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 2yzn_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRYEA PFXXXXXXYT PGRAELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.251 176.300 -0.081 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.109 0.000 0.988 1 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 2 R N 2.660 123.130 120.500 -0.050 0.000 2.589 2 R HA 0.954 5.294 4.340 -0.001 0.000 0.293 2 R C -1.539 174.839 176.300 0.129 0.000 0.963 2 R CA -0.632 55.486 56.100 0.029 0.000 0.905 2 R CB 1.707 31.979 30.300 -0.047 0.000 1.144 2 R HN 0.534 nan 8.270 nan 0.000 0.459 3 V N 4.650 124.693 119.914 0.214 0.000 2.715 3 V HA 0.441 4.560 4.120 -0.001 0.000 0.310 3 V C -0.928 175.321 176.094 0.259 0.000 1.054 3 V CA -0.985 61.454 62.300 0.232 0.000 0.928 3 V CB 1.766 33.687 31.823 0.164 0.000 1.007 3 V HN 0.595 nan 8.190 nan 0.000 0.437 4 L N 4.798 126.045 121.223 0.040 0.000 2.333 4 L HA 0.689 5.028 4.340 -0.001 0.000 0.280 4 L C -1.126 175.708 176.870 -0.060 0.000 1.004 4 L CA -0.255 54.408 54.840 -0.294 0.000 0.820 4 L CB 1.323 42.805 42.059 -0.962 0.000 1.247 4 L HN 0.481 nan 8.230 nan 0.000 0.416 5 L N 6.361 127.545 121.223 -0.066 0.000 2.307 5 L HA 0.539 4.879 4.340 -0.001 0.000 0.284 5 L C -0.437 176.395 176.870 -0.064 0.000 1.023 5 L CA 0.025 54.828 54.840 -0.061 0.000 0.810 5 L CB 1.534 43.507 42.059 -0.144 0.000 1.231 5 L HN 0.492 nan 8.230 nan 0.000 0.423 6 I N 3.564 124.112 120.570 -0.037 0.000 2.390 6 I HA 0.630 4.799 4.170 -0.001 0.000 0.283 6 I C 0.070 176.093 176.117 -0.156 0.000 1.016 6 I CA -0.323 60.929 61.300 -0.081 0.000 1.151 6 I CB 1.359 39.364 38.000 0.009 0.000 1.293 6 I HN 0.687 nan 8.210 nan 0.000 0.458 7 A N 4.291 126.988 122.820 -0.204 0.000 2.347 7 A HA 1.011 5.331 4.320 -0.001 0.000 0.301 7 A C 0.532 177.936 177.584 -0.301 0.000 1.163 7 A CA 0.087 51.982 52.037 -0.236 0.000 0.860 7 A CB 1.167 20.045 19.000 -0.203 0.000 1.367 7 A HN 0.958 nan 8.150 nan 0.000 0.461 8 G N -1.121 107.458 108.800 -0.367 0.000 2.848 8 G HA2 0.515 4.475 3.960 -0.001 0.000 0.246 8 G HA3 0.515 4.475 3.960 -0.001 0.000 0.246 8 G C 1.372 176.065 174.900 -0.345 0.000 1.374 8 G CA 0.809 45.584 45.100 -0.542 0.000 0.982 8 G HN 3.124 nan 8.290 nan 0.000 0.563 9 G N -2.542 106.142 108.800 -0.192 0.000 2.662 9 G HA2 0.321 4.280 3.960 -0.001 0.000 0.686 9 G HA3 0.321 4.280 3.960 -0.001 0.000 0.686 9 G C 0.798 175.755 174.900 0.094 0.000 1.271 9 G CA 1.159 46.221 45.100 -0.063 0.000 0.816 9 G HN 2.313 nan 8.290 nan 0.000 0.608 10 V N -1.510 118.452 119.914 0.079 0.000 3.649 10 V HA 0.529 4.649 4.120 -0.001 0.000 0.275 10 V C 1.451 177.618 176.094 0.122 0.000 1.281 10 V CA 1.352 63.709 62.300 0.095 0.000 1.143 10 V CB -0.490 31.365 31.823 0.053 0.000 0.892 10 V HN 1.992 nan 8.190 nan 0.000 0.441 11 S N 0.148 115.929 115.700 0.135 0.000 2.669 11 S HA 0.532 5.002 4.470 -0.001 0.000 0.270 11 S C -1.495 173.169 174.600 0.108 0.000 1.225 11 S CA -0.963 57.305 58.200 0.112 0.000 0.991 11 S CB 1.043 64.308 63.200 0.109 0.000 0.987 11 S HN 0.191 nan 8.310 nan 0.000 0.552 12 P HA 0.044 nan 4.420 nan 