.284 0.000 0.931 68 K CB -0.286 32.146 32.500 -0.113 0.000 0.714 68 K HN 0.079 nan 8.250 nan 0.000 0.440 69 K N 1.144 121.387 120.400 -0.262 0.000 2.026 69 K HA -0.054 4.268 4.320 0.002 0.000 0.208 69 K C 2.072 178.503 176.600 -0.282 0.000 1.048 69 K CA 1.775 57.927 56.287 -0.224 0.000 0.929 69 K CB -0.327 32.074 32.500 -0.166 0.000 0.713 69 K HN -0.065 nan 8.250 nan 0.000 0.439 70 S N -0.197 115.302 115.700 -0.336 0.000 2.368 70 S HA -0.106 4.365 4.470 0.002 0.000 0.225 70 S C 1.951 176.233 174.600 -0.529 0.000 1.030 70 S CA 1.300 59.280 58.200 -0.367 0.000 0.999 70 S CB -0.337 62.660 63.200 -0.338 0.000 0.844 70 S HN 0.129 nan 8.310 nan 0.000 0.459 71 V N 2.494 121.947 119.914 -0.769 0.000 2.295 71 V HA -0.198 3.923 4.120 0.002 0.000 0.246 71 V C 2.748 178.553 176.094 -0.482 0.000 1.049 71 V CA 2.009 63.735 62.300 -0.958 0.000 1.024 71 V CB -1.179 29.702 31.823 -1.570 0.000 0.648 71 V HN 0.721 nan 8.190 nan 0.000 0.447 72 S N -0.034 115.454 115.700 -0.354 0.000 2.387 72 S HA -0.349 4.122 4.470 0.002 0.000 0.230 72 S C 1.856 176.426 174.600 -0.050 0.000 1.035 72 S CA 1.992 60.110 58.200 -0.137 0.000 1.014 72 S CB -0.601 62.501 63.200 -0.163 0.000 0.836 72 S HN 0.722 nan 8.310 nan 0.000 0.466 73 Q N 0.458 120.161 119.800 -0.161 0.000 2.436 73 Q HA 0.224 4.566 4.340 0.002 0.000 0.209 73 Q C 1.928 177.812 176.000 -0.192 0.000 0.965 73 Q CA 0.715 56.434 55.803 -0.140 0.000 0.910 73 Q CB -0.373 28.275 28.738 -0.149 0.000 0.980 73 Q HN 0.609 nan 8.270 nan 0.000 0.491 74 L N -0.527 120.499 121.223 -0.328 0.000 2.376 74 L HA -0.053 4.289 4.340 0.002 0.000 0.219 74 L C 0.134 176.710 176.870 -0.489 0.000 1.133 74 L CA 0.537 55.067 54.840 -0.516 0.000 0.816 74 L CB -0.064 41.559 42.059 -0.727 0.000 0.933 74 L HN 0.146 nan 8.230 nan 0.000 0.449 75 Y N -1.288 118.942 120.300 -0.116 0.000 2.621 75 Y HA 0.354 4.906 4.550 0.003 0.000 0.334 75 Y C 0.603 176.475 175.900 -0.047 0.000 1.074 75 Y CA -1.101 56.964 58.100 -0.058 0.000 1.149 75 Y CB 1.138 39.568 38.460 -0.050 0.000 1.302 75 Y HN -0.323 nan 8.280 nan 0.000 0.501 76 T N 0.719 115.370 114.554 0.162 0.000 2.845 76 T HA 0.430 4.781 4.350 0.002 0.000 0.288 76 T C 0.692 175.442 174.700 0.082 0.000 0.980 76 T CA 0.072 62.227 62.100 0.090 0.000 1.071 76 T CB 0.803 69.711 68.868 0.067 0.000 0.941 76 T HN 1.053 nan 8.240 nan 0.000 0.487 77 G N 1.776 110.604 108.800 0.046 0.000 2.198 77 G HA2 -0.187 3.774 3.960 0.002 0.000 0.260 77 G HA3 -0.187 3.774 3.960 0.002 0.000 0.260 77 G C -0.049 174.850 174.900 -0.002 0.000 1.025 77 G CA -0.019 45.097 45.100 0.026 0.000 0.769 77 G HN 0.776 nan 8.290 nan 0.000 0.507 78 V N 0.088 119.992 119.914 -0.017 0.000 2.487 78 V HA 0.485 4.607 4.120 0.002 0.000 0.298 78 V C 0.438 176.485 176.094 -0.077 0.000 1.028 78 V CA -1.013 61.231 62.300 -0.094 0.000 0.860 78 V CB 1.808 33.501 31.823 -0.216 0.000 0.991 78 V HN 0.333 nan 8.190 nan 0.000 0.427 79 K N 5.002 125.355 120.400 -0.078 0.000 2.118 79 K HA 0.383 4.704 4.320 0.002 0.000 0.264 79 K C -1.725 174.821 176.600 -0.091 0.000 1.000 79 K CA -1.644 54.616 56.287 -0.045 0.000 0.929 79 K CB 1.257 33.786 32.500 0.047 0.000 1.021 79 K HN 0.278 nan 8.250 nan 0.000 0.463 80 P HA -0.259 nan 4.420 nan 0.000 0.216 80 P C 0.751 178.004 177.300 -0.079 0.000 1.150 80 P CA 1.385 64.421 63.100 -0.108 0.000 0.843 80 P CB 0.051 31.695 31.700 -0.093 0.000 0.787 81 E N 0.287 120.471 120.200 -0.027 0.000 2.401 81 E HA -0.215 4.136 4.350 0.002 0.000 0.199 81 E C 1.335 177.902 176.600 -0.055 0.000 1.023 81 E CA 0.848 57.253 56.400 0.008 0.000 0.859 81 E CB -0.812 28.950 29.700 0.104 0.000 0.780 81 E HN 0.389 nan 8.360 nan 0.000 0.523 82 Q N 0.255 119.959 119.800 -0.159 0.000 2.365 82 Q HA 0.144 4.486 4.340 0.002 0.000 0.203 82 Q C -0.219 175.696 176.000 -0.141 0.000 0.929 82 Q CA -0.010 55.649 55.803 -0.240 0.000 0.948 82 Q CB 0.518 29.042 28.738 -0.357 0.000 1.043 82 Q HN 0.286 nan 8.270 nan 0.000 0.505 83 I N 1.437 121.953 120.570 -0.090 0.000 2.378 83 I HA 0.330 4.502 4.170 0.002 0.000 0.291 83 I C -0.450 175.713 176.117 0.076 0.000 0.992 83 I CA -0.666 60.612 61.300 -0.037 0.000 1.154 83 I CB 1.342 39.246 38.000 -0.160 0.000 1.315 83 I HN 0.024 nan 8.210 nan 0.000 0.448 84 L N 5.403 126.724 121.223 0.163 0.000 2.356 84 L HA 0.436 4.777 4.340 0.002 0.000 0.277 84 L C 0.220 177.282 176.870 0.320 0.000 0.996 84 L CA -0.605 54.354 54.840 0.198 0.000 0.822 84 L CB 1.985 44.127 42.059 0.139 0.000 1.256 84 L HN 0.579 nan 8.230 nan 0.000 0.413 85 Q N 2.104 122.081 119.800 0.295 0.000 2.364 85 Q HA 0.342 4.683 4.340 0.002 0.000 0.267 85 Q C -0.437 175.643 176.000 0.134 0.000 0.999 85 Q CA 0.031 55.951 55.803 0.195 0.000 0.886 85 Q CB 1.094 29.691 28.738 -0.235 0.000 1.243 85 Q HN 0.733 nan 8.270 nan 0.000 0.415 86 T N -0.103 114.535 114.554 0.140 0.000 2.865 86 T HA 0.318 4.669 4.350 0.002 0.000 0.294 86 T C -0.410 174.331 174.700 0.068 0.000 1.119 86 T CA -1.167 60.992 62.100 0.100 0.000 1.007 86 T CB 0.826 69.757 68.868 0.106 0.000 1.225 86 T HN 0.730 nan 8.240 nan 0.000 0.515 87 N N 1.134 119.869 118.700 0.059 0.000 2.671 87 N HA 0.399 5.140 4.740 0.002 0.000 0.274 87 N C 0.807 176.337 175.510 0.034 0.000 1.188 87 N CA 0.403 53.481 53.050 0.047 0.000 1.065 87 N CB -0.800 37.715 38.487 0.047 0.000 1.415 87 N HN 1.479 nan 8.380 nan 0.000 0.511 88 G N 0.665 109.484 108.800 0.032 0.000 2.846 88 G HA2 -0.091 3.871 3.960 0.002 0.000 0.660 88 G HA3 -0.091 3.871 3.960 0.002 0.000 0.660 88 G C 0.762 175.639 174.900 -0.038 0.000 1.464 88 G CA -0.032 45.066 45.100 -0.003 0.000 0.891 88 G HN 0.872 nan 8.290 nan 0.000 0.552 89 A N -0.622 122.132 122.820 -0.110 0.000 2.024 89 A HA 0.050 4.371 4.320 0.002 0.000 0.220 89 A C 2.653 180.199 177.584 -0.062 0.000 1.164 89 A CA 3.026 54.975 52.037 -0.147 0.000 0.643 89 A CB -0.921 17.932 19.000 -0.244 0.000 0.806 89 A HN 1.608 nan 8.150 nan 0.000 0.451 90 T N -0.158 114.382 114.554 -0.024 0.000 2.607 90 T HA -0.132 4.219 4.350 0.002 0.000 0.267 90 T C 1.978 176.702 174.700 0.040 0.000 1.049 90 T CA 1.782 63.906 62.100 0.040 0.000 1.162 90 T CB -0.753 68.132 68.868 0.028 0.000 0.863 90 T HN 0.603 nan 8.240 nan 0.000 0.424 91 G N 0.649 109.467 108.800 0.031 0.000 2.422 91 G HA2 0.041 4.003 3.960 0.002 0.000 0.218 91 G HA3 0.041 4.003 3.960 0.002 0.000 0.218 91 G C 1.769 176.702 174.900 0.055 0.000 1.140 91 G CA 0.899 46.029 45.100 0.050 0.000 0.775 91 G HN 0.595 nan 8.290 nan 0.000 0.545 92 A N 1.381 124.221 122.820 0.033 0.000 1.872 92 A HA -0.047 4.274 4.320 0.002 0.000 0.214 92 A C 2.302 179.901 177.584 0.025 0.000 1.187 92 A CA 1.687 53.741 52.037 0.029 0.000 0.614 92 A CB -0.441 18.553 19.000 -0.011 0.000 0.826 92 A HN 0.311 nan 8.150 nan 0.000 0.442 93 N N -0.033 118.679 118.700 0.021 0.000 2.069 93 N HA -0.162 4.579 4.740 0.002 0.000 0.191 93 N C 1.632 177.170 175.510 0.046 0.000 1.031 93 N CA 1.622 54.695 53.050 0.038 0.000 0.852 93 N CB -0.614 37.918 38.487 0.074 0.000 1.018 93 N HN 0.407 nan 8.380 nan 0.000 0.423 94 L N 1.044 122.299 121.223 0.054 0.000 2.017 94 L HA -0.058 4.284 4.340 0.002 0.000 0.208 94 L C 2.106 179.033 176.870 0.094 0.000 1.073 94 L CA 1.247 56.117 54.840 0.051 0.000 0.745 94 L CB -0.976 41.105 42.059 0.037 0.000 0.894 94 L HN 0.100 nan 8.230 nan 0.000 0.432 95 L N -1.171 120.112 121.223 0.100 0.000 2.042 95 L HA -0.163 4.178 4.340 0.002 0.000 0.210 95 L C 2.381 179.284 176.870 0.054 0.000 1.076 95 L CA 1.895 56.807 54.840 0.119 0.000 0.749 95 L CB -0.761 41.364 42.059 0.111 0.000 0.893 95 L HN 0.134 nan 8.230 nan 0.000 0.432 96 V N -0.356 119.569 119.914 0.020 0.000 2.261 96 V HA -0.318 3.803 4.120 0.002 0.000 0.246 96 V C 2.543 178.607 176.094 -0.051 0.000 1.047 96 V CA 2.237 64.513 62.300 -0.042 0.000 1.015 96 V CB -0.581 31.213 31.823 -0.049 0.000 0.642 96 V HN 0.450 nan 8.190 nan 0.000 0.446 97 L N -1.697 119.528 121.223 0.002 0.000 2.056 97 L HA -0.168 4.173 4.340 0.002 0.000 0.207 97 L C 2.533 179.434 176.870 0.053 0.000 1.078 97 L CA 1.617 56.467 54.840 0.016 0.000 0.749 97 L CB -0.716 41.361 42.059 0.029 0.000 0.901 97 L HN 0.316 nan 8.230 nan 0.000 0.433 98 Y N 0.560 120.799 120.300 -0.103 0.000 2.242 98 Y HA -0.198 4.353 4.550 0.001 0.000 0.291 98 Y C 2.785 178.521 175.900 -0.273 0.000 1.137 98 Y CA 1.039 59.053 58.100 -0.144 0.000 1.181 98 Y CB -0.314 38.086 38.460 -0.100 0.000 0.989 98 Y HN 0.090 nan 8.280 nan 0.000 0.527 99 S N -0.289 115.232 115.700 -0.298 0.000 2.371 99 S HA -0.064 4.407 4.470 0.002 0.000 0.224 99 S C 1.994 176.296 174.600 -0.496 0.000 1.029 99 S CA 1.409 59.183 58.200 -0.710 0.000 0.978 99 S CB -0.201 62.711 63.200 -0.480 0.000 0.833 99 S HN 0.395 nan 8.310 nan 0.000 0.466 100 L N 0.370 121.443 121.223 -0.250 0.000 2.515 100 L HA 0.257 4.599 4.340 0.002 0.000 0.223 100 L C -0.206 176.631 176.870 -0.054 0.000 1.079 100 L CA 0.069 54.821 54.840 -0.146 0.000 0.857 100 L CB 0.097 42.053 42.059 -0.172 0.000 1.050 100 L HN 0.198 nan 8.230 nan 0.000 0.476 101 I N 1.231 121.774 120.570 -0.045 0.000 2.342 101 I HA 0.186 4.357 4.170 0.002 0.000 0.291 101 I C 0.246 176.362 176.117 -0.003 0.000 1.010 101 I CA -0.031 61.272 61.300 0.006 0.000 1.308 101 I CB 1.006 39.021 38.000 0.025 0.000 1.400 101 I HN 0.119 nan 8.210 nan 0.000 0.488 102 E N 7.269 127.478 120.200 0.015 0.000 2.221 102 E HA 0.450 4.801 4.350 0.002 0.000 0.268 102 E C -2.459 174.156 176.600 0.026 0.000 0.933 102 E CA -2.011 54.397 56.400 0.012 0.000 0.809 102 E CB 1.186 30.896 29.700 0.016 0.000 1.190 102 E HN 0.217 nan 8.360 nan 0.000 0.406 103 P HA -0.023 nan 4.420 nan 0.000 0.264 103 P C 0.780 178.099 177.300 0.031 0.000 1.183 103 P CA 1.163 64.280 63.100 0.028 0.000 0.763 103 P CB 0.312 32.026 31.700 0.024 0.000 0.807 104 G N 2.015 110.837 108.800 0.037 0.000 2.253 104 G HA2 -0.223 3.738 3.960 0.002 0.000 0.251 104 G HA3 -0.223 3.738 3.960 0.002 0.000 0.251 104 G C 0.065 174.999 174.900 0.058 0.000 0.998 104 G CA -0.144 44.980 45.100 0.041 0.000 0.621 104 G HN 0.512 nan 8.290 nan 0.000 0.524 105 D N 0.754 121.190 120.400 