0.000 0.228 12 P C 0.573 177.923 177.300 0.084 0.000 1.151 12 P CA 0.765 63.895 63.100 0.049 0.000 0.770 12 P CB 0.061 31.761 31.700 0.000 0.000 0.786 13 E N -1.783 118.490 120.200 0.121 0.000 2.437 13 E HA -0.069 4.280 4.350 -0.001 0.000 0.189 13 E C 1.466 178.202 176.600 0.226 0.000 1.054 13 E CA -0.016 56.481 56.400 0.161 0.000 0.874 13 E CB -0.588 29.218 29.700 0.177 0.000 1.011 13 E HN 0.472 nan 8.360 nan 0.000 0.474 14 H N 2.360 121.477 119.070 0.078 0.000 2.265 14 H HA -0.178 4.377 4.556 -0.001 0.000 0.293 14 H C 1.272 176.623 175.328 0.038 0.000 1.089 14 H CA 2.134 58.205 56.048 0.038 0.000 1.244 14 H CB 0.427 30.196 29.762 0.010 0.000 1.355 14 H HN 0.268 nan 8.280 nan 0.000 0.485 15 E N -0.242 120.139 120.200 0.301 0.000 2.085 15 E HA -0.118 4.232 4.350 -0.001 0.000 0.194 15 E C 2.576 179.231 176.600 0.091 0.000 0.994 15 E CA 1.306 57.824 56.400 0.197 0.000 0.801 15 E CB 0.029 29.819 29.700 0.151 0.000 0.743 15 E HN 0.278 nan 8.360 nan 0.000 0.453 16 V N 1.032 121.009 119.914 0.106 0.000 2.407 16 V HA -0.253 3.867 4.120 -0.001 0.000 0.248 16 V C 2.454 178.630 176.094 0.137 0.000 1.055 16 V CA 1.807 64.172 62.300 0.108 0.000 1.049 16 V CB -0.438 31.444 31.823 0.098 0.000 0.662 16 V HN 0.257 nan 8.190 nan 0.000 0.455 17 S N -0.230 115.545 115.700 0.125 0.000 2.359 17 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 17 S C 1.930 176.489 174.600 -0.070 0.000 1.035 17 S CA 1.737 59.936 58.200 -0.001 0.000 1.018 17 S CB -0.300 62.789 63.200 -0.185 0.000 0.876 17 S HN 0.528 nan 8.310 nan 0.000 0.448 18 L N 0.768 121.924 121.223 -0.113 0.000 2.093 18 L HA -0.017 4.323 4.340 -0.001 0.000 0.208 18 L C 2.508 179.364 176.870 -0.023 0.000 1.085 18 L CA 0.891 55.672 54.840 -0.098 0.000 0.755 18 L CB -0.446 41.550 42.059 -0.104 0.000 0.904 18 L HN 0.342 nan 8.230 nan 0.000 0.435 19 L N -0.898 120.334 121.223 0.015 0.000 2.131 19 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 19 L C 2.597 179.502 176.870 0.058 0.000 1.092 19 L CA 1.069 55.933 54.840 0.039 0.000 0.759 19 L CB -0.048 42.041 42.059 0.051 0.000 0.903 19 L HN 0.229 nan 8.230 nan 0.000 0.435 20 S N -0.692 115.055 115.700 0.079 0.000 2.395 20 S HA -0.044 4.425 4.470 -0.001 0.000 0.225 20 S C 2.063 176.701 174.600 0.064 0.000 1.027 20 S CA 0.866 59.145 58.200 0.132 0.000 0.965 20 S CB -0.075 63.248 63.200 0.206 0.000 0.812 20 S HN 0.552 nan 8.310 nan 0.000 0.482 21 A N 1.450 124.259 122.820 -0.019 0.000 1.978 21 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 21 A C 1.955 179.529 177.584 -0.017 0.000 1.170 21 A CA 1.832 53.821 52.037 -0.079 0.000 0.636 21 A CB -0.551 18.387 19.000 -0.103 0.000 0.810 21 A HN 0.606 nan 8.150 nan 0.000 0.448 22 E N -0.504 119.708 120.200 0.020 0.000 2.051 22 E HA -0.087 4.263 4.350 -0.001 0.000 0.192 22 E C 2.084 178.747 176.600 0.105 0.000 0.991 22 E CA 1.223 57.652 56.400 0.048 0.000 0.799 22 E CB -0.506 29.219 29.700 0.042 0.000 0.748 22 E HN 0.461 nan 8.360 nan 0.000 0.449 23 G N 0.425 109.301 108.800 0.126 0.000 2.421 23 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 23 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 23 G C 1.654 176.799 174.900 0.409 0.000 1.171 23 G CA 1.209 46.422 45.100 0.189 0.000 0.775 23 G HN 0.244 nan 8.290 nan 0.000 0.543 24 V N 0.849 120.938 119.914 0.291 0.000 2.233 24 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 24 V C 2.728 178.892 176.094 0.116 0.000 1.050 24 V CA 1.594 63.968 62.300 0.125 0.000 1.010 24 V CB -0.787 30.890 31.823 -0.244 0.000 0.637 24 V HN 0.270 nan 8.190 nan 0.000 0.444 25 L N -0.061 121.195 121.223 0.055 0.000 2.051 25 L HA -0.213 4.127 4.340 -0.001 0.000 0.214 25 L C 2.653 179.576 176.870 0.088 0.000 1.076 25 L CA 1.982 56.851 54.840 0.049 0.000 0.758 25 L CB -0.815 41.258 42.059 0.023 0.000 0.890 25 L HN 0.259 nan 8.230 nan 0.000 0.433 26 R N -1.615 118.974 120.500 0.148 0.000 2.062 26 R HA -0.116 4.223 4.340 -0.001 0.000 0.231 26 R C 1.532 177.833 176.300 0.002 0.000 1.136 26 R CA 1.615 57.759 56.100 0.072 0.000 0.948 26 R CB -0.406 29.946 30.300 0.088 0.000 0.845 26 R HN 0.503 nan 8.270 nan 0.000 0.430 27 H N -0.878 118.291 119.070 0.165 0.000 2.520 27 H HA 0.242 4.798 4.556 -0.001 0.000 0.284 27 H C 0.002 175.370 175.328 0.067 0.000 1.037 27 H CA -0.291 55.859 56.048 0.170 0.000 1.168 27 H CB 0.114 30.105 29.762 0.383 0.000 1.497 27 H HN 0.115 nan 8.280 nan 0.000 0.547 28 I N 4.001 124.648 120.570 0.129 0.000 2.379 28 I HA 0.116 4.286 4.170 -0.001 0.000 0.290 28 I C -1.611 174.483 176.117 -0.038 0.000 1.063 28 I CA -2.310 59.010 61.300 0.034 0.000 1.351 28 I CB 1.179 39.224 38.000 0.076 0.000 1.410 28 I HN -0.006 nan 8.210 nan 0.000 0.505 29 P HA 0.095 nan 4.420 nan 0.000 0.277 29 P C -1.029 175.899 177.300 -0.620 0.000 1.617 29 P CA 0.620 63.478 63.100 -0.403 0.000 0.829 29 P CB -0.751 30.639 31.700 -0.517 0.000 1.774 30 F N -0.643 119.330 119.950 0.039 0.000 2.678 30 F HA 0.367 4.893 4.527 -0.001 0.000 0.308 30 F C -2.449 173.378 175.800 0.045 0.000 1.118 30 F CA -2.895 55.130 58.000 0.042 0.000 0.959 30 F CB 1.853 40.886 39.000 0.055 0.000 1.305 30 F HN -0.305 nan 8.300 nan 0.000 0.443 31 P HA 0.208 nan 4.420 nan 0.000 0.271 31 P C -1.095 176.308 177.300 0.173 0.000 1.233 31 P CA 0.122 63.314 63.100 0.153 0.000 0.764 31 P CB 0.783 32.547 31.700 0.106 0.000 0.825 32 T N 2.498 117.142 114.554 0.149 0.000 2.881 32 T HA 0.367 4.717 4.350 -0.001 0.000 0.290 32 T C -0.686 174.095 174.700 0.135 0.000 1.000 32 T CA -0.652 61.543 62.100 0.158 0.000 0.978 32 T CB 1.135 70.085 68.868 0.137 0.000 0.997 32 T HN 0.152 nan 8.240 nan 0.000 0.443 33 D N 1.611 122.124 120.400 0.189 0.000 2.229 33 D HA 0.635 5.275 4.640 -0.001 0.000 0.249 33 D C -0.581 175.742 176.300 0.038 0.000 1.027 33 D CA -0.540 53.553 54.000 0.155 0.000 0.923 33 D CB 1.192 42.198 40.800 0.343 0.000 1.174 33 D HN 0.279 nan 8.370 nan 0.000 0.443 34 L N 0.667 121.900 121.223 0.016 0.000 2.342 34 L HA 0.826 5.165 4.340 -0.001 0.000 0.271 34 L C -1.414 175.443 176.870 -0.022 0.000 1.008 34 L CA -0.628 54.197 54.840 -0.024 0.000 0.818 34 L CB 1.655 43.702 42.059 -0.019 0.000 1.296 34 L HN 0.473 nan 8.230 nan 0.000 0.427 35 A N 3.758 126.557 122.820 -0.036 0.000 2.455 35 A