0.060 0.000 2.472 105 D HA 0.277 4.918 4.640 0.002 0.000 0.237 105 D C 0.597 176.966 176.300 0.116 0.000 1.141 105 D CA 0.226 54.273 54.000 0.078 0.000 0.875 105 D CB 0.215 41.053 40.800 0.064 0.000 1.192 105 D HN 0.465 nan 8.370 nan 0.000 0.450 106 H N 1.517 120.599 119.070 0.020 0.000 2.527 106 H HA 0.439 4.997 4.556 0.003 0.000 0.321 106 H C -1.156 174.190 175.328 0.030 0.000 1.087 106 H CA -0.610 55.449 56.048 0.017 0.000 1.337 106 H CB 0.696 30.459 29.762 0.003 0.000 1.440 106 H HN 0.006 nan 8.280 nan 0.000 0.490 107 V N 7.316 126.992 119.914 -0.396 0.000 2.709 107 V HA 0.298 4.419 4.120 0.002 0.000 0.308 107 V C -0.137 175.736 176.094 -0.368 0.000 1.062 107 V CA -0.736 61.398 62.300 -0.276 0.000 0.901 107 V CB 2.154 33.937 31.823 -0.066 0.000 1.003 107 V HN 0.658 nan 8.190 nan 0.000 0.425 108 I N 2.874 123.302 120.570 -0.237 0.000 2.406 108 I HA 0.554 4.726 4.170 0.002 0.000 0.290 108 I C -0.107 176.049 176.117 0.065 0.000 0.999 108 I CA -0.207 61.026 61.300 -0.112 0.000 1.124 108 I CB 2.002 39.915 38.000 -0.145 0.000 1.289 108 I HN 0.602 nan 8.210 nan 0.000 0.441 109 S N 6.240 122.032 115.700 0.153 0.000 2.502 109 S HA 0.496 4.968 4.470 0.002 0.000 0.304 109 S C -0.594 174.210 174.600 0.340 0.000 1.097 109 S CA -0.637 57.716 58.200 0.255 0.000 1.045 109 S CB 1.191 64.563 63.200 0.286 0.000 1.019 109 S HN 0.464 nan 8.310 nan 0.000 0.481 110 L N 4.910 126.353 121.223 0.368 0.000 2.554 110 L HA 0.270 4.611 4.340 0.002 0.000 0.293 110 L C -0.994 176.015 176.870 0.233 0.000 1.252 110 L CA 1.143 56.134 54.840 0.252 0.000 0.862 110 L CB -0.067 42.069 42.059 0.129 0.000 1.113 110 L HN 0.751 nan 8.230 nan 0.000 0.510 111 Y N 5.235 125.513 120.300 -0.036 0.000 2.436 111 Y HA 0.457 5.009 4.550 0.004 0.000 0.327 111 Y C -2.572 173.257 175.900 -0.119 0.000 1.138 111 Y CA -1.958 56.076 58.100 -0.110 0.000 1.042 111 Y CB 1.537 39.898 38.460 -0.166 0.000 1.302 111 Y HN 0.548 nan 8.280 nan 0.000 0.439 112 P HA 0.260 nan 4.420 nan 0.000 0.269 112 P C -0.585 176.482 177.300 -0.388 0.000 1.215 112 P CA 0.311 62.836 63.100 -0.957 0.000 0.780 112 P CB 1.483 32.763 31.700 -0.700 0.000 0.898 113 T N 0.100 114.583 114.554 -0.118 0.000 2.648 113 T HA 0.259 4.611 4.350 0.002 0.000 0.304 113 T C -1.477 173.349 174.700 0.210 0.000 1.312 113 T CA -0.508 61.623 62.100 0.052 0.000 1.023 113 T CB -0.244 68.711 68.868 0.144 0.000 1.612 113 T HN 0.117 nan 8.240 nan 0.000 0.487 114 Y N 2.462 122.809 120.300 0.079 0.000 2.721 114 Y HA 0.156 4.708 4.550 0.003 0.000 0.329 114 Y C 1.860 177.704 175.900 -0.092 0.000 1.211 114 Y CA 0.696 58.838 58.100 0.070 0.000 1.512 114 Y CB 0.763 39.279 38.460 0.094 0.000 1.249 114 Y HN 0.721 nan 8.280 nan 0.000 0.549 115 Q N 3.041 122.415 119.800 -0.710 0.000 2.226 115 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 115 Q C 1.638 177.042 176.000 -0.994 0.000 0.975 115 Q CA 1.761 56.889 55.803 -1.125 0.000 0.866 115 Q CB 0.104 27.953 28.738 -1.480 0.000 0.915 115 Q HN 0.913 nan 8.270 nan 0.000 0.440 116 Q N -0.026 119.473 119.800 -0.501 0.000 2.152 116 Q HA -0.197 4.145 4.340 0.002 0.000 0.206 116 Q C 2.056 177.949 176.000 -0.179 0.000 0.985 116 Q CA 1.472 57.174 55.803 -0.167 0.000 0.863 116 Q CB -0.117 28.699 28.738 0.131 0.000 0.904 116 Q HN 0.469 nan 8.270 nan 0.000 0.422 117 L N -0.447 120.697 121.223 -0.133 0.000 2.275 117 L HA -0.154 4.188 4.340 0.002 0.000 0.215 117 L C 1.951 178.857 176.870 0.059 0.000 1.119 117 L CA 0.959 55.813 54.840 0.023 0.000 0.790 117 L CB -0.296 41.851 42.059 0.147 0.000 0.919 117 L HN 0.396 nan 8.230 nan 0.000 0.443 118 Y N -3.910 116.415 120.300 0.042 0.000 2.581 118 Y HA 0.234 4.785 4.550 0.002 0.000 0.271 118 Y C 1.820 177.716 175.900 -0.007 0.000 1.100 118 Y CA -0.421 57.698 58.100 0.032 0.000 1.281 118 Y CB -0.515 37.990 38.460 0.075 0.000 1.237 118 Y HN -0.114 nan 8.280 nan 0.000 0.514 119 D N 1.267 121.499 120.400 -0.280 0.000 2.194 119 D HA -0.005 4.637 4.640 0.002 0.000 0.204 119 D C 2.040 178.284 176.300 -0.093 0.000 0.964 119 D CA 1.055 54.972 54.000 -0.137 0.000 0.846 119 D CB 0.087 40.742 40.800 -0.242 0.000 0.962 119 D HN 0.422 nan 8.370 nan 0.000 0.490 120 I N 1.697 122.201 120.570 -0.110 0.000 2.142 120 I HA -0.189 3.983 4.170 0.002 0.000 0.240 120 I C -0.664 175.439 176.117 -0.024 0.000 1.078 120 I CA 1.120 62.381 61.300 -0.065 0.000 1.343 120 I CB -1.329 36.636 38.000 -0.058 0.000 1.046 120 I HN 0.007 nan 8.210 nan 0.000 0.405 121 P HA -0.161 nan 4.420 nan 0.000 0.217 121 P C 1.404 178.719 177.300 0.026 0.000 1.150 121 P CA 1.475 64.589 63.100 0.024 0.000 0.832 121 P CB -0.145 31.577 31.700 0.036 0.000 0.787 122 K N 0.306 120.724 120.400 0.029 0.000 2.063 122 K HA -0.124 4.198 4.320 0.002 0.000 0.208 122 K C 2.302 178.912 176.600 0.017 0.000 1.048 122 K CA 2.147 58.451 56.287 0.029 0.000 0.928 122 K CB -0.624 31.899 32.500 0.038 0.000 0.713 122 K HN 0.234 nan 8.250 nan 0.000 0.442 123 S N 0.886 116.586 115.700 0.001 0.000 2.442 123 S HA -0.077 4.395 4.470 0.002 0.000 0.236 123 S C 1.725 176.328 174.600 0.005 0.000 1.007 123 S CA 0.797 58.993 58.200 -0.007 0.000 0.965 123 S CB -0.304 62.876 63.200 -0.035 0.000 0.773 123 S HN 0.232 nan 8.310 nan 0.000 0.504 124 L N 0.796 122.030 121.223 0.018 0.000 2.611 124 L HA 0.377 4.719 4.340 0.002 0.000 0.229 124 L C 1.725 178.617 176.870 0.036 0.000 1.137 124 L CA 0.293 55.158 54.840 0.041 0.000 0.901 124 L CB -0.397 41.701 42.059 0.065 0.000 1.098 124 L HN 0.583 nan 8.230 nan 0.000 0.456 125 G N 0.100 108.918 108.800 0.030 0.000 2.141 125 G HA2 -0.233 3.728 3.960 0.002 0.000 0.231 125 G HA3 -0.233 3.728 3.960 0.002 0.000 0.231 125 G C 0.374 175.295 174.900 0.035 0.000 0.984 125 G CA -0.058 45.060 45.100 0.030 0.000 0.660 125 G HN 0.465 nan 8.290 nan 0.000 0.525 126 A N -0.106 122.737 122.820 0.037 0.000 2.386 126 A HA 0.617 4.938 4.320 0.002 0.000 0.248 126 A C 0.480 178.095 177.584 0.052 0.000 1.082 126 A CA 0.546 52.610 52.037 0.045 0.000 0.789 126 A CB 0.440 19.463 19.000 0.038 0.000 1.025 126 A HN 0.643 nan 8.150 nan 0.000 0.490 127 E N 1.412 121.659 120.200 0.077 0.000 2.130 127 E HA 0.452 4.803 4.350 0.002 0.000 0.284 127 E C -1.375 175.284 176.600 0.099 0.000 1.018 127 E CA -0.329 56.133 56.400 0.102 0.000 0.817 127 E CB 0.647 30.435 29.700 0.146 0.000 1.078 127 E HN 0.351 nan 8.360 nan 0.000 0.396 128 V N 5.463 125.409 119.914 0.054 0.000 2.357 128 V HA 0.221 4.342 4.120 0.002 0.000 0.284 128 V C -0.197 175.901 176.094 0.007 0.000 1.018 128 V CA -0.855 61.450 62.300 0.007 0.000 0.841 128 V CB 1.546 33.386 31.823 0.029 0.000 0.991 128 V HN 0.720 nan 8.190 nan 0.000 0.437 129 D N 3.945 124.341 120.400 -0.007 0.000 2.193 129 D HA 0.537 5.178 4.640 0.002 0.000 0.249 129 D C -0.431 175.873 176.300 0.007 0.000 1.034 129 D CA -0.193 53.823 54.000 0.027 0.000 0.902 129 D CB 2.363 43.236 40.800 0.122 0.000 1.182 129 D HN 0.329 nan 8.370 nan 0.000 0.436 130 L N 1.833 123.048 121.223 -0.014 0.000 2.272 130 L HA 0.300 4.642 4.340 0.002 0.000 0.289 130 L C -0.537 176.447 176.870 0.189 0.000 1.032 130 L CA -0.938 53.900 54.840 -0.004 0.000 0.810 130 L CB 1.395 43.272 42.059 -0.304 0.000 1.205 130 L HN 0.292 nan 8.230 nan 0.000 0.422 131 W N 4.933 126.263 121.300 0.050 0.000 2.288 131 W HA 0.290 4.952 4.660 0.003 0.000 0.325 131 W C -0.334 176.252 176.519 0.113 0.000 1.019 131 W CA -0.826 56.565 57.345 0.076 0.000 1.403 131 W CB 0.712 30.221 29.460 0.080 0.000 1.226 131 W HN 0.416 nan 8.180 nan 0.000 0.391 132 Q N 6.899 126.798 119.800 0.166 0.000 2.288 132 Q HA 0.209 4.551 4.340 0.002 0.000 0.258 132 Q C 0.653 176.618 176.000 -0.059 0.000 0.957 132 Q CA -0.429 55.425 55.803 0.087 0.000 0.919 132 Q CB 1.440 30.256 28.738 0.129 0.000 1.185 132 Q HN 0.732 nan 8.270 nan 0.000 0.408 133 I N -0.836 119.703 120.570 -0.052 0.000 2.696 133 I HA 0.191 4.362 4.170 0.002 0.000 0.284 133 I C -0.279 175.885 176.117 0.078 0.000 1.129 133 I CA -0.097 61.184 61.300 -0.033 0.000 1.410 133 I CB 0.549 38.560 38.000 0.019 0.000 1.399 133 I HN 0.423 nan 8.210 nan 0.000 0.579 134 E N 4.120 124.334 120.200 0.023 0.000 2.220 134 E HA 0.112 4.464 4.350 0.002 0.000 0.256 134 E C 0.143 176.572 176.600 -0.285 0.000 0.881 134 E CA -0.391 55.966 56.400 -0.072 0.000 0.766 134 E CB 1.970 31.634 29.700 -0.061 0.000 1.187 134 E HN 0.746 nan 8.360 nan 0.000 0.419 135 E N 3.097 122.931 120.200 -0.610 0.000 2.153 135 E HA -0.267 4.085 4.350 0.002 0.000 0.194 135 E C 1.743 177.955 176.600 -0.647 0.000 0.988 135 E CA 1.659 57.305 56.400 -1.257 0.000 0.811 135 E CB 0.296 29.189 29.700 -1.346 0.000 0.746 135 E HN 0.652 nan 8.360 nan 0.000 0.466 136 E N 0.750 120.735 120.200 -0.358 0.000 2.338 136 E HA -0.127 4.225 4.350 0.002 0.000 0.197 136 E C 0.811 177.304 176.600 -0.177 0.000 1.007 136 E CA 1.322 57.590 56.400 -0.219 0.000 0.849 136 E CB -0.745 28.876 29.700 -0.132 0.000 0.774 136 E HN 0.444 nan 8.360 nan 0.000 0.506 137 N N -0.811 117.781 118.700 -0.180 0.000 2.535 137 N HA 0.427 5.168 4.740 0.002 0.000 0.294 137 N C 0.592 176.026 175.510 -0.126 0.000 1.408 137 N CA 0.195 53.178 53.050 -0.113 0.000 0.927 137 N CB 1.219 39.673 38.487 -0.055 0.000 1.276 137 N HN 0.392 nan 8.380 nan 0.000 0.505 138 G N 0.391 109.077 108.800 -0.189 0.000 2.198 138 G HA2 -0.308 3.654 3.960 0.002 0.000 0.260 138 G HA3 -0.308 3.654 3.960 0.002 0.000 0.260 138 G C 0.202 175.078 174.900 -0.039 0.000 1.025 138 G CA 0.097 45.112 45.100 -0.141 0.000 0.769 138 G HN 0.695 nan 8.290 nan 0.000 0.507 139 W N -2.919 118.304 121.300 -0.128 0.000 3.520 139 W HA -0.224 4.437 4.660 0.002 0.000 0.305 139 W C 1.039 177.423 176.519 -0.224 0.000 1.150 139 W CA 0.232 57.475 57.345 -0.171 0.000 0.656 139 W CB -1.734 27.614 29.460 -0.187 0.000 2.198 139 W HN 0.468 nan 8.180 nan 0.000 1.417 140 L N 2.125 123.320 121.223 -0.047 0.000 2.379 140 L HA 0.476 4.818 4.340 0.002 0.000 0.269 140 L C -1.009 175.751 176.870 -0.183 0.000 1.084 140 L CA -2.072 52.657 54.840 -0.185 0.000 0.802 140 L CB 0.350 42.261 42.059 -0.247 0.000 1.175 140 L HN -0.402 nan 8.230 nan 0.000 0.448 141 P HA 0.096 nan 4.420 nan 0.000 0.279 141 P C -1.418 175.820 177.300 -0.104 0.000 1.276 141 P CA -0.450 62.365 63.100 -0.474 0.000 0.801 141 P CB 0.982 31.814 31.700 -1.446 0.000 1.127 142 D N 0.246 120.721 120.400 0.125 0.000 2.317 142 D HA 0.153 4.795 4.640 0.002 0.000 0.234 142 D C 1.298 177.920 176.300 0.537 0.000 1.112 142 D CA -0.383 53.790 54.000 0.289 0.000 0.840 142 D CB 0.350 41.267 40.800 0.196 0.000 1.078 142 D HN 0.147 nan 8.370 nan 0.000 0.486 143 L N 3.062 124.523 121.223 0.396 0.000 2.127 143 L HA -0.159 4.182 4.340 0.002 0.000 0.211 143 L C 2.086 179.028 176.870 0.118 0.000 1.089 143 L CA 1.123 56.119 54.840 0.261 0.000 0.757 143 L CB -0.187 41.869 42.059 -0.005 0.000 0.899 143 L HN 0.523 nan 8.230 nan 0.000 0.434 144 E N 0.113 120.376 120.200 0.104 0.000 2.110 144 E HA -0.236 4.115 4.350 0.002 0.000 0.193 144 E C 2.144 178.785 176.600 0.068 0.000 0.988 144 E CA 1.082 57.516 56.400 0.058 0.000 0.804 144 E CB -0.034 29.696 29.700 0.051 0.000 0.745 144 E HN 0.476 nan 8.360 nan 0.000 0.458 145 K N 0.440 120.929 120.400 0.149 0.000 2.148 145 K HA -0.117 4.204 4.320 0.002 0.000 0.204 145 K C 2.189 178.812 176.600 0.038 0.000 1.050 145 K CA 0.507 56.882 56.287 0.147 0.000 0.942 145 K CB -0.113 32.541 32.500 0.257 0.000 0.724 145 K HN 0.033 nan 8.250 nan 0.000 0.446 146 L N 1.833 123.022 121.223 -0.058 0.000 2.046 146 L HA -0.165 4.177 4.340 0.002 0.000 0.208 146 L C 2.022 178.737 176.870 -0.258 0.000 1.077 146 L CA 1.613 56.164 54.840 -0.482 0.000 0.747 146 L CB -0.256 41.273 42.059 -0.885 0.000 0.896 146 L HN 0.019 nan 8.230 nan 0.000 0.432 147 R N -1.111 119.304 120.500 -0.141 0.000 2.152 147 R HA -0.139 4.202 4.340 0.002 0.000 0.232 147 R C 2.081 178.341 176.300 -0.067 0.000 1.117 147 R CA 1.123 57.165 56.100 -0.097 0.000 0.981 147 R CB -0.243 30.019 30.300 -0.063 0.000 0.870 147 R HN 0.515 nan 8.270 nan 0.000 0.451 148 Q N 0.191 119.963 119.800 -0.047 0.000 2.212 148 Q HA 0.017 4.358 4.340 0.002 0.000 0.199 148 Q C 2.122 178.105 176.000 -0.028 0.000 0.950 148 Q CA 0.924 56.712 55.803 -0.026 0.000 0.863 148 Q CB 0.211 28.949 28.738 0.000 0.000 0.944 148 Q HN 0.382 nan 8.270 nan 0.000 0.465 149 L N -0.030 121.168 121.223 -0.042 0.000 2.270 149 L HA 0.117 4.459 4.340 0.002 0.000 0.210 149 L C 1.427 178.319 176.870 0.035 0.000 1.104 149 L CA -0.061 54.776 54.840 -0.005 0.000 0.804 149 L CB 0.087 42.134 42.059 -0.020 0.000 0.937 149 L HN 0.127 nan 8.230 nan 0.000 0.450 150 I N 0.320 120.875 120.570 -0.025 0.000 2.836 150 I HA 0.020 4.192 4.170 0.002 0.000 0.285 150 I C 0.283 176.396 176.117 -0.007 0.000 1.174 150 I CA 0.225 61.531 61.300 0.009 0.000 1.405 150 I CB 0.411 38.370 38.000 -0.068 0.000 1.385 150 I HN 0.145 nan 8.210 nan 0.000 0.594 151 R N 5.771 126.278 120.500 0.012 0.000 2.888 151 R HA 0.369 4.711 4.340 0.002 0.000 0.266 151 R C -2.081 174.207 176.300 -0.020 0.000 1.020 151 R CA -1.495 54.573 56.100 -0.054 0.000 0.963 151 R CB 0.848 31.047 30.300 -0.168 0.000 1.197 151 R HN 0.323 nan 8.270 nan 0.000 0.481 152 P HA -0.145 nan 4.420 nan 0.000 0.219 152 P C 0.747 178.040 177.300 -0.011 0.000 1.146 152 P CA 1.453 64.539 63.100 -0.023 0.000 0.808 152 P CB 0.235 31.918 31.700 -0.028 0.000 0.779 153 T N -6.637 107.915 114.554 -0.002 0.000 3.174 153 T HA 0.151 4.503 4.350 0.002 0.000 0.269 153 T C 0.470 175.204 174.700 0.058 0.000 1.017 153 T CA -0.293 61.816 62.100 0.015 0.000 0.899 153 T CB -1.113 67.760 68.868 0.009 0.000 1.077 153 T HN -0.154 nan 8.240 nan 0.000 0.552 154 T N 3.373 117.986 114.554 0.099 0.000 2.871 154 T HA 0.153 4.505 4.350 0.002 0.000 0.296 154 T C 0.258 174.993 174.700 0.059 0.000 0.998 154 T CA 0.159 62.357 62.100 0.164 0.000 1.162 154 T CB 0.775 69.752 68.868 0.182 0.000 0.947 154 T HN 0.499 nan 8.240 nan 0.000 0.536 158 C N 6.770 126.170 119.300 0.167 0.000 2.303 158 C HA 0.819 5.281 4.460 0.002 0.000 0.326 158 C C 0.222 175.350 174.990 0.230 0.000 1.285 158 C CA -0.541 58.586 59.018 0.181 0.000 1.675 158 C CB -0.017 27.821 27.740 0.163 0.000 2.289 158 C HN 0.599 nan 8.230 nan 0.000 0.512 159 I N 0.879 121.570 120.570 0.201 0.000 3.108 159 I HA 0.634 4.805 4.170 0.002 0.000 0.312 159 I C -0.851 175.339 176.117 0.123 0.000 1.095 159 I CA -0.622 60.788 61.300 0.183 0.000 1.000 159 I CB 1.990 40.115 38.000 0.208 0.000 1.229 159 I HN 0.689 nan 8.210 nan 0.000 0.454 160 N N 2.178 120.929 118.700 0.084 0.000 2.480 160 N HA 0.370 5.111 4.740 0.002 0.000 0.289 160 N C -1.803 173.726 175.510 0.031 0.000 1.073 160 N CA -0.411 52.676 53.050 0.061 0.000 0.885 160 N CB 1.193 39.725 38.487 0.076 0.000 1.421 160 N HN 0.710 nan 8.380 nan 0.000 0.503 161 N N 2.364 121.089 118.700 0.041 0.000 2.549 161 N HA 0.376 5.118 4.740 0.002 0.000 0.281 161 N C -0.890 174.651 175.510 0.053 0.000 1.084 161 N CA -0.268 52.799 53.050 0.027 0.000 0.862 161 N CB 1.788 40.296 38.487 0.036 0.000 1.333 161 N HN 0.624 nan 8.380 nan 0.000 0.523 162 A N 2.639 125.504 122.820 0.074 0.000 2.386 162 A HA 0.280 4.602 4.320 0.002 0.000 0.246 162 A C 0.442 178.027 177.584 0.002 0.000 1.089 162 A CA -0.200 51.845 52.037 0.013 0.000 0.790 162 A CB 0.120 19.112 19.000 -0.014 0.000 1.042 162 A HN 0.729 nan 8.150 nan 0.000 0.497 163 N N 0.591 119.226 118.700 -0.109 0.000 2.518 163 N HA 0.157 4.898 4.740 0.002 0.000 0.283 163 N C -0.808 174.563 175.510 -0.231 0.000 1.119 163 N CA -0.272 52.695 53.050 -0.138 0.000 0.983 163 N CB 0.644 39.003 38.487 -0.213 0.000 1.139 163 N HN 0.617 nan 8.380 nan 0.000 0.465 164 N N 3.085 121.701 118.700 -0.140 0.000 2.437 164 N HA 0.341 5.083 4.740 0.002 0.000 0.259 164 N C -2.229 173.073 175.510 -0.346 0.000 0.983 164 N CA -1.842 51.096 53.050 -0.185 0.000 0.937 164 N CB 1.580 40.156 38.487 0.148 0.000 1.122 164 N HN 0.445 nan 8.380 nan 0.000 0.499 165 P HA 0.117 nan 4.420 nan 0.000 0.272 165 P C 0.803 177.629 177.300 -0.789 0.000 1.276 165 P CA 0.289 62.834 63.100 -0.925 0.000 0.871 165 P CB 0.350 30.986 31.700 -1.774 0.000 1.313 166 T N -4.273 109.786 114.554 -0.823 0.000 2.985 166 T HA 0.172 4.524 4.350 0.002 0.000 0.266 166 T C 1.743 176.222 174.700 -0.368 0.000 1.076 166 T CA 1.237 62.914 62.100 -0.706 0.000 1.135 166 T CB -1.248 67.065 68.868 -0.925 0.000 0.890 166 T HN 0.173 nan 8.240 nan 0.000 0.480 167 G N 1.446 110.035 108.800 -0.351 0.000 2.184 167 G HA2 -0.078 3.883 3.960 0.002 0.000 0.264 167 G HA3 -0.078 3.883 3.960 0.002 0.000 0.264 167 G C 0.284 175.088 174.900 -0.160 0.000 0.975 167 G CA 0.106 45.053 45.100 -0.255 0.000 0.642 167 G HN 1.225 nan 8.290 nan 0.000 0.536 168 A N -0.893 121.834 122.820 -0.156 0.000 2.322 168 A HA 0.853 5.174 4.320 0.002 0.000 0.269 168 A C 0.442 177.961 177.584 -0.109 0.000 1.094 168 A CA 0.452 52.434 52.037 -0.092 0.000 0.807 168 A CB 1.668 20.651 19.000 -0.029 0.000 1.047 168 A HN 1.442 nan 8.150 nan 0.000 0.487 172 R N -0.559 119.994 120.500 0.089 0.000 2.083 172 R HA -0.123 4.219 4.340 0.002 0.000 0.237 172 R C 1.403 177.764 176.300 0.100 0.000 1.137 172 R CA 2.570 58.724 56.100 0.090 0.000 0.951 172 R CB -0.769 29.569 30.300 0.065 0.000 0.851 172 R HN 0.576 nan 8.270 nan 0.000 0.434 173 T N 0.104 114.716 114.554 0.096 0.000 2.684 173 T HA -0.217 4.135 4.350 0.002 0.000 0.267 173 T C 1.401 176.162 174.700 0.102 0.000 1.036 173 T CA 1.688 63.837 62.100 0.082 0.000 1.148 173 T CB -0.532 68.379 68.868 0.072 0.000 0.863 173 T HN 0.371 nan 8.240 nan 0.000 0.436 174 Y N 1.668 121.989 120.300 0.035 0.000 2.097 174 Y HA -0.098 4.453 4.550 0.002 0.000 0.282 174 Y C 2.119 178.056 175.900 0.061 0.000 1.152 174 Y CA 1.180 59.310 58.100 0.050 0.000 1.136 174 Y CB -0.542 37.947 38.460 0.049 0.000 0.975 174 Y HN 0.111 nan 8.280 nan 0.000 0.498 175 L N -0.145 121.270 121.223 0.320 0.000 2.079 175 L HA -0.255 4.087 4.340 0.002 0.000 0.210 175 L C 2.331 179.249 176.870 0.080 0.000 1.081 175 L CA 1.820 56.792 54.840 0.219 0.000 0.752 175 L CB -0.579 41.585 42.059 0.175 0.000 0.896 175 L HN 0.295 nan 8.230 nan 0.000 0.433 176 E N -0.273 119.956 120.200 0.050 0.000 2.110 176 E HA -0.265 4.087 4.350 0.002 0.000 0.193 176 E C 2.092 178.662 176.600 -0.051 0.000 0.988 176 E CA 1.141 57.542 56.400 0.001 0.000 0.804 176 E CB 0.006 29.715 29.700 0.015 0.000 0.745 176 E HN 0.464 nan 8.360 nan 0.000 0.458 177 E N 0.569 120.725 120.200 -0.073 0.000 2.106 177 E HA -0.184 4.167 4.350 0.002 0.000 0.192 177 E C 2.132 178.647 176.600 -0.143 0.000 0.984 177 E CA 0.425 56.750 56.400 -0.124 0.000 0.806 177 E CB 0.065 29.662 29.700 -0.172 0.000 0.750 177 E HN 0.093 nan 8.360 nan 0.000 0.458 178 L N 0.505 121.654 121.223 -0.124 0.000 2.012 178 L HA -0.163 4.179 4.340 0.002 0.000 0.210 178 L C 2.177 178.957 176.870 -0.150 0.000 1.073 178 L CA 1.525 56.323 54.840 -0.071 0.000 0.748 178 L CB -0.621 41.510 42.059 0.119 0.000 0.891 178 L HN 0.023 nan 8.230 nan 0.000 0.431 179 V N -0.083 119.721 119.914 -0.184 0.000 2.343 179 V HA -0.299 3.823 4.120 0.002 0.000 0.247 179 V C 2.623 178.507 176.094 -0.349 0.000 1.051 179 V CA 1.942 64.001 62.300 -0.402 0.000 1.036 179 V CB -0.691 30.918 31.823 -0.358 0.000 0.654 179 V HN 0.611 nan 8.190 nan 0.000 0.451 180 E N -0.012 120.069 120.200 -0.197 0.000 2.114 180 E HA -0.266 4.086 4.350 0.002 0.000 0.199 180 E C 2.130 178.647 176.600 -0.139 0.000 1.008 180 E CA 2.016 58.333 56.400 -0.138 0.000 0.810 180 E CB -0.171 29.471 29.700 -0.097 0.000 0.739 180 E HN 0.633 nan 8.360 nan 0.000 0.456 181 I N 0.482 120.960 120.570 -0.154 0.000 2.202 181 I HA -0.229 3.942 4.170 0.002 0.000 0.242 181 I C 2.583 178.614 176.117 -0.143 0.000 1.091 181 I CA 0.952 62.166 61.300 -0.142 0.000 1.368 181 I CB -0.348 37.553 38.000 -0.165 0.000 1.058 181 I HN 0.155 nan 8.210 nan 0.000 0.410 182 A N 0.137 122.845 122.820 -0.187 0.000 1.940 182 A HA -0.201 4.120 4.320 0.002 0.000 0.219 182 A C 2.451 179.987 177.584 -0.080 0.000 1.176 182 A CA 2.192 54.142 52.037 -0.145 0.000 0.631 182 A CB -0.746 18.137 19.000 -0.195 0.000 0.814 182 A HN 0.394 nan 8.150 nan 0.000 0.446 183 S N -0.185 115.428 115.700 -0.144 0.000 