HA 0.806 5.126 4.320 -0.001 0.000 0.300 35 A C -1.757 175.785 177.584 -0.070 0.000 1.040 35 A CA -0.526 51.519 52.037 0.013 0.000 0.697 35 A CB 1.786 20.840 19.000 0.091 0.000 1.265 35 A HN 0.538 nan 8.150 nan 0.000 0.407 36 V N 3.128 123.000 119.914 -0.070 0.000 2.656 36 V HA 0.438 4.557 4.120 -0.001 0.000 0.307 36 V C -0.541 175.378 176.094 -0.292 0.000 1.051 36 V CA -0.343 61.851 62.300 -0.176 0.000 0.893 36 V CB 1.830 33.600 31.823 -0.089 0.000 0.999 36 V HN 0.766 nan 8.190 nan 0.000 0.426 37 I N 4.327 124.629 120.570 -0.447 0.000 2.312 37 I HA 0.547 4.716 4.170 -0.001 0.000 0.290 37 I C 0.728 176.741 176.117 -0.172 0.000 1.008 37 I CA -0.272 60.714 61.300 -0.522 0.000 1.226 37 I CB 1.521 39.121 38.000 -0.666 0.000 1.371 37 I HN 0.710 nan 8.210 nan 0.000 0.468 38 A N 5.304 128.090 122.820 -0.056 0.000 2.332 38 A HA 0.195 4.514 4.320 -0.001 0.000 0.258 38 A C 1.064 178.683 177.584 0.058 0.000 1.087 38 A CA -0.240 51.835 52.037 0.064 0.000 0.802 38 A CB 0.397 19.424 19.000 0.044 0.000 1.042 38 A HN 0.840 nan 8.150 nan 0.000 0.489 39 Q N 0.294 120.113 119.800 0.032 0.000 2.308 39 Q HA -0.195 4.145 4.340 -0.001 0.000 0.209 39 Q C 0.496 176.484 176.000 -0.020 0.000 0.985 39 Q CA 1.569 57.350 55.803 -0.037 0.000 0.881 39 Q CB -0.112 28.508 28.738 -0.198 0.000 0.917 39 Q HN 0.906 nan 8.270 nan 0.000 0.443 40 D N -1.518 118.875 120.400 -0.012 0.000 2.342 40 D HA 0.062 4.701 4.640 -0.001 0.000 0.221 40 D C 1.115 177.416 176.300 0.002 0.000 1.101 40 D CA 0.651 54.647 54.000 -0.006 0.000 0.837 40 D CB 0.313 41.113 40.800 -0.000 0.000 0.938 40 D HN 0.267 nan 8.370 nan 0.000 0.508 41 G N 0.799 109.594 108.800 -0.007 0.000 2.267 41 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.257 41 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.257 41 G C 0.450 175.437 174.900 0.145 0.000 0.998 41 G CA -0.116 44.985 45.100 0.001 0.000 0.620 41 G HN 0.371 nan 8.290 nan 0.000 0.529 42 R N -0.395 120.191 120.500 0.143 0.000 2.539 42 R HA 0.386 4.726 4.340 -0.001 0.000 0.275 42 R C -0.153 176.328 176.300 0.302 0.000 1.077 42 R CA -0.265 55.983 56.100 0.247 0.000 1.097 42 R CB 0.388 30.766 30.300 0.130 0.000 1.018 42 R HN 0.255 nan 8.270 nan 0.000 0.483 43 W N 2.182 123.551 121.300 0.115 0.000 2.375 43 W HA 0.405 5.064 4.660 -0.001 0.000 0.336 43 W C 0.007 176.607 176.519 0.135 0.000 1.160 43 W CA -0.403 57.025 57.345 0.138 0.000 1.266 43 W CB 0.572 30.141 29.460 0.182 0.000 1.195 43 W HN 0.231 nan 8.180 nan 0.000 0.599 44 L N 4.157 125.558 121.223 0.297 0.000 2.342 44 L HA 0.430 4.770 4.340 -0.001 0.000 0.276 44 L C -0.131 176.863 176.870 0.206 0.000 0.997 44 L CA -0.509 54.450 54.840 0.200 0.000 0.838 44 L CB 0.475 42.586 42.059 0.088 0.000 1.224 44 L HN 0.293 nan 8.230 nan 0.000 0.416 45 L N 1.466 122.834 121.223 0.242 0.000 2.805 45 L HA 0.745 5.084 4.340 -0.001 0.000 0.242 45 L C 1.485 178.418 176.870 0.104 0.000 1.180 45 L CA -0.254 54.679 54.840 0.155 0.000 1.001 45 L CB 0.332 42.464 42.059 0.123 0.000 1.864 45 L HN 0.712 nan 8.230 nan 0.000 0.551 46 G N 0.170 109.014 108.800 0.073 0.000 2.632 46 