2.419 183 S HA -0.109 4.363 4.470 0.002 0.000 0.233 183 S C 1.735 176.335 174.600 -0.001 0.000 1.016 183 S CA 1.021 59.218 58.200 -0.005 0.000 0.974 183 S CB -0.250 62.936 63.200 -0.023 0.000 0.786 183 S HN 0.557 nan 8.310 nan 0.000 0.492 184 E N 0.878 121.056 120.200 -0.036 0.000 2.209 184 E HA -0.107 4.244 4.350 0.002 0.000 0.196 184 E C 1.927 178.516 176.600 -0.018 0.000 0.993 184 E CA 1.322 57.705 56.400 -0.028 0.000 0.819 184 E CB -0.166 29.509 29.700 -0.041 0.000 0.745 184 E HN 0.625 nan 8.360 nan 0.000 0.477 185 V N -4.730 115.175 119.914 -0.016 0.000 3.432 185 V HA 0.490 4.612 4.120 0.002 0.000 0.298 185 V C 1.109 177.191 176.094 -0.019 0.000 1.464 185 V CA 0.493 62.783 62.300 -0.017 0.000 1.046 185 V CB 0.330 32.142 31.823 -0.017 0.000 0.887 185 V HN 0.147 nan 8.190 nan 0.000 0.441 186 G N 0.840 109.644 108.800 0.006 0.000 2.176 186 G HA2 -0.077 3.885 3.960 0.002 0.000 0.252 186 G HA3 -0.077 3.885 3.960 0.002 0.000 0.252 186 G C 0.390 175.239 174.900 -0.085 0.000 1.024 186 G CA 0.407 45.498 45.100 -0.015 0.000 0.755 186 G HN 1.777 nan 8.290 nan 0.000 0.507 187 A N -0.521 122.296 122.820 -0.005 0.000 2.425 187 A HA 0.645 4.967 4.320 0.002 0.000 0.249 187 A C 0.355 177.987 177.584 0.079 0.000 1.084 187 A CA -0.262 51.763 52.037 -0.021 0.000 0.781 187 A CB 0.308 19.326 19.000 0.030 0.000 1.019 187 A HN 0.589 nan 8.150 nan 0.000 0.490 188 Y N 0.476 120.847 120.300 0.118 0.000 2.357 188 Y HA 0.392 4.943 4.550 0.002 0.000 0.340 188 Y C 0.542 176.552 175.900 0.185 0.000 1.260 188 Y CA 0.148 58.319 58.100 0.118 0.000 1.425 188 Y CB 0.553 39.041 38.460 0.046 0.000 1.326 188 Y HN 0.432 nan 8.280 nan 0.000 0.580 189 I N 3.807 124.631 120.570 0.424 0.000 2.411 189 I HA 0.162 4.333 4.170 0.002 0.000 0.284 189 I C -1.210 175.038 176.117 0.218 0.000 1.012 189 I CA -0.857 60.623 61.300 0.301 0.000 1.119 189 I CB 1.334 39.520 38.000 0.310 0.000 1.261 189 I HN 0.282 nan 8.210 nan 0.000 0.448 190 L N 6.477 127.797 121.223 0.161 0.000 2.281 190 L HA 0.453 4.795 4.340 0.002 0.000 0.285 190 L C -0.056 176.883 176.870 0.115 0.000 1.074 190 L CA 0.528 55.429 54.840 0.101 0.000 0.817 190 L CB 1.297 43.399 42.059 0.072 0.000 1.168 190 L HN 0.527 nan 8.230 nan 0.000 0.434 191 S N 3.950 119.708 115.700 0.097 0.000 2.640 191 S HA 0.298 4.770 4.470 0.002 0.000 0.320 191 S C -0.901 173.727 174.600 0.048 0.000 1.097 191 S CA -0.773 57.483 58.200 0.094 0.000 1.092 191 S CB 0.247 63.516 63.200 0.116 0.000 0.988 191 S HN 0.746 nan 8.310 nan 0.000 0.470 192 D N 3.889 124.307 120.400 0.031 0.000 2.352 192 D HA 0.133 4.775 4.640 0.002 0.000 0.245 192 D C 0.217 176.493 176.300 -0.040 0.000 1.224 192 D CA 0.035 54.017 54.000 -0.030 0.000 0.879 192 D CB 0.744 41.525 40.800 -0.032 0.000 1.057 192 D HN 0.665 nan 8.370 nan 0.000 0.491 193 E N 2.611 122.768 120.200 -0.072 0.000 2.585 193 E HA 0.033 4.384 4.350 0.002 0.000 0.206 193 E C 1.797 178.319 176.600 -0.131 0.000 1.007 193 E CA -0.124 56.246 56.400 -0.050 0.000 1.028 193 E CB 0.702 30.411 29.700 0.015 0.000 1.087 193 E HN 0.461 nan 8.360 nan 0.000 0.455 194 V N -1.474 118.290 119.914 -0.251 0.000 2.469 194 V HA -0.216 3.905 4.120 0.002 0.000 0.251 194 V C 0.713 176.567 176.094 -0.401 0.000 1.064 194 V CA 1.224 63.288 62.300 -0.394 0.000 1.066 194 V CB -0.801 30.675 31.823 -0.578 0.000 0.667 194 V HN 0.187 nan 8.190 nan 0.000 0.461 195 Y N 2.079 122.327 120.300 -0.087 0.000 2.691 195 Y HA 0.507 5.059 4.550 0.002 0.000 0.338 195 Y C 0.935 176.816 175.900 -0.031 0.000 1.148 195 Y CA -1.052 57.017 58.100 -0.053 0.000 1.430 195 Y CB -0.136 38.289 38.460 -0.057 0.000 1.303 195 Y HN 0.237 nan 8.280 nan 0.000 0.499 196 R N 1.883 122.428 120.500 0.074 0.000 2.421 196 R HA 0.157 4.499 4.340 0.002 0.000 0.305 196 R C 0.342 176.672 176.300 0.049 0.000 1.039 196 R CA -0.007 56.090 56.100 -0.005 0.000 1.003 196 R CB 0.465 30.685 30.300 -0.133 0.000 0.959 196 R HN 0.550 nan 8.270 nan 0.000 0.427 197 S N 3.607 119.321 115.700 0.024 0.000 2.562 197 S HA 0.057 4.529 4.470 0.002 0.000 0.281 197 S C 0.221 174.814 174.600 -0.011 0.000 1.333 197 S CA -0.371 57.877 58.200 0.079 0.000 1.052 197 S CB 0.310 63.534 63.200 0.039 0.000 0.884 197 S HN 0.603 nan 8.310 nan 0.000 0.506 198 F N 2.696 122.649 119.950 0.006 0.000 2.641 198 F HA 0.231 4.759 4.527 0.002 0.000 0.302 198 F C 1.597 177.399 175.800 0.004 0.000 1.098 198 F CA -0.187 57.813 58.000 0.001 0.000 1.318 198 F CB -0.241 38.758 39.000 -0.002 0.000 1.035 198 F HN 0.587 nan 8.300 nan 0.000 0.551 199 S N 0.140 115.922 115.700 0.138 0.000 2.641 199 S HA 0.057 4.528 4.470 0.002 0.000 0.261 199 S C 1.492 176.116 174.600 0.041 0.000 1.257 199 S CA -0.329 57.919 58.200 0.079 0.000 0.983 199 S CB 0.664 63.896 63.200 0.053 0.000 0.990 199 S HN 0.338 nan 8.310 nan 0.000 0.572 200 E N 0.226 120.444 120.200 0.031 0.000 2.358 200 E HA 0.065 4.416 4.350 0.002 0.000 0.195 200 E C 0.562 177.169 176.600 0.012 0.000 1.010 200 E CA 0.081 56.493 56.400 0.019 0.000 0.856 200 E CB -0.795 28.916 29.700 0.019 0.000 0.795 200 E HN 0.632 nan 8.360 nan 0.000 0.504 201 L N 2.293 123.523 121.223 0.013 0.000 2.483 201 L HA 0.022 4.363 4.340 0.002 0.000 0.276 201 L C 0.596 177.472 176.870 0.010 0.000 1.213 201 L CA -0.125 54.722 54.840 0.012 0.000 0.843 201 L CB 0.144 42.209 42.059 0.010 0.000 1.107 201 L HN -0.093 nan 8.230 nan 0.000 0.487 202 D N 2.414 122.824 120.400 0.017 0.000 2.374 202 D HA 0.224 4.865 4.640 0.002 0.000 0.240 202 D C -0.815 175.501 176.300 0.026 0.000 1.229 202 D CA -0.117 53.895 54.000 0.019 0.000 0.895 202 D CB 0.751 41.567 40.800 0.026 0.000 1.046 202 D HN 0.084 nan 8.370 nan 0.000 0.498 203 V N 7.056 126.981 119.914 0.019 0.000 2.320 203 V HA 0.291 4.413 4.120 0.002 0.000 0.268 203 V C -1.820 174.295 176.094 0.035 0.000 1.021 203 V CA -1.279 61.038 62.300 0.027 0.000 0.813 203 V CB 0.824 32.655 31.823 0.014 0.000 1.054 203 V HN 0.523 nan 8.190 nan 0.000 0.444 204 P HA 0.170 nan 4.420 nan 0.000 0.272 204 P C 0.187 177.549 177.300 0.102 0.000 1.230 204 P CA 0.135 63.281 63.100 0.076 0.000 0.788 204 P CB 1.051 32.803 31.700 0.086 0.000 0.949 205 S N 0.755 116.541 115.700 0.143 0.000 2.572 205 S HA 0.008 4.479 4.470 0.002 0.000 0.279 205 S C 1.495 176.203 174.600 0.179 0.000 1.341 205 S CA -0.589 57.732 58.200 0.202 0.000 1.043 205 S CB -0.281 63.152 63.200 0.390 0.000 0.887 205 S HN 0.382 nan 8.310 nan 0.000 0.516 206 I N 4.872 125.544 120.570 0.170 0.000 2.194 206 I HA -0.161 4.011 4.170 0.002 0.000 0.246 206 I C 1.941 178.162 176.117 0.172 0.000 1.093 206 I CA 1.492 62.897 61.300 0.176 0.000 1.355 206 I CB -0.345 37.764 38.000 0.182 0.000 1.046 206 I HN 0.850 nan 8.210 nan 0.000 0.413 207 I N -0.160 120.483 120.570 0.122 0.000 3.001 207 I HA -0.218 3.954 4.170 0.002 0.000 0.268 207 I C 1.780 177.939 176.117 0.070 0.000 1.267 207 I CA 1.022 62.352 61.300 0.051 0.000 1.472 207 I CB -0.187 37.761 38.000 -0.087 0.000 1.089 207 I HN 0.324 nan 8.210 nan 0.000 0.468 208 E N -0.437 119.838 120.200 0.126 0.000 2.435 208 E HA -0.083 4.269 4.350 0.002 0.000 0.195 208 E C 1.706 178.375 176.600 0.115 0.000 1.029 208 E CA 0.849 57.321 56.400 0.121 0.000 0.865 208 E CB 0.381 30.169 29.700 0.146 0.000 0.833 208 E HN 0.534 nan 8.360 nan 0.000 0.510 209 V N -2.634 117.365 119.914 0.141 0.000 3.556 209 V HA 0.252 4.373 4.120 0.002 0.000 0.287 209 V C -0.404 175.822 176.094 0.219 0.000 1.422 209 V CA -0.412 61.974 62.300 0.144 0.000 1.038 209 V CB -0.011 31.883 31.823 0.119 0.000 0.850 209 V HN 0.067 nan 8.190 nan 0.000 0.437 210 Y N 0.780 121.110 120.300 0.051 0.000 2.399 210 Y HA 0.536 5.087 4.550 0.002 0.000 0.327 210 Y C 0.161 176.087 175.900 0.045 0.000 1.111 210 Y CA -1.587 56.542 58.100 0.048 0.000 1.047 210 Y CB 1.937 40.433 38.460 0.059 0.000 1.259 210 Y HN 0.014 nan 8.280 nan 0.000 0.434 211 D N 3.011 123.363 120.400 -0.081 0.000 2.264 211 D HA -0.044 4.598 4.640 0.002 0.000 0.208 211 D C 0.634 176.721 176.300 -0.355 0.000 0.966 211 D CA 1.239 55.138 54.000 -0.169 0.000 0.864 211 D CB 0.379 41.133 40.800 -0.076 0.000 0.933 211 D HN 0.497 nan 8.370 nan 0.000 0.499 212 K N 0.398 120.254 120.400 -0.907 0.000 2.500 212 K HA 0.237 4.559 4.320 0.002 0.000 0.206 212 K C 0.626 177.018 176.600 -0.347 0.000 1.034 212 K CA -0.314 55.588 56.287 -0.641 0.000 1.179 212 K CB 1.010 33.081 32.500 -0.716 0.000 0.884 212 K HN -0.057 nan 8.250 nan 0.000 0.493 213 G N 0.978 109.666 108.800 -0.185 0.000 2.390 213 G HA2 0.401 4.362 3.960 0.002 0.000 0.270 213 G HA3 0.401 4.362 3.960 0.002 0.000 0.270 213 G C -0.422 174.498 174.900 0.034 0.000 1.211 213 G CA -0.456 44.716 45.100 0.120 0.000 0.842 213 G HN 0.164 nan 8.290 nan 0.000 0.519 214 I N 2.029 122.630 120.570 0.051 0.000 2.420 214 I HA 0.388 4.559 4.170 0.002 0.000 0.282 214 I C 0.436 176.566 176.117 0.021 0.000 1.019 214 I CA -0.670 60.624 61.300 -0.010 0.000 1.130 214 I CB 1.826 39.788 38.000 -0.063 0.000 1.262 214 I HN 0.528 nan 8.210 nan 0.000 0.454 215 A N 6.647 129.476 122.820 0.015 0.000 2.289 215 A HA 0.724 5.045 4.320 0.002 0.000 0.298 215 A C -0.455 177.141 177.584 0.019 0.000 1.208 215 A CA -0.377 51.692 52.037 0.053 0.000 0.845 215 A CB 0.880 19.947 19.000 0.111 0.000 1.125 215 A HN 0.460 nan 8.150 nan 0.000 0.517 216 V N 4.163 124.052 119.914 -0.042 0.000 2.459 216 V HA 0.541 4.662 4.120 0.002 0.000 0.295 216 V C -0.161 175.746 176.094 -0.313 0.000 1.029 216 V CA -0.584 61.621 62.300 -0.157 0.000 0.874 216 V CB 1.653 33.413 31.823 -0.105 0.000 0.985 216 V HN 1.021 nan 8.190 nan 0.000 0.438 217 N N 1.648 119.937 118.700 -0.685 0.000 3.039 217 N HA 0.704 5.446 4.740 0.002 0.000 0.257 217 N C -1.182 173.659 175.510 -1.114 0.000 1.497 217 N CA 0.092 52.605 53.050 -0.895 0.000 0.861 217 N CB 2.615 40.542 38.487 -0.934 0.000 1.479 217 N HN 0.845 nan 8.380 nan 0.000 0.547 218 S N -0.973 114.214 115.700 -0.855 0.000 2.655 218 S HA 0.408 4.879 4.470 0.002 0.000 0.266 218 S C -0.348 174.224 174.600 -0.048 0.000 1.149 218 S CA -0.671 57.258 58.200 -0.452 0.000 0.818 218 S CB 0.301 63.361 