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.322 46 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.322 46 G C 0.724 175.652 174.900 0.047 0.000 1.326 46 G CA 1.114 46.247 45.100 0.056 0.000 0.986 46 G HN 0.735 nan 8.290 nan 0.000 0.541 47 E N 0.349 120.572 120.200 0.040 0.000 2.216 47 E HA 0.087 4.437 4.350 -0.001 0.000 0.192 47 E C 2.490 179.108 176.600 0.030 0.000 0.988 47 E CA 1.601 58.020 56.400 0.030 0.000 0.834 47 E CB -0.166 29.548 29.700 0.024 0.000 0.772 47 E HN 0.579 nan 8.360 nan 0.000 0.479 48 K N 0.090 120.512 120.400 0.037 0.000 2.152 48 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 48 K C 2.095 178.715 176.600 0.032 0.000 1.048 48 K CA 1.034 57.340 56.287 0.032 0.000 0.933 48 K CB -0.201 32.319 32.500 0.034 0.000 0.721 48 K HN 0.169 nan 8.250 nan 0.000 0.447 49 A N 1.504 124.348 122.820 0.040 0.000 1.865 49 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 49 A C 2.099 179.690 177.584 0.012 0.000 1.191 49 A CA 1.510 53.564 52.037 0.027 0.000 0.623 49 A CB -0.565 18.454 19.000 0.031 0.000 0.826 49 A HN 0.114 nan 8.150 nan 0.000 0.444 50 L N -0.340 120.892 121.223 0.015 0.000 2.141 50 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 50 L C 2.615 179.492 176.870 0.012 0.000 1.094 50 L CA 2.087 56.933 54.840 0.011 0.000 0.763 50 L CB -1.149 40.919 42.059 0.014 0.000 0.908 50 L HN 0.318 nan 8.230 nan 0.000 0.437 51 T N -0.354 114.210 114.554 0.016 0.000 2.833 51 T HA -0.170 4.179 4.350 -0.001 0.000 0.269 51 T C 2.017 176.727 174.700 0.017 0.000 1.054 51 T CA 1.300 63.409 62.100 0.015 0.000 1.135 51 T CB -0.287 68.590 68.868 0.016 0.000 0.869 51 T HN 0.429 nan 8.240 nan 0.000 0.466 52 A N 1.667 124.498 122.820 0.019 0.000 1.897 52 A HA 0.141 4.460 4.320 -0.001 0.000 0.215 52 A C 2.184 179.780 177.584 0.021 0.000 1.181 52 A CA 0.632 52.684 52.037 0.026 0.000 0.620 52 A CB -0.683 18.335 19.000 0.029 0.000 0.821 52 A HN 0.429 nan 8.150 nan 0.000 0.443 53 L N 0.183 121.410 121.223 0.006 0.000 2.353 53 L HA -0.132 4.208 4.340 -0.001 0.000 0.220 53 L C 1.529 178.405 176.870 0.010 0.000 1.133 53 L CA 2.163 57.002 54.840 -0.002 0.000 0.798 53 L CB -0.801 41.252 42.059 -0.010 0.000 0.922 53 L HN 0.542 nan 8.230 nan 0.000 0.445 54 E N -0.526 119.683 120.200 0.014 0.000 2.340 54 E HA 0.054 4.403 4.350 -0.001 0.000 0.194 54 E C 1.974 178.585 176.600 0.019 0.000 0.996 54 E CA 0.673 57.082 56.400 0.016 0.000 0.869 54 E CB 0.128 29.836 29.700 0.014 0.000 0.835 54 E HN 0.550 nan 8.360 nan 0.000 0.493 55 A N 0.935 123.769 122.820 0.023 0.000 2.178 55 A HA 0.016 4.335 4.320 -0.001 0.000 0.211 55 A C 0.764 178.369 177.584 0.035 0.000 1.157 55 A CA 0.324 52.376 52.037 0.026 0.000 0.780 55 A CB 0.032 19.048 19.000 0.026 0.000 0.828 55 A HN 0.051 nan 8.150 nan 0.000 0.476 56 K N -3.123 117.302 120.400 0.042 0.000 3.391 56 K HA -0.155 4.164 4.320 -0.001 0.000 0.307 56 K C -0.157 176.504 176.600 0.101 0.000 1.304 56 K CA 1.046 57.366 56.287 0.056 0.000 0.904 56 K CB -2.251 30.275 32.500 0.042 0.000 1.293 56 K HN 1.634 nan 8.250 nan 0.000 0.470 57 A N -1.320 121.579 122.820 0.132 0.000 2.590 57 A HA 0.682 