63.200 -0.234 0.000 1.130 218 S HN 0.347 nan 8.310 nan 0.000 0.476 219 L N 1.385 122.699 121.223 0.152 0.000 2.611 219 L HA 0.288 4.630 4.340 0.002 0.000 0.229 219 L C 0.813 177.801 176.870 0.197 0.000 1.137 219 L CA -0.034 54.982 54.840 0.293 0.000 0.901 219 L CB -0.214 41.998 42.059 0.255 0.000 1.098 219 L HN 0.541 nan 8.230 nan 0.000 0.456 223 Y N 1.592 121.945 120.300 0.087 0.000 2.557 223 Y HA 0.519 5.070 4.550 0.002 0.000 0.247 223 Y C 1.143 177.080 175.900 0.062 0.000 1.164 223 Y CA -0.409 57.752 58.100 0.102 0.000 1.218 223 Y CB 0.460 38.995 38.460 0.125 0.000 1.210 223 Y HN 0.103 nan 8.280 nan 0.000 0.529 224 S N 0.614 116.374 115.700 0.099 0.000 3.635 224 S HA -0.194 4.277 4.470 0.002 0.000 0.328 224 S C 0.005 174.646 174.600 0.068 0.000 1.135 224 S CA 0.782 59.017 58.200 0.058 0.000 0.942 224 S CB -1.809 61.415 63.200 0.041 0.000 0.930 224 S HN 0.453 nan 8.310 nan 0.000 0.512 225 L N -0.119 121.159 121.223 0.092 0.000 2.960 225 L HA 0.237 4.578 4.340 0.002 0.000 0.274 225 L C -1.534 175.379 176.870 0.071 0.000 1.327 225 L CA -1.447 53.441 54.840 0.081 0.000 0.860 225 L CB 0.758 42.876 42.059 0.098 0.000 1.239 225 L HN 0.003 nan 8.230 nan 0.000 0.551 226 P HA -0.139 nan 4.420 nan 0.000 0.218 226 P C 1.580 178.907 177.300 0.044 0.000 1.148 226 P CA 1.219 64.339 63.100 0.033 0.000 0.822 226 P CB 0.219 31.928 31.700 0.015 0.000 0.784 227 G N 0.441 109.273 108.800 0.054 0.000 2.679 227 G HA2 -0.121 3.840 3.960 0.002 0.000 0.212 227 G HA3 -0.121 3.840 3.960 0.002 0.000 0.212 227 G C 1.384 176.345 174.900 0.102 0.000 1.137 227 G CA 0.220 45.358 45.100 0.065 0.000 0.787 227 G HN 0.452 nan 8.290 nan 0.000 0.534 228 I N -3.865 116.774 120.570 0.114 0.000 3.603 228 I HA 0.287 4.458 4.170 0.002 0.000 0.297 228 I C 0.492 176.672 176.117 0.104 0.000 1.269 228 I CA -0.529 60.858 61.300 0.144 0.000 1.361 228 I CB 0.226 38.305 38.000 0.131 0.000 1.063 228 I HN -0.171 nan 8.210 nan 0.000 0.448 229 R N 2.303 122.848 120.500 0.075 0.000 3.205 229 R HA -0.096 4.246 4.340 0.002 0.000 0.249 229 R C -0.904 175.432 176.300 0.059 0.000 0.937 229 R CA 0.429 56.563 56.100 0.056 0.000 0.641 229 R CB -2.383 27.945 30.300 0.048 0.000 1.114 229 R HN 0.455 nan 8.270 nan 0.000 0.451 230 I N -0.122 120.495 120.570 0.079 0.000 2.447 230 I HA 0.563 4.734 4.170 0.002 0.000 0.287 230 I C 1.139 177.362 176.117 0.177 0.000 1.023 230 I CA -0.306 61.060 61.300 0.111 0.000 1.083 230 I CB 1.860 39.935 38.000 0.125 0.000 1.245 230 I HN 0.353 nan 8.210 nan 0.000 0.434 231 G N 5.242 114.154 108.800 0.186 0.000 3.105 231 G HA2 0.789 4.751 3.960 0.002 0.000 0.277 231 G HA3 0.789 4.751 3.960 0.002 0.000 0.277 231 G C -2.144 173.029 174.900 0.456 0.000 1.375 231 G CA -0.558 44.633 45.100 0.152 0.000 0.962 231 G HN 0.635 nan 8.290 nan 0.000 0.541 232 W N -1.844 119.561 121.300 0.175 0.000 3.066 232 W HA 0.682 5.343 4.660 0.003 0.000 0.330 232 W C -1.663 174.911 176.519 0.091 0.000 1.253 232 W CA -1.330 56.123 57.345 0.180 0.000 1.187 232 W CB 1.032 30.629 29.460 0.227 0.000 1.434 232 W HN 0.393 nan 8.180 nan 0.000 0.572 233 V N 2.455 122.558 119.914 0.315 0.000 2.483 233 V HA 0.828 4.949 4.120 0.002 0.000 0.295 233 V C -0.042 176.193 176.094 0.234 0.000 1.035 233 V CA -0.767 61.646 62.300 0.188 0.000 0.896 233 V CB 0.882 32.759 31.823 0.090 0.000 0.986 233 V HN 0.904 nan 8.190 nan 0.000 0.447 234 A N 3.596 126.505 122.820 0.148 0.000 2.304 234 A HA 0.982 5.304 4.320 0.002 0.000 0.314 234 A C -0.130 177.391 177.584 -0.105 0.000 1.187 234 A CA -0.001 52.011 52.037 -0.041 0.000 0.810 234 A CB 1.240 20.091 19.000 -0.249 0.000 1.183 234 A HN 1.503 nan 8.150 nan 0.000 0.487 235 A N 2.547 125.284 122.820 -0.139 0.000 2.588 235 A HA 0.731 5.052 4.320 0.002 0.000 0.290 235 A C -0.253 177.224 177.584 -0.180 0.000 1.136 235 A CA -0.526 51.431 52.037 -0.133 0.000 0.681 235 A CB 0.567 19.506 19.000 -0.102 0.000 1.282 235 A HN 1.396 nan 8.150 nan 0.000 0.421 236 N N -0.332 118.286 118.700 -0.136 0.000 2.297 236 N HA 0.126 4.867 4.740 0.002 0.000 0.232 236 N C 0.392 175.822 175.510 -0.133 0.000 1.311 236 N CA 0.923 53.892 53.050 -0.136 0.000 0.897 236 N CB -0.156 38.310 38.487 -0.035 0.000 1.137 236 N HN 0.671 nan 8.380 nan 0.000 0.449 237 H N -1.638 117.422 119.070 -0.018 0.000 2.421 237 H HA -0.109 4.449 4.556 0.002 0.000 0.298 237 H C 1.823 177.155 175.328 0.006 0.000 1.087 237 H CA 1.845 57.889 56.048 -0.007 0.000 1.330 237 H CB 0.007 29.765 29.762 -0.008 0.000 1.388 237 H HN 0.761 nan 8.280 nan 0.000 0.526 238 Q N 0.667 120.539 119.800 0.121 0.000 2.050 238 Q HA -0.137 4.205 4.340 0.002 0.000 0.202 238 Q C 2.166 178.206 176.000 0.067 0.000 0.980 238 Q CA 1.756 57.612 55.803 0.089 0.000 0.840 238 Q CB -0.027 28.763 28.738 0.086 0.000 0.898 238 Q HN 0.335 nan 8.270 nan 0.000 0.424 239 V N 0.703 120.641 119.914 0.040 0.000 2.295 239 V HA -0.258 3.864 4.120 0.002 0.000 0.246 239 V C 2.319 178.409 176.094 -0.007 0.000 1.049 239 V CA 2.181 64.473 62.300 -0.013 0.000 1.024 239 V CB -0.893 30.873 31.823 -0.095 0.000 0.648 239 V HN 0.503 nan 8.190 nan 0.000 0.447 240 T N -0.451 114.097 114.554 -0.010 0.000 2.720 240 T HA -0.226 4.125 4.350 0.002 0.000 0.268 240 T C 1.678 176.404 174.700 0.044 0.000 1.037 240 T CA 1.779 63.882 62.100 0.005 0.000 1.144 240 T CB -0.411 68.441 68.868 -0.027 0.000 0.864 240 T HN 0.444 nan 8.240 nan 0.000 0.444 241 D N 0.666 121.101 120.400 0.058 0.000 2.178 241 D HA 0.002 4.643 4.640 0.002 0.000 0.201 241 D C 2.031 178.382 176.300 0.083 0.000 0.980 241 D CA 0.634 54.674 54.000 0.068 0.000 0.842 241 D CB -0.280 40.561 40.800 0.068 0.000 0.948 241 D HN 0.389 nan 8.370 nan 0.000 0.472 242 I N 0.440 121.069 120.570 0.097 0.000 2.202 242 I HA -0.224 3.947 4.170 0.002 0.000 0.242 242 I C 2.367 178.635 176.117 0.252 0.000 1.091 242 I CA 0.651 62.050 61.300 0.165 0.000 1.368 242 I CB -0.170 37.903 38.000 0.122 0.000 1.058 242 I HN -0.026 nan 8.210 nan 0.000 0.410 243 L N 0.121 121.439 121.223 0.159 0.000 2.127 243 L HA -0.208 4.134 4.340 0.002 0.000 0.211 243 L C 2.659 179.655 176.870 0.210 0.000 1.089 243 L CA 1.214 56.166 54.840 0.187 0.000 0.757 243 L CB -0.710 41.401 42.059 0.086 0.000 0.899 243 L HN 0.221 nan 8.230 nan 0.000 0.434 244 R N 0.089 120.666 120.500 0.129 0.000 2.200 244 R HA -0.149 4.192 4.340 0.002 0.000 0.234 244 R C 0.928 177.247 176.300 0.032 0.000 1.127 244 R CA 1.121 57.268 56.100 0.079 0.000 0.989 244 R CB -0.068 30.264 30.300 0.052 0.000 0.869 244 R HN 0.386 nan 8.270 nan 0.000 0.459 245 D N -1.425 118.975 120.400 -0.001 0.000 2.340 245 D HA -0.017 4.624 4.640 0.002 0.000 0.217 245 D C 0.150 176.190 176.300 -0.434 0.000 1.081 245 D CA 0.602 54.470 54.000 -0.220 0.000 0.842 245 D CB 0.362 40.978 40.800 -0.307 0.000 0.934 245 D HN 0.286 nan 8.370 nan 0.000 0.511 246 Y N -0.495 119.843 120.300 0.063 0.000 2.527 246 Y HA 0.261 4.812 4.550 0.002 0.000 0.247 246 Y C 1.959 177.956 175.900 0.163 0.000 1.138 246 Y CA -0.378 57.820 58.100 0.163 0.000 1.228 246 Y CB 0.461 39.005 38.460 0.139 0.000 1.252 246 Y HN -0.209 nan 8.280 nan 0.000 0.531 247 R N 0.410 121.020 120.500 0.183 0.000 2.159 247 R HA -0.146 4.196 4.340 0.002 0.000 0.237 247 R C 0.616 176.972 176.300 0.093 0.000 1.131 247 R CA 1.705 57.890 56.100 0.141 0.000 0.982 247 R CB -0.132 30.220 30.300 0.087 0.000 0.868 247 R HN 0.266 nan 8.270 nan 0.000 0.453 248 D N -0.731 119.660 120.400 -0.015 0.000 2.371 248 D HA -0.102 4.540 4.640 0.002 0.000 0.221 248 D C 0.983 177.254 176.300 -0.048 0.000 0.986 248 D CA 0.870 54.821 54.000 -0.082 0.000 0.899 248 D CB -0.026 40.656 40.800 -0.196 0.000 0.902 248 D HN 0.262 nan 8.370 nan 0.000 0.530 249 Y N 0.527 120.888 120.300 0.101 0.000 2.395 249 Y HA 0.006 4.558 4.550 0.003 0.000 0.293 249 Y C 1.647 177.649 175.900 0.170 0.000 1.123 249 Y CA 0.563 58.756 58.100 0.155 0.000 1.227 249 Y CB -0.135 38.467 38.460 0.236 0.000 1.012 249 Y HN -0.068 nan 8.280 nan 0.000 0.552 253 C N 0.951 120.323 119.300 0.119 0.000 3.295 253 C HA 0.888 5.349 4.460 0.002 0.000 0.341 253 C C -0.150 174.900 174.990 0.100 0.000 1.418 253 C CA -0.455 58.632 59.018 0.115 0.000 1.240 253 C CB 0.824 28.655 27.740 0.152 0.000 1.562 253 C HN 0.497 nan 8.230 nan 0.000 0.457 254 A N 0.568 123.428 122.820 0.066 0.000 2.239 254 A HA 0.886 5.207 4.320 0.002 0.000 0.303 254 A C 0.596 178.214 177.584 0.058 0.000 1.114 254 A CA 0.290 52.356 52.037 0.047 0.000 0.871 254 A CB -0.287 18.711 19.000 -0.004 0.000 1.201 254 A HN 2.356 nan 8.150 nan 0.000 0.506 255 G N -1.603 107.234 108.800 0.062 0.000 2.539 255 G HA2 0.414 4.375 3.960 0.002 0.000 0.258 255 G HA3 0.414 4.375 3.960 0.002 0.000 0.258 255 G C 0.802 175.762 174.900 0.100 0.000 1.202 255 G CA 0.054 45.205 45.100 0.084 0.000 0.851 255 G HN 0.605 nan 8.290 nan 0.000 0.556 256 V N 1.396 121.373 119.914 0.105 0.000 2.255 256 V HA -0.186 3.935 4.120 0.002 0.000 0.247 256 V C 2.275 178.470 176.094 0.168 0.000 1.051 256 V CA 2.233 64.606 62.300 0.120 0.000 1.018 256 V CB -0.882 30.989 31.823 0.080 0.000 0.641 256 V HN 0.703 nan 8.190 nan 0.000 0.445 257 F N 1.396 121.383 119.950 0.062 0.000 2.186 257 F HA -0.159 4.369 4.527 0.002 0.000 0.299 257 F C 2.178 178.054 175.800 0.126 0.000 1.090 257 F CA 1.864 59.928 58.000 0.107 0.000 1.307 257 F CB -0.368 38.704 39.000 0.119 0.000 1.019 257 F HN 0.219 nan 8.300 nan 0.000 0.489 258 D N 0.414 120.961 120.400 0.244 0.000 2.097 258 D HA -0.245 4.397 4.640 0.002 0.000 0.195 258 D C 1.795 178.080 176.300 -0.025 0.000 0.989 258 D CA 1.885 55.950 54.000 0.109 0.000 0.827 258 D CB -0.803 40.085 40.800 0.148 0.000 0.966 258 D HN 0.509 nan 8.370 nan 0.000 0.456 259 D N -0.409 119.976 120.400 -0.024 0.000 2.144 259 D HA -0.150 4.492 4.640 0.002 0.000 0.199 259 D C 1.965 178.251 176.300 -0.024 0.000 0.984 259 D CA 0.579 54.533 54.000 -0.077 0.000 0.834 259 D CB 0.052 40.813 40.800 -0.064 0.000 0.955 259 D HN -0.094 nan 8.370 nan 0.000 0.465 260 L N 0.265 121.475 121.223 -0.022 0.000 2.017 260 L HA -0.109 4.233 4.340 0.002 0.000 0.208 260 L C 2.568 