5.001 4.320 -0.001 0.000 0.309 57 A C -1.336 176.349 177.584 0.168 0.000 1.039 57 A CA -0.240 51.931 52.037 0.224 0.000 0.824 57 A CB 0.894 19.932 19.000 0.063 0.000 1.247 57 A HN 0.645 nan 8.150 nan 0.000 0.394 58 A N 4.097 127.077 122.820 0.266 0.000 2.786 58 A HA 0.724 5.043 4.320 -0.001 0.000 0.346 58 A C -1.798 175.789 177.584 0.005 0.000 1.265 58 A CA -1.528 50.586 52.037 0.127 0.000 0.858 58 A CB 0.020 19.124 19.000 0.173 0.000 1.118 58 A HN 0.411 nan 8.150 nan 0.000 0.482 59 P HA -0.206 nan 4.420 nan 0.000 0.215 59 P C 0.374 177.650 177.300 -0.041 0.000 1.163 59 P CA 1.804 64.857 63.100 -0.078 0.000 0.894 59 P CB 0.243 31.913 31.700 -0.050 0.000 0.791 60 E N -1.790 118.403 120.200 -0.011 0.000 2.369 60 E HA 0.639 4.988 4.350 -0.001 0.000 0.270 60 E C -0.483 176.127 176.600 0.016 0.000 0.909 60 E CA -1.187 55.214 56.400 0.001 0.000 0.775 60 E CB 1.751 31.449 29.700 -0.004 0.000 1.270 60 E HN -0.043 nan 8.360 nan 0.000 0.445 61 G N -0.096 108.720 108.800 0.027 0.000 3.013 61 G HA2 0.249 4.208 3.960 -0.001 0.000 0.278 61 G HA3 0.249 4.208 3.960 -0.001 0.000 0.278 61 G C -0.116 174.787 174.900 0.006 0.000 1.353 61 G CA -0.360 44.764 45.100 0.039 0.000 1.043 61 G HN 0.720 nan 8.290 nan 0.000 0.523 62 E N -1.400 118.778 120.200 -0.038 0.000 2.152 62 E HA 0.024 4.374 4.350 -0.001 0.000 0.195 62 E C -0.145 176.309 176.600 -0.244 0.000 0.934 62 E CA -0.103 56.172 56.400 -0.208 0.000 0.869 62 E CB 0.144 29.600 29.700 -0.407 0.000 0.842 62 E HN 0.484 nan 8.360 nan 0.000 0.472 63 H N 1.647 120.788 119.070 0.118 0.000 2.517 63 H HA 0.316 4.871 4.556 -0.002 0.000 0.317 63 H C -2.291 173.099 175.328 0.105 0.000 1.080 63 H CA -2.410 53.686 56.048 0.081 0.000 1.301 63 H CB 1.012 30.799 29.762 0.041 0.000 1.425 63 H HN 0.155 nan 8.280 nan 0.000 0.471 64 P HA -0.014 nan 4.420 nan 0.000 0.271 64 P C -0.105 177.227 177.300 0.055 0.000 1.218 64 P CA -0.264 62.911 63.100 0.125 0.000 0.780 64 P CB 0.413 32.154 31.700 0.067 0.000 0.901 65 F N 4.740 124.673 119.950 -0.029 0.000 2.484 65 F HA 0.315 4.842 4.527 -0.000 0.000 0.360 65 F C -1.689 174.003 175.800 -0.180 0.000 1.101 65 F CA -1.747 56.141 58.000 -0.187 0.000 1.251 65 F CB 0.054 39.001 39.000 -0.088 0.000 1.132 65 F HN 0.244 nan 8.300 nan 0.000 0.570 66 P HA 0.256 nan 4.420 nan 0.000 0.286 66 P C -2.871 173.991 177.300 -0.729 0.000 1.269 66 P CA -1.404 60.781 63.100 -1.525 0.000 0.787 66 P CB 0.833 31.825 31.700 -1.179 0.000 0.920 67 P HA 0.122 nan 4.420 nan 0.000 0.271 67 P C -2.025 175.054 177.300 -0.369 0.000 1.218 67 P CA -1.396 61.369 63.100 -0.558 0.000 0.780 67 P CB -0.196 31.008 31.700 -0.827 0.000 0.901 68 P HA 0.167 nan 4.420 nan 0.000 0.246 68 P C 0.296 177.403 177.300 -0.322 0.000 1.686 68 P CA -0.096 62.826 63.100 -0.298 0.000 0.867 68 P CB -0.143 31.372 31.700 -0.308 0.000 1.733 69 L N 0.300 121.297 121.223 -0.376 0.000 2.453 69 L HA 0.187 4.526 4.340 -0.001 0.000 0.261 69 L C 0.599 177.168 176.870 -0.501 0.000 1.179 69 L CA -0.104 54.419 54.840 -0.528 0.000 0.813 69 L CB 0.763 42.279 42.059 -0.906 0.000 1.110 69 L HN -0.095 nan 8.230 nan 0.000 0.466 