179.469 176.870 0.052 0.000 1.073 260 L CA 0.996 55.832 54.840 -0.007 0.000 0.745 260 L CB -1.036 40.969 42.059 -0.090 0.000 0.894 260 L HN 0.135 nan 8.230 nan 0.000 0.432 261 V N -0.361 119.494 119.914 -0.099 0.000 2.407 261 V HA -0.254 3.867 4.120 0.002 0.000 0.248 261 V C 2.712 178.802 176.094 -0.007 0.000 1.055 261 V CA 1.421 63.656 62.300 -0.109 0.000 1.049 261 V CB -1.166 30.459 31.823 -0.330 0.000 0.662 261 V HN 0.484 nan 8.190 nan 0.000 0.455 262 A N -0.741 122.093 122.820 0.023 0.000 1.902 262 A HA -0.283 4.038 4.320 0.002 0.000 0.217 262 A C 2.197 179.861 177.584 0.133 0.000 1.181 262 A CA 1.909 54.017 52.037 0.118 0.000 0.623 262 A CB -0.463 18.655 19.000 0.197 0.000 0.818 262 A HN 0.617 nan 8.150 nan 0.000 0.443 263 Q N -1.146 118.727 119.800 0.121 0.000 2.061 263 Q HA -0.199 4.142 4.340 0.002 0.000 0.204 263 Q C 2.131 178.184 176.000 0.088 0.000 0.984 263 Q CA 1.578 57.435 55.803 0.089 0.000 0.846 263 Q CB -0.385 28.394 28.738 0.067 0.000 0.902 263 Q HN 0.581 nan 8.270 nan 0.000 0.421 264 L N 0.697 122.000 121.223 0.134 0.000 2.012 264 L HA -0.163 4.179 4.340 0.002 0.000 0.210 264 L C 2.184 179.170 176.870 0.195 0.000 1.073 264 L CA 2.233 57.187 54.840 0.190 0.000 0.748 264 L CB -0.899 41.268 42.059 0.180 0.000 0.891 264 L HN 0.150 nan 8.230 nan 0.000 0.431 265 A N -0.674 122.208 122.820 0.103 0.000 1.877 265 A HA -0.178 4.144 4.320 0.002 0.000 0.216 265 A C 2.282 179.907 177.584 0.069 0.000 1.186 265 A CA 2.047 54.139 52.037 0.091 0.000 0.620 265 A CB -0.947 18.086 19.000 0.055 0.000 0.822 265 A HN 0.504 nan 8.150 nan 0.000 0.443 266 L N -0.830 120.388 121.223 -0.008 0.000 2.141 266 L HA -0.142 4.199 4.340 0.002 0.000 0.209 266 L C 2.947 179.812 176.870 -0.007 0.000 1.094 266 L CA 0.857 55.637 54.840 -0.099 0.000 0.763 266 L CB -0.373 41.546 42.059 -0.233 0.000 0.908 266 L HN 0.428 nan 8.230 nan 0.000 0.437 267 A N -1.088 121.716 122.820 -0.027 0.000 2.121 267 A HA -0.166 4.155 4.320 0.002 0.000 0.218 267 A C 0.921 178.251 177.584 -0.422 0.000 1.154 267 A CA 1.226 53.154 52.037 -0.180 0.000 0.679 267 A CB -0.627 18.262 19.000 -0.185 0.000 0.795 267 A HN 0.555 nan 8.150 nan 0.000 0.458 268 H N -2.283 116.818 119.070 0.053 0.000 2.562 268 H HA 0.234 4.791 4.556 0.002 0.000 0.249 268 H C 0.713 176.057 175.328 0.027 0.000 1.195 268 H CA -0.244 55.814 56.048 0.016 0.000 0.938 268 H CB -0.240 29.535 29.762 0.022 0.000 1.891 268 H HN 0.661 nan 8.280 nan 0.000 0.595 269 Y N -0.381 119.937 120.300 0.030 0.000 2.274 269 Y HA -0.158 4.393 4.550 0.003 0.000 0.290 269 Y C 2.035 178.036 175.900 0.168 0.000 1.145 269 Y CA 0.957 59.098 58.100 0.069 0.000 1.203 269 Y CB 0.015 38.420 38.460 -0.092 0.000 0.984 269 Y HN 0.118 nan 8.280 nan 0.000 0.533 270 Q N 1.164 120.543 119.800 -0.703 0.000 2.170 270 Q HA -0.164 4.178 4.340 0.002 0.000 0.203 270 Q C 1.818 177.757 176.000 -0.102 0.000 0.976 270 Q CA 1.940 57.467 55.803 -0.460 0.000 0.858 270 Q CB -0.129 28.317 28.738 -0.488 0.000 0.907 270 Q HN 0.735 nan 8.270 nan 0.000 0.433 271 E N -0.091 120.095 120.200 -0.024 0.000 2.106 271 E HA -0.093 4.259 4.350 0.002 0.000 0.192 271 E C 1.997 178.657 176.600 0.101 0.000 0.984 271 E CA 0.841 57.273 56.400 0.054 0.000 0.806 271 E CB -0.111 29.635 29.700 0.076 0.000 0.750 271 E HN 0.341 nan 8.360 nan 0.000 0.458 272 I N 0.476 121.141 120.570 0.158 0.000 2.252 272 I HA -0.252 3.920 4.170 0.002 0.000 0.245 272 I C 2.098 178.339 176.117 0.207 0.000 1.102 272 I CA 0.903 62.327 61.300 0.208 0.000 1.385 272 I CB -0.230 37.970 38.000 0.333 0.000 1.064 272 I HN 0.105 nan 8.210 nan 0.000 0.414 273 L N 0.188 121.555 121.223 0.239 0.000 2.079 273 L HA -0.206 4.136 4.340 0.002 0.000 0.210 273 L C 2.674 179.684 176.870 0.232 0.000 1.081 273 L CA 1.233 56.239 54.840 0.276 0.000 0.752 273 L CB -0.598 41.582 42.059 0.202 0.000 0.896 273 L HN 0.268 nan 8.230 nan 0.000 0.433 274 E N -0.049 120.224 120.200 0.121 0.000 2.072 274 E HA -0.216 4.135 4.350 0.002 0.000 0.191 274 E C 2.177 178.824 176.600 0.079 0.000 0.985 274 E CA 0.823 57.258 56.400 0.058 0.000 0.801 274 E CB -0.152 29.582 29.700 0.057 0.000 0.750 274 E HN 0.364 nan 8.360 nan 0.000 0.452 275 R N 0.864 121.441 120.500 0.129 0.000 2.080 275 R HA -0.157 4.184 4.340 0.002 0.000 0.236 275 R C 1.709 178.055 176.300 0.077 0.000 1.137 275 R CA 1.755 57.940 56.100 0.141 0.000 0.943 275 R CB -0.091 30.267 30.300 0.095 0.000 0.846 275 R HN 0.059 nan 8.270 nan 0.000 0.431 276 N N 0.452 119.162 118.700 0.015 0.000 2.331 276 N HA -0.132 4.609 4.740 0.002 0.000 0.180 276 N C 1.702 177.005 175.510 -0.345 0.000 1.019 276 N CA 0.885 53.855 53.050 -0.134 0.000 0.881 276 N CB -0.348 38.063 38.487 -0.127 0.000 0.972 276 N HN 0.301 nan 8.380 nan 0.000 0.435 277 R N 0.310 120.649 120.500 -0.268 0.000 2.083 277 R HA -0.137 4.204 4.340 0.002 0.000 0.237 277 R C 1.708 177.883 176.300 -0.209 0.000 1.137 277 R CA 1.371 57.290 56.100 -0.301 0.000 0.951 277 R CB -0.193 30.074 30.300 -0.055 0.000 0.851 277 R HN 0.353 nan 8.270 nan 0.000 0.434 278 H N 0.313 119.355 119.070 -0.048 0.000 2.352 278 H HA -0.123 4.435 4.556 0.002 0.000 0.299 278 H C 2.264 177.570 175.328 -0.037 0.000 1.097 278 H CA 1.904 57.938 56.048 -0.024 0.000 1.311 278 H CB -0.226 29.532 29.762 -0.006 0.000 1.377 278 H HN 0.287 nan 8.280 nan 0.000 0.504 279 I N 0.487 121.091 120.570 0.057 0.000 2.142 279 I HA -0.261 3.911 4.170 0.002 0.000 0.240 279 I C 2.595 178.714 176.117 0.004 0.000 1.078 279 I CA 0.817 62.125 61.300 0.013 0.000 1.343 279 I CB -0.339 37.639 38.000 -0.037 0.000 1.046 279 I HN 0.076 nan 8.210 nan 0.000 0.405 280 L N 0.401 121.568 121.223 -0.093 0.000 1.990 280 L HA -0.269 4.072 4.340 0.002 0.000 0.213 280 L C 2.615 179.551 176.870 0.110 0.000 1.072 280 L CA 1.760 56.590 54.840 -0.016 0.000 0.755 280 L CB -0.649 41.249 42.059 -0.267 0.000 0.889 280 L HN 0.288 nan 8.230 nan 0.000 0.432 281 E N -0.331 119.887 120.200 0.029 0.000 2.072 281 E HA -0.218 4.134 4.350 0.002 0.000 0.191 281 E C 2.108 178.748 176.600 0.066 0.000 0.985 281 E CA 1.174 57.605 56.400 0.052 0.000 0.801 281 E CB -0.073 29.650 29.700 0.038 0.000 0.750 281 E HN 0.534 nan 8.360 nan 0.000 0.452 282 E N 0.697 120.943 120.200 0.077 0.000 2.072 282 E HA -0.148 4.204 4.350 0.002 0.000 0.191 282 E C 1.841 178.483 176.600 0.070 0.000 0.985 282 E CA 0.911 57.352 56.400 0.069 0.000 0.801 282 E CB -0.014 29.726 29.700 0.068 0.000 0.750 282 E HN 0.147 nan 8.360 nan 0.000 0.452 283 N N 0.568 119.339 118.700 0.118 0.000 2.250 283 N HA -0.097 4.644 4.740 0.002 0.000 0.181 283 N C 1.622 177.180 175.510 0.081 0.000 1.017 283 N CA 0.399 53.548 53.050 0.165 0.000 0.866 283 N CB -0.174 38.488 38.487 0.292 0.000 0.985 283 N HN 0.045 nan 8.380 nan 0.000 0.429 284 L N 1.017 122.256 121.223 0.028 0.000 2.083 284 L HA 0.045 4.386 4.340 0.002 0.000 0.209 284 L C 1.936 178.726 176.870 -0.133 0.000 1.083 284 L CA 1.310 55.972 54.840 -0.297 0.000 0.752 284 L CB -1.049 40.895 42.059 -0.192 0.000 0.899 284 L HN 0.141 nan 8.230 nan 0.000 0.433 285 A N -0.534 122.268 122.820 -0.031 0.000 1.933 285 A HA -0.180 4.141 4.320 0.002 0.000 0.218 285 A C 2.284 179.868 177.584 0.001 0.000 1.175 285 A CA 1.971 54.006 52.037 -0.004 0.000 0.628 285 A CB -0.756 18.255 19.000 0.018 0.000 0.814 285 A HN 0.499 nan 8.150 nan 0.000 0.444 286 I N -1.082 119.487 120.570 -0.001 0.000 2.202 286 I HA -0.213 3.959 4.170 0.002 0.000 0.242 286 I C 2.412 178.539 176.117 0.017 0.000 1.091 286 I CA 1.079 62.386 61.300 0.012 0.000 1.368 286 I CB -0.248 37.755 38.000 0.005 0.000 1.058 286 I HN 0.373 nan 8.210 nan 0.000 0.410 287 L N 0.848 122.037 121.223 -0.057 0.000 2.012 287 L HA -0.262 4.080 4.340 0.002 0.000 0.210 287 L C 2.025 178.887 176.870 -0.012 0.000 1.073 287 L CA 2.031 56.823 54.840 -0.079 0.000 0.748 287 L CB -0.820 41.073 42.059 -0.276 0.000 0.891 287 L HN 0.200 nan 8.230 nan 0.000 0.431 288 D N -0.859 119.531 120.400 -0.017 0.000 2.104 288 D HA -0.268 4.374 4.640 0.002 0.000 0.194 288 D C 2.045 178.365 176.300 0.033 0.000 0.994 288 D CA 1.536 55.557 54.000 0.035 0.000 0.830 288 D CB -0.132 40.699 40.800 0.052 0.000 0.959 288 D HN 0.545 nan 8.370 nan 0.000 0.452 289 Q N -0.752 119.075 119.800 0.045 0.000 2.061 289 Q HA -0.194 4.148 4.340 0.002 0.000 0.204 289 Q C 2.198 178.232 176.000 0.056 0.000 0.984 289 Q CA 1.490 57.320 55.803 0.044 0.000 0.846 289 Q CB -0.282 28.488 28.738 0.053 0.000 0.902 289 Q HN 0.358 nan 8.270 nan 0.000 0.421 290 W N 1.133 122.382 121.300 -0.084 0.000 2.335 290 W HA -0.223 4.439 4.660 0.002 0.000 0.311 290 W C 1.816 178.266 176.519 -0.115 0.000 1.213 290 W CA 1.426 58.717 57.345 -0.091 0.000 1.274 290 W CB -0.253 29.149 29.460 -0.096 0.000 1.148 290 W HN 0.160 nan 8.180 nan 0.000 0.498 291 I N 0.446 120.998 120.570 -0.029 0.000 2.163 291 I HA -0.310 3.862 4.170 0.002 0.000 0.243 291 I C 2.355 178.316 176.117 -0.259 0.000 1.085 291 I CA 2.094 63.245 61.300 -0.247 0.000 1.347 291 I CB -1.420 36.412 38.000 -0.281 0.000 1.044 291 I HN 0.184 nan 8.210 nan 0.000 0.408 292 E N 0.879 120.990 120.200 -0.150 0.000 2.150 292 E HA -0.218 4.134 4.350 0.002 0.000 0.193 292 E C 1.915 178.412 176.600 -0.173 0.000 0.985 292 E CA 1.035 57.361 56.400 -0.123 0.000 0.814 292 E CB 0.145 29.808 29.700 -0.061 0.000 0.752 292 E HN 0.523 nan 8.360 nan 0.000 0.466 293 E N 0.263 120.326 120.200 -0.227 0.000 2.216 293 E HA -0.114 4.237 4.350 0.002 0.000 0.192 293 E C 0.296 176.698 176.600 -0.330 0.000 0.988 293 E CA 0.261 56.519 56.400 -0.236 0.000 0.834 293 E CB 0.219 29.796 29.700 -0.204 0.000 0.772 293 E HN -0.012 nan 8.360 nan 0.000 0.479 294 E N 1.291 121.179 120.200 -0.519 0.000 2.081 294 E HA 0.057 4.409 4.350 0.002 0.000 0.281 294 E C -1.959 174.426 176.600 -0.359 0.000 0.986 294 E CA -2.574 53.492 56.400 -0.558 0.000 0.796 294 E CB 1.054 30.097 29.700 -1.095 0.000 1.085 294 E HN -0.154 nan 8.360 nan 0.000 0.398 295 P HA -0.060 nan 4.420 nan 0.000 0.229 295 P C 0.700 177.908 177.300 -0.153 0.000 1.160 295 P CA 0.699 63.700 63.100 -0.166 0.000 0.777 295 P CB 0.329 31.958 31.700 -0.118 0.000 0.814 296 L N -0.342 120.783 121.223 -0.163 0.000 2.592 296 L HA 0.128 4.469 4.340 0.002 0.000 0.227 296 L C 0.983 177.750 176.870 -0.172 0.000 1.127 296 L CA -0.116 54.640 54.840 -0.140 0.000 0.884 296 L CB 0.122 42.127 42.059 -0.089 0.000 1.065 296 L HN -0.128 nan 8.230 nan 0.000 0.457 297 V N -3.197 116.591 119.914 -0.211 0.000 2.876 297 V HA 0.903 5.024 4.120 0.002 0.000 0.312 297 V C -0.434 175.562 176.094 -0.163 0.000 1.085 297 V CA -0.446 61.741 62.300 -0.189 0.000 0.945 297 V CB 1.975 33.688 31.823 -0.184 0.000 1.017 297 V HN 0.128 nan 8.190 nan 0.000 0.428 298 S N 3.233 118.879 115.700 -0.090 0.000 2.588 298 S HA 0.928 5.399 4.470 0.002 0.000 0.269 298 S C -1.270 173.428 174.600 0.163 0.000 1.157 298 S CA -0.348 57.850 58.200 -0.003 0.000 0.824 298 S CB 2.211 65.405 63.200 -0.010 0.000 1.126 298 S HN 2.498 nan 8.310 nan 0.000 0.464 299 Y N -0.363 119.968 120.300 0.051 0.000 2.725 299 Y HA 0.700 5.251 4.550 0.002 0.000 0.333 299 Y C -2.120 173.850 175.900 0.116 0.000 1.242 299 Y CA -2.359 55.822 58.100 0.134 0.000 1.059 299 Y CB 0.143 38.695 38.460 0.153 0.000 1.306 299 Y HN 0.675 nan 8.280 nan 0.000 0.454 300 I N 3.621 124.261 120.570 0.116 0.000 2.291 300 I HA 0.319 4.491 4.170 0.002 0.000 0.290 300 I C 0.691 176.515 176.117 -0.488 0.000 1.050 300 I CA -0.388 60.848 61.300 -0.106 0.000 1.245 300 I CB 0.545 38.566 38.000 0.035 0.000 1.405 300 I HN 0.670 nan 8.210 nan 0.000 0.478 301 R N 8.730 128.795 120.500 -0.725 0.000 2.504 301 R HA 0.066 4.408 4.340 0.002 0.000 0.291 301 R C -2.014 174.055 176.300 -0.384 0.000 0.974 301 R CA -0.738 54.858 56.100 -0.841 0.000 1.077 301 R CB 0.346 30.424 30.300 -0.370 0.000 0.926 301 R HN 0.374 nan 8.270 nan 0.000 0.407 302 P HA -0.008 nan 4.420 nan 0.000 0.271 302 P C -0.926 176.344 177.300 -0.050 0.000 1.233 302 P CA -0.109 62.925 63.100 -0.109 0.000 0.789 302 P CB 0.670 32.364 31.700 -0.011 0.000 0.951 303 A N 1.704 124.509 122.820 -0.024 0.000 3.074 303 A HA 0.297 4.619 4.320 0.002 0.000 0.251 303 A C 0.489 178.118 177.584 0.075 0.000 1.695 303 A CA -0.479 51.564 52.037 0.011 0.000 1.343 303 A CB -1.563 17.437 19.000 -0.000 0.000 1.078 303 A HN 0.347 nan 8.150 nan 0.000 0.644 304 V N -1.433 118.542 119.914 0.101 0.000 5.830 304 V HA -0.240 3.881 4.120 0.002 0.000 0.274 304 V C 0.404 176.620 176.094 0.203 0.000 0.632 304 V CA 1.106 63.507 62.300 0.168 0.000 0.594 304 V CB -2.820 29.105 31.823 0.169 0.000 0.249 304 V HN 1.413 nan 8.190 nan 0.000 0.697 305 V N -1.448 118.564 119.914 0.163 0.000 3.102 305 V HA 0.905 5.027 4.120 0.002 0.000 0.312 305 V C 0.918 176.991 176.094 -0.035 0.000 1.135 305 V CA -0.128 62.221 62.300 0.081 0.000 1.022 305 V CB 2.130 33.963 31.823 0.018 0.000 1.056 305 V HN 0.846 nan 8.190 nan 0.000 0.436 306 S N -0.302 115.267 115.700 -0.219 0.000 2.840 306 S HA 0.215 4.686 4.470 0.002 0.000 0.235 306 S C 0.495 174.838 174.600 -0.428 0.000 0.968 306 S CA 0.424 58.288 58.200 -0.561 0.000 1.026 306 S CB -0.832 62.160 63.200 -0.348 0.000 0.788 306 S HN 1.298 nan 8.310 nan 0.000 0.487 307 T N 1.326 115.709 114.554 -0.285 0.000 2.900 307 T HA 0.662 5.013 4.350 0.002 0.000 0.295 307 T C -0.832 173.891 174.700 0.038 0.000 1.044 307 T CA -0.255 61.739 62.100 -0.178 0.000 0.995 307 T CB 1.792 70.426 68.868 -0.390 0.000 1.072 307 T HN 0.507 nan 8.240 nan 0.000 0.473 308 S N 2.756 118.538 115.700 0.136 0.000 2.618 308 S HA 0.841 5.313 4.470 0.002 0.000 0.277 308 S C -1.737 173.001 174.600 0.229 0.000 1.138 308 S CA -0.797 57.530 58.200 0.212 0.000 0.844 308 S CB 1.802 65.257 63.200 0.424 0.000 1.127 308 S HN 0.561 nan 8.310 nan 0.000 0.474 309 F N 1.609 121.578 119.950 0.033 0.000 2.659 309 F HA 0.608 5.137 4.527 0.002 0.000 0.342 309 F C -1.166 174.788 175.800 0.257 0.000 1.168 309 F CA -1.034 56.937 58.000 -0.048 0.000 1.003 309 F CB 1.442 40.178 39.000 -0.440 0.000 1.267 309 F HN 0.585 nan 8.300 nan 0.000 0.463 310 V N 5.574 125.568 119.914 0.132 0.000 2.435 310 V HA 0.366 4.488 4.120 0.002 0.000 0.290 310 V C -0.088 176.009 176.094 0.005 0.000 1.030 310 V CA -1.050 61.346 62.300 0.160 0.000 0.881 310 V CB 1.804 33.681 31.823 0.090 0.000 0.983 310 V HN 0.552 nan 8.190 nan 0.000 0.445 311 K N 4.974 125.373 120.400 -0.001 0.000 2.262 311 K HA 0.413 4.734 4.320 0.002 0.000 0.282 311 K C -0.955 175.443 176.600 -0.336 0.000 1.066 311 K CA -0.560 55.498 56.287 -0.380 0.000 0.901 311 K CB 0.533 32.851 32.500 -0.304 0.000 1.089 311 K HN 0.467 nan 8.250 nan 0.000 0.476 312 I N 4.100 124.403 120.570 -0.444 0.000 2.307 312 I HA 0.140 4.311 4.170 0.002 0.000 0.289 312 I C 0.550 176.429 176.117 -0.398 0.000 1.021 312 I CA -0.502 60.551 61.300 -0.410 0.000 1.224 312 I CB 0.764 38.398 38.000 -0.610 0.000 1.376 312 I HN 0.637 nan 8.210 nan 0.000 0.470 313 A N 7.259 129.904 122.820 -0.291 0.000 3.051 313 A HA 0.442 4.763 4.320 0.002 0.000 0.257 313 A C 0.061 177.515 177.584 -0.217 0.000 1.785 313 A CA -0.085 51.813 52.037 -0.232 0.000 1.420 313 A CB -0.511 18.389 19.000 -0.166 0.000 1.063 313 A HN 0.434 nan 8.150 nan 0.000 0.630 314 V N 0.721 120.459 119.914 -0.293 0.000 2.709 314 V HA 0.289 4.410 4.120 0.002 0.000 0.308 314 V C -0.367 175.587 176.094 -0.234 0.000 1.062 314 V CA -0.852 61.272 62.300 -0.293 0.000 0.901 314 V CB 2.126 33.622 31.823 -0.545 0.000 1.003 314 V HN 0.669 nan 8.190 nan 0.000 0.425 320 D N 0.790 121.299 120.400 0.181 0.000 2.117 320 D HA -0.086 4.555 4.640 0.002 0.000 0.198 320 D C 1.549 178.011 176.300 0.270 0.000 0.982 320 D CA 1.269 55.392 54.000 0.206 0.000 0.828 320 D CB -0.302 40.608 40.800 0.183 0.000 0.967 320 D HN 0.233 nan 8.370 nan 0.000 0.464 321 F N 1.203 121.236 119.950 0.139 0.000 2.095 321 F HA -0.252 4.277 4.527 0.002 0.000 0.298 321 F C 2.267 178.188 175.800 0.202 0.000 1.104 321 F CA 1.321 59.452 58.000 0.218 0.000 1.232 321 F CB -0.274 38.782 39.000 0.093 0.000 0.987 321 F HN -0.026 nan 8.300 nan 0.000 0.475 322 C N 0.456 119.987 119.300 0.385 0.000 2.435 322 C HA -0.092 4.369 4.460 0.002 0.000 0.279 322 C C 2.778 177.872 174.990 0.172 0.000 1.321 322 C CA 0.745 59.917 59.018 0.256 0.000 1.752 322 C CB -1.392 26.488 27.740 0.232 0.000 1.959 322 C HN 0.519 nan 8.230 nan 0.000 0.500 323 L N 0.247 121.593 121.223 0.206 0.000 2.017 323 L HA -0.229 4.113 4.340 0.002 0.000 0.208 323 L C 2.819 179.669 176.870 -0.033 0.000 1.073 323 L CA 1.600 56.480 54.840 0.067 0.000 0.745 323 L CB -0.716 41.412 42.059 0.115 0.000 0.894 323 L HN 0.439 nan 8.230 nan 0.000 0.432 324 Q N -0.487 119.306 119.800 -0.012 0.000 2.079 324 Q HA -0.241 4.101 4.340 0.002 0.000 0.200 324 Q C 2.272 178.025 176.000 -0.411 0.000 0.974 324 Q CA 1.430 57.193 55.803 -0.066 0.000 0.840 324 Q CB -0.284 28.570 28.738 0.194 0.000 0.898 324 Q HN 0.344 nan 8.270 nan 0.000 0.430 325 L N 0.772 121.528 121.223 -0.778 0.000 2.042 325 L HA -0.193 4.149 4.340 0.002 0.000 0.210 325 L C 2.097 178.738 176.870 -0.383 0.000 1.076 325 L CA 1.410 55.645 54.840 -1.008 0.000 0.749 325 L CB -0.568 41.003 42.059 -0.814 0.000 0.893 325 L HN 0.210 nan 8.230 nan 0.000 0.432 326 L N -0.450 120.642 121.223 -0.217 0.000 2.017 326 L HA -0.230 4.111 4.340 0.002 0.000 0.208 326 L C 2.601 179.391 176.870 -0.133 0.000 1.073 326 L CA 2.305 57.071 54.840 -0.123 0.000 0.745 326 L CB -0.838 41.149 42.059 -0.121 0.000 0.894 326 L HN 0.570 nan 8.230 nan 0.000 0.432 327 Q N -0.801 118.912 119.800 -0.145 0.000 2.119 327 Q HA -0.197 4.144 4.340 0.002 0.000 0.201 327 Q C 2.025 177.931 176.000 -0.157 0.000 0.972 327 Q CA 1.952 57.685 55.803 -0.117 0.000 0.847 327 Q CB -0.040 28.650 28.738 -0.080 0.000 0.903 327 Q HN 0.657 nan 8.270 nan 0.000 0.433 328 E N -1.316 118.736 120.200 -0.246 0.000 2.170 328 E HA -0.087 4.265 4.350 0.002 0.000 0.191 328 E C 1.077 177.316 176.600 -0.602 0.000 0.981 328 E CA 0.663 56.822 56.400 -0.402 0.000 0.830 328 E CB 0.339 29.774 29.700 -0.442 0.000 0.775 328 E HN 0.496 nan 8.360 nan 0.000 0.470 329 H N -1.749 117.266 119.070 -0.093 0.000 3.233 329 H HA 0.207 4.764 4.556 0.002 0.000 0.263 329 H C 1.051 176.408 175.328 0.048 0.000 1.168 329 H CA 0.679 56.724 56.048 -0.005 0.000 1.159 329 H CB 1.658 31.413 29.762 -0.012 0.000 1.593 329 H HN 0.274 nan 8.280 nan 0.000 0.580 330 G N 1.733 110.558 108.800 0.041 0.000 2.153 330 G HA2 -0.284 3.677 3.960 0.002 0.000 0.252 330 G HA3 -0.284 3.677 3.960 0.002 0.000 0.252 330 G C 0.175 175.106 174.900 0.052 0.000 0.994 330 G CA 0.535 45.628 45.100 -0.011 0.000 0.698 330 G HN 0.202 nan 8.290 nan 0.000 0.521 331 V N 0.818 120.803 119.914 0.118 0.000 2.432 331 V HA 0.632 4.754 4.120 0.002 0.000 0.275 331 V C 0.403 176.557 176.094 0.100 0.000 1.043 331 V CA -0.688 61.700 62.300 0.148 0.000 0.925 331 V CB 1.598 33.495 31.823 0.123 0.000 0.985 331 V HN 0.382 nan 8.190 nan 0.000 0.466 332 L N 6.993 128.293 121.223 0.128 0.000 2.296 332 L HA 0.659 5.001 4.340 0.002 0.000 0.286 332 L C -0.554 176.450 176.870 0.224 0.000 1.023 332 L CA 0.419 55.367 54.840 0.180 0.000 0.812 332 L CB 1.005 43.159 42.059 0.157 0.000 1.223 332 L HN 0.539 nan 8.230 nan 0.000 0.421 333 L N 4.331 125.729 121.223 0.293 0.000 2.235 333 L HA 0.690 5.031 4.340 0.002 0.000 0.260 333 L C -0.978 176.069 176.870 0.294 0.000 1.025 333 L CA -1.251 53.740 54.840 0.253 0.000 0.836 333 L CB 2.271 44.451 42.059 0.201 0.000 1.395 333 L HN 0.172 nan 8.230 nan 0.000 0.443 334 V N 1.767 121.775 119.914 0.157 0.000 2.384 334 V HA 0.360 4.481 4.120 0.002 0.000 0.287 334 V C -2.232 173.806 176.094 -0.092 0.000 1.020 334 V CA -1.574 60.669 62.300 -0.095 0.000 0.850 334 V CB 1.304 33.217 31.823 0.151 0.000 0.987 334 V HN 0.519 nan 8.190 nan 0.000 0.436 335 P HA 0.173 nan 4.420 nan 0.000 0.274 335 P C 0.962 178.291 177.300 0.048 0.000 1.231 335 P CA -0.053 62.933 63.100 -0.191 0.000 0.790 335 P CB 1.372 32.859 31.700 -0.355 0.000 0.951 336 G N 2.608 111.500 108.800 0.153 0.000 2.443 336 G HA2 -0.240 3.722 3.960 0.002 0.000 0.219 336 G HA3 -0.240 3.722 3.960 0.002 0.000 0.219 336 G C 1.218 176.316 174.900 0.329 0.000 1.131 336 G CA 0.291 45.631 45.100 0.400 0.000 0.775 336 G HN 0.666 nan 8.290 nan 0.000 0.547 337 N N 0.975 119.747 118.700 0.120 0.000 2.364 337 N HA -0.121 4.620 4.740 0.002 0.000 0.183 337 N C 1.674 177.172 175.510 -0.020 0.000 1.022 337 N CA 0.571 53.658 53.050 0.062 0.000 0.883 337 N CB -0.382 38.121 38.487 0.026 0.000 0.965 337 N HN 0.128 nan 8.380 nan 0.000 0.438 338 R N -0.111 120.299 120.500 -0.150 0.000 2.280 338 R HA 0.036 4.377 4.340 0.002 0.000 0.207 338 R C 0.414 176.327 176.300 -0.645 0.000 1.043 338 R CA 0.382 56.239 56.100 -0.405 0.000 1.006 338 R CB -0.526 29.420 30.300 -0.589 0.000 0.885 338 R HN 0.388 nan 8.270 nan 0.000 0.467 339 F N -0.010 119.910 119.950 -0.050 0.000 2.668 339 F HA 0.248 4.777 4.527 0.002 0.000 0.301 339 F C 0.633 176.337 175.800 -0.160 0.000 1.106 339 F CA -0.716 57.191 58.000 -0.155 0.000 1.289 339 F CB 0.040 38.878 39.000 -0.271 0.000 1.006 339 F HN -0.007 nan 8.300 nan 0.000 0.535 340 E N 1.722 121.963 120.200 0.068 0.000 2.539 340 E HA -0.246 4.105 4.350 0.002 0.000 0.253 340 E C -0.446 176.236 176.600 0.135 0.000 1.145 340 E CA 0.181 56.642 56.400 0.103 0.000 0.738 340 E CB -0.383 29.414 29.700 0.161 0.000 1.308 340 E HN 0.246 nan 8.360 nan 0.000 0.409 341 R N 1.401 122.025 120.500 0.207 0.000 2.629 341 R HA 0.171 4.513 4.340 0.002 0.000 0.275 341 R C -0.683 175.817 176.300 0.333 0.000 1.719 341 R CA -0.621 55.640 56.100 0.269 0.000 1.472 341 R CB 0.915 31.372 30.300 0.262 0.000 1.237 341 R HN 0.089 nan 8.270 nan 0.000 0.589 342 D N -0.329 120.207 120.400 0.227 0.000 2.360 342 D HA 0.254 4.896 4.640 0.002 0.000 0.242 342 D C 1.329 177.707 176.300 0.129 0.000 1.184 342 D CA 1.646 55.733 54.000 0.145 0.000 0.930 342 D CB 0.945 41.792 40.800 0.077 0.000 1.161 342 D HN 0.645 nan 8.370 nan 0.000 0.447 343 G N 0.321 109.085 108.800 -0.060 0.000 2.175 343 G HA2 -0.234 3.727 3.960 0.002 0.000 0.244 343 G HA3 -0.234 3.727 3.960 0.002 0.000 0.244 343 G C -0.233 174.304 174.900 -0.606 0.000 0.982 343 G CA 0.517 45.433 45.100 -0.305 0.000 0.641 343 G HN 0.435 nan 8.290 nan 0.000 0.527 344 Y N -1.033 119.067 120.300 -0.333 0.000 2.609 344 Y HA 0.665 5.216 4.550 0.002 0.000 0.342 344 Y C 0.261 175.860 175.900 -0.502 0.000 1.058 344 Y CA -0.688 57.056 58.100 -0.593 0.000 1.055 344 Y CB 2.285 39.963 38.460 -1.303 0.000 1.292 344 Y HN 0.637 nan 8.280 nan 0.000 0.476 345 V N -0.801 118.935 119.914 -0.296 0.000 2.789 345 V HA 0.652 4.774 4.120 0.002 0.000 0.311 345 V C -0.781 175.347 176.094 0.057 0.000 1.073 345 V CA -1.323 60.940 62.300 -0.063 0.000 0.921 345 V CB 1.896 33.722 31.823 0.006 0.000 1.009 345 V HN 0.834 nan 8.190 nan 0.000 0.426 346 R N 2.767 123.418 120.500 0.251 0.000 2.267 346 R HA 0.642 4.984 4.340 0.002 0.000 0.319 346 R C -1.204 175.203 176.300 0.179 0.000 1.067 346 R CA -0.496 55.746 56.100 0.236 0.000 0.936 346 R CB 0.967 31.336 30.300 0.115 0.000 1.006 346 R HN 0.912 nan 8.270 nan 0.000 0.452 347 L N 4.166 125.490 121.223 0.169 0.000 2.319 347 L HA 0.519 4.861 4.340 0.002 0.000 0.281 347 L C -0.367 176.612 176.870 0.181 0.000 1.005 347 L CA -0.494 54.441 54.840 0.159 0.000 0.828 347 L CB 1.718 43.862 42.059 0.141 0.000 1.227 347 L HN 0.791 nan 8.230 nan 0.000 0.415 348 G N 3.345 112.220 108.800 0.126 0.000 2.356 348 G HA2 0.315 4.276 3.960 0.002 0.000 0.312 348 G HA3 0.315 4.276 3.960 0.002 0.000 0.312 348 G C -0.097 174.824 174.900 0.035 0.000 1.096 348 G CA -0.417 44.707 45.100 0.040 0.000 0.950 348 G HN 0.769 nan 8.290 nan 0.000 0.428 349 F N 1.063 121.015 119.950 0.004 0.000 2.695 349 F HA 0.515 5.044 4.527 0.002 0.000 0.303 349 F C 1.455 177.245 175.800 -0.017 0.000 1.091 349 F CA -0.288 57.703 58.000 -0.015 0.000 1.300 349 F CB 0.675 39.668 39.000 -0.012 0.000 1.071 349 F HN 0.403 nan 8.300 nan 0.000 0.578 350 A N 1.139 123.682 122.820 -0.462 0.000 2.640 350 A HA 0.376 4.697 4.320 0.002 0.000 0.282 350 A C 0.899 178.404 177.584 -0.132 0.000 1.357 350 A CA -0.052 51.803 52.037 -0.304 0.000 0.946 350 A CB -1.833 16.894 19.000 -0.454 0.000 1.065 350 A HN 0.578 nan 8.150 nan 0.000 0.541 351 C N -2.073 117.189 119.300 -0.064 0.000 2.590 351 C HA 0.800 5.261 4.460 0.002 0.000 0.354 351 C C 0.829 175.819 174.990 -0.000 0.000 1.622 351 C CA -0.234 58.772 59.018 -0.020 0.000 2.050 351 C CB -0.251 27.493 27.740 0.006 0.000 1.960 351 C HN 0.813 nan 8.230 nan 0.000 0.550 352 E N -0.461 119.745 120.200 0.010 0.000 2.480 352 E HA 0.047 4.399 4.350 0.002 0.000 0.258 352 E C 1.031 177.641 176.600 0.017 0.000 0.984 352 E CA 0.669 57.077 56.400 0.014 0.000 0.930 352 E CB -0.140 29.573 29.700 0.020 0.000 0.936 352 E HN 0.850 nan 8.360 nan 0.000 0.466 353 Q N 0.610 120.419 119.800 0.015 0.000 2.181 353 Q HA -0.216 4.126 4.340 0.002 0.000 0.205 353 Q C 1.450 177.449 176.000 -0.002 0.000 0.980 353 Q CA 1.915 57.726 55.803 0.013 0.000 0.862 353 Q CB 0.193 28.940 28.738 0.015 0.000 0.905 353 Q HN 0.773 nan 8.270 nan 0.000 0.429 354 E N -0.668 119.532 120.200 0.001 0.000 2.216 354 E HA -0.078 4.274 4.350 0.002 0.000 0.192 354 E C 1.907 178.495 176.600 -0.021 0.000 0.988 354 E CA 1.121 57.515 56.400 -0.011 0.000 0.834 354 E CB -0.009 29.692 29.700 0.002 0.000 0.772 354 E HN 0.345 nan 8.360 nan 0.000 0.479 355 T N 1.949 116.510 114.554 0.012 0.000 2.777 355 T HA -0.110 4.241 4.350 0.002 0.000 0.266 355 T C 1.897 176.582 174.700 -0.026 0.000 1.040 355 T CA 0.637 62.762 62.100 0.042 0.000 1.141 355 T CB -0.207 68.719 68.868 0.098 0.000 0.868 355 T HN 0.037 nan 8.240 nan 0.000 0.444 356 L N 1.317 122.522 121.223 -0.030 0.000 1.989 356 L HA -0.023 4.319 4.340 0.002 0.000 0.211 356 L C 2.158 178.936 176.870 -0.153 0.000 1.071 356 L CA 1.665 56.463 54.840 -0.070 0.000 0.749 356 L CB -0.721 41.324 42.059 -0.022 0.000 0.890 356 L HN 0.261 nan 8.230 nan 0.000 0.431 357 I N -0.611 119.883 120.570 -0.126 0.000 2.163 357 I HA -0.305 3.867 4.170 0.002 0.000 0.243 357 I C 2.486 178.478 176.117 -0.209 0.000 1.085 357 I CA 1.527 62.738 61.300 -0.149 0.000 1.347 357 I CB -0.384 37.565 38.000 -0.085 0.000 1.044 357 I HN 0.274 nan 8.210 nan 0.000 0.408 358 K N 1.506 121.754 120.400 -0.253 0.000 2.057 358 K HA -0.070 4.252 4.320 0.002 0.000 0.206 358 K C 1.969 178.269 176.600 -0.500 0.000 1.050 358 K CA 1.640 57.675 56.287 -0.419 0.000 0.935 358 K CB -0.987 31.144 32.500 -0.614 0.000 0.715 358 K HN 0.271 nan 8.250 nan 0.000 0.439 359 G N 1.105 109.663 108.800 -0.403 0.000 2.476 359 G HA2 -0.236 3.725 3.960 0.002 0.000 0.218 359 G HA3 -0.236 3.725 3.960 0.002 0.000 0.218 359 G C 1.554 176.284 174.900 -0.283 0.000 1.164 359 G CA 1.167 46.116 45.100 -0.251 0.000 0.768 359 G HN 0.304 nan 8.290 nan 0.000 0.560 360 L N -0.181 120.791 121.223 -0.418 0.000 2.027 360 L HA -0.038 4.303 4.340 0.002 0.000 0.206 360 L C 2.868 179.566 176.870 -0.286 0.000 1.074 360 L CA 1.308 55.714 54.840 -0.724 0.000 0.745 360 L CB -0.571 40.782 42.059 -1.177 0.000 0.898 360 L HN 0.284 nan 8.230 nan 0.000 0.433 361 E N 0.087 120.184 120.200 -0.171 0.000 2.049 361 E HA -0.247 4.104 4.350 0.002 0.000 0.198 361 E C 2.231 178.812 176.600 -0.032 0.000 1.007 361 E CA 1.344 57.728 56.400 -0.027 0.000 0.809 361 E CB 0.092 29.743 29.700 -0.082 0.000 0.749 361 E HN 0.258 nan 8.360 nan 0.000 0.450 362 K N 0.322 120.643 120.400 -0.133 0.000 2.097 362 K HA -0.124 4.197 4.320 0.002 0.000 0.205 362 K C 2.163 178.688 176.600 -0.126 0.000 1.050 362 K CA 0.465 56.647 56.287 -0.175 0.000 0.938 362 K CB -0.397 32.014 32.500 -0.148 0.000 0.718 362 K HN 0.119 nan 8.250 nan 0.000 0.442 363 L N 1.534 122.760 121.223 0.006 0.000 2.046 363 L HA -0.110 4.232 4.340 0.002 0.000 0.208 363 L C 2.006 179.090 176.870 0.356 0.000 1.077 363 L CA 1.747 56.706 54.840 0.200 0.000 0.747 363 L CB -0.779 41.386 42.059 0.177 0.000 0.896 363 L HN -0.005 nan 8.230 nan 0.000 0.432 364 S N -0.855 115.081 115.700 0.394 0.000 2.382 364 S HA -0.216 4.256 4.470 0.002 0.000 0.228 364 S C 1.844 176.543 174.600 0.165 0.000 1.027 364 S CA 1.254 59.650 58.200 0.327 0.000 0.991 364 S CB -0.231 63.175 63.200 0.343 0.000 0.823 364 S HN 0.562 nan 8.310 nan 0.000 0.469 365 Q N -0.387 119.461 119.800 0.079 0.000 2.061 365 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 365 Q C 1.916 177.962 176.000 0.077 0.000 0.984 365 Q CA 1.504 57.313 55.803 0.009 0.000 0.846 365 Q CB -0.274 28.384 28.738 -0.134 0.000 0.902 365 Q HN 0.533 nan 8.270 nan 0.000 0.421 366 F N 1.023 120.915 119.950 -0.096 0.000 2.134 366 F HA -0.183 4.345 4.527 0.002 0.000 0.299 366 F C 1.787 177.730 175.800 0.239 0.000 1.097 366 F CA 1.227 59.276 58.000 0.082 0.000 1.264 366 F CB -0.223 38.824 39.000 0.078 0.000 1.001 366 F HN -0.011 nan 8.300 nan 0.000 0.479 367 L N -0.553 120.841 121.223 0.285 0.000 2.191 367 L HA -0.218 4.123 4.340 0.002 0.000 0.212 367 L C 2.594 179.567 176.870 0.172 0.000 1.103 367 L CA 0.989 56.010 54.840 0.302 0.000 0.769 367 L CB -0.670 41.548 42.059 0.265 0.000 0.908 367 L HN -0.179 nan 8.230 nan 0.000 0.438 368 R N -0.689 119.854 120.500 0.072 0.000 2.193 368 R HA -0.111 4.231 4.340 0.002 0.000 0.229 368 R C 2.486 178.740 176.300 -0.076 0.000 1.110 368 R CA 1.068 57.172 56.100 0.007 0.000 0.988 368 R CB -1.065 29.237 30.300 0.003 0.000 0.871 368 R HN 0.452 nan 8.270 nan 0.000 0.458 369 R N -0.697 119.681 120.500 -0.203 0.000 2.285 369 R HA 0.097 4.438 4.340 0.002 0.000 0.213 369 R C 1.411 177.321 176.300 -0.650 0.000 1.068 369 R CA 1.049 56.865 56.100 -0.473 0.000 1.004 369 R CB -0.676 29.191 30.300 -0.721 0.000 0.873 369 R HN 0.610 nan 8.270 nan 0.000 0.467 370 F N 0.023 119.900 119.950 -0.121 0.000 2.654 370 F HA 0.370 4.898 4.527 0.003 0.000 0.303 370 F C 0.714 176.481 175.800 -0.056 0.000 1.099 370 F CA -0.945 57.006 58.000 -0.081 0.000 1.270 370 F CB 0.258 39.221 39.000 -0.063 0.000 1.024 370 F HN 0.005 nan 8.300 nan 0.000 0.548 371 D N 0.000 120.435 120.400 0.058 0.000 6.856 371 D HA 0.000 4.641 4.640 0.002 0.000 0.175 371 D CA 0.000 54.016 54.000 0.026 0.000 0.868 371 D CB 0.000 40.802 40.800 0.003 0.000 0.688 371 D HN 0.000 nan 8.370 nan 0.000 0.683