70 S N 2.954 118.435 115.700 -0.366 0.000 3.700 70 S HA 0.069 4.538 4.470 -0.001 0.000 0.192 70 S C 0.398 174.960 174.600 -0.063 0.000 1.430 70 S CA -0.454 57.645 58.200 -0.169 0.000 0.999 70 S CB -0.331 62.811 63.200 -0.096 0.000 1.411 70 S HN 0.660 nan 8.310 nan 0.000 0.491 71 W N 1.461 122.832 121.300 0.118 0.000 2.389 71 W HA -0.120 4.541 4.660 0.001 0.000 0.267 71 W C 1.882 178.487 176.519 0.145 0.000 1.219 71 W CA 0.246 57.690 57.345 0.165 0.000 1.189 71 W CB -0.190 29.272 29.460 0.003 0.000 1.129 71 W HN 0.470 nan 8.180 nan 0.000 0.581 72 E N 0.562 120.876 120.200 0.191 0.000 2.085 72 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 72 E C 1.903 178.488 176.600 -0.026 0.000 0.994 72 E CA 1.249 57.693 56.400 0.073 0.000 0.801 72 E CB -0.629 29.080 29.700 0.016 0.000 0.743 72 E HN 0.457 nan 8.360 nan 0.000 0.453 73 R N -0.197 120.193 120.500 -0.184 0.000 2.293 73 R HA -0.079 4.260 4.340 -0.001 0.000 0.219 73 R C 0.209 176.104 176.300 -0.674 0.000 1.091 73 R CA 0.606 56.401 56.100 -0.507 0.000 1.004 73 R CB -0.122 29.683 30.300 -0.825 0.000 0.865 73 R HN 0.174 nan 8.270 nan 0.000 0.469 74 Y N -0.773 119.547 120.300 0.033 0.000 2.468 74 Y HA 0.199 4.748 4.550 -0.001 0.000 0.342 74 Y C 0.837 176.759 175.900 0.037 0.000 1.021 74 Y CA -1.187 56.938 58.100 0.042 0.000 1.079 74 Y CB 1.309 39.821 38.460 0.086 0.000 1.226 74 Y HN -0.206 nan 8.280 nan 0.000 0.460 75 D N 0.767 121.250 120.400 0.139 0.000 2.277 75 D HA 0.101 4.741 4.640 -0.001 0.000 0.209 75 D C -0.375 175.960 176.300 0.057 0.000 0.970 75 D CA 1.143 55.172 54.000 0.049 0.000 0.874 75 D CB 0.848 41.624 40.800 -0.040 0.000 0.982 75 D HN 0.183 nan 8.370 nan 0.000 0.504 76 V N 1.183 121.150 119.914 0.088 0.000 2.932 76 V HA 0.253 4.373 4.120 -0.001 0.000 0.307 76 V C -0.417 175.761 176.094 0.141 0.000 1.147 76 V CA -0.862 61.481 62.300 0.073 0.000 0.951 76 V CB 3.018 34.826 31.823 -0.025 0.000 1.031 76 V HN -0.262 nan 8.190 nan 0.000 0.426 77 V N 4.283 124.298 119.914 0.168 0.000 2.435 77 V HA 0.473 4.593 4.120 -0.001 0.000 0.290 77 V C -0.805 175.433 176.094 0.240 0.000 1.030 77 V CA -0.470 61.952 62.300 0.204 0.000 0.881 77 V CB 1.612 33.586 31.823 0.251 0.000 0.983 77 V HN 0.690 nan 8.190 nan 0.000 0.445 78 F N 8.592 128.573 119.950 0.051 0.000 2.311 78 F HA 0.577 5.104 4.527 -0.001 0.000 0.371 78 F C -2.294 173.511 175.800 0.009 0.000 1.083 78 F CA -3.419 54.594 58.000 0.022 0.000 1.113 78 F CB 1.336 40.319 39.000 -0.029 0.000 1.349 78 F HN 0.318 nan 8.300 nan 0.000 0.470 79 P HA 0.125 nan 4.420 nan 0.000 0.280 79 P C -0.344 177.106 177.300 0.249 0.000 1.244 79 P CA -0.251 62.989 63.100 0.233 0.000 0.784 79 P CB 2.259 34.040 31.700 0.135 0.000 0.913 80 L N 3.160 124.403 121.223 0.033 0.000 3.267 80 L HA 0.255 4.595 4.340 -0.001 0.000 0.289 80 L C -0.125 176.558 176.870 -0.312 0.000 1.260 80 L CA -0.295 54.503 54.840 -0.071 0.000 1.034 80 L CB -0.280 41.674 42.059 -0.174 0.000 1.413 80 L HN 0.191 nan 8.230 nan 0.000 0.594 81 L N -0.075 121.001 121.223 -0.245 0.000 2.439 81 L HA 0.328 4.668 4.340 -0.001 0.000 0.261 81 L C 0.385 177.046 176.870 -0.348 0.000 1.153 81 L CA 0.001 54.652 54.840 -0.315 0.000 0.808 81 L CB 0.164 42.147 42.059 -0.128 0.000 1.126 81 L HN 0.119 nan 8.230 nan 0.000 0.460 82 H N 0.045 119.127 119.070 0.020 0.000 2.670 82 H HA 0.583 5.138 4.556 -0.001 0.000 0.361 82 H C 0.686 176.017 175.328 0.005 0.000 1.169 82 H CA -0.115 55.943 56.048 0.017 0.000 1.198 82 H CB 1.376 31.147 29.762 0.016 0.000 1.700 82 H HN 0.709 nan 8.280 nan 0.000 0.542 83 G N 1.311 110.186 108.800 0.126 0.000 2.602 83 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.306 83 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.306 83 G C 0.114 174.995 174.900 -0.031 0.000 1.301 83 G CA 0.174 45.290 45.100 0.027 0.000 0.974 83 G HN 0.613 nan 8.290 nan 0.000 0.547 84 R N -0.484 119.962 120.500 -0.090 0.000 2.523 84 R HA 0.312 4.651 4.340 -0.001 0.000 0.281 84 R C 0.615 176.802 176.300 -0.188 0.000 0.969 84 R CA 1.110 57.040 56.100 -0.283 0.000 1.093 84 R CB -0.958 29.164 30.300 -0.297 0.000 0.917 84 R HN 0.878 nan 8.270 nan 0.000 0.408 85 F N 0.253 120.181 119.950 -0.036 0.000 3.074 85 F HA -0.259 4.268 4.527 -0.000 0.000 0.289 85 F C 1.142 176.909 175.800 -0.054 0.000 0.863 85 F CA 1.224 59.186 58.000 -0.062 0.000 1.121 85 F CB -1.708 37.243 39.000 -0.082 0.000 1.169 85 F HN 0.710 nan 8.300 nan 0.000 0.570 86 G N 0.243 109.068 108.800 0.042 0.000 2.509 86 G HA2 0.275 4.234 3.960 -0.001 0.000 0.168 86 G HA3 0.275 4.234 3.960 -0.001 0.000 0.168 86 G C 0.624 175.533 174.900 0.015 0.000 1.415 86 G CA 0.189 45.303 45.100 0.024 0.000 0.686 86 G HN 0.405 nan 8.290 nan 0.000 0.677 87 E N 1.172 121.381 120.200 0.014 0.000 2.815 87 E HA 0.210 4.559 4.350 -0.001 0.000 0.211 87 E C -0.304 176.284 176.600 -0.020 0.000 1.004 87 E CA -0.031 56.378 56.400 0.015 0.000 1.173 87 E CB 0.585 30.312 29.700 0.046 0.000 1.163 87 E HN 0.446 nan 8.360 nan 0.000 0.449 88 D N -0.255 120.115 120.400 -0.050 0.000 2.433 88 D HA 0.123 4.762 4.640 -0.001 0.000 0.211 88 D C 1.344 177.607 176.300 -0.063 0.000 1.114 88 D CA 0.325 54.277 54.000 -0.080 0.000 0.837 88 D CB 0.504 41.211 40.800 -0.156 0.000 0.984 88 D HN 0.323 nan 8.370 nan 0.000 0.505 89 G N 0.400 109.178 108.800 -0.037 0.000 2.241 89 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.244 89 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.244 89 G C 1.338 176.229 174.900 -0.015 0.000 0.998 89 G CA 1.029 46.116 45.100 -0.022 0.000 0.621 89 G HN 0.563 nan 8.290 nan 0.000 0.519 90 T N -0.522 114.025 114.554 -0.013 0.000 2.643 90 T HA -0.054 4.295 4.350 -0.001 0.000 0.264 90 T C 2.256 176.993 174.700 0.062 0.000 1.045 90 T CA 2.527 64.647 62.100 0.034 0.000 1.155 90 T CB -0.749 68.171 68.868 0.086 0.000 0.863 90 T HN 0.667 nan 8.240 nan 0.000 0.420 91 V N 2.160 122.114 119.914 0.067 0.000 2.332 91 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 91 V C 2.985 179.075 176.094 -0.007 0.000 1.055 91 V CA 2.071 64.434 62.300 0.106 0.000 1.038 91 V CB -1.087 30.797 31.823 0.101 0.000 0.651 91 V HN 0.407 nan 8.190 nan 0.000 0.450 92 Q N 0.655 120.362 119.800 -0.154 0.000 2.112 92 Q HA -0.143 4.197 4.340 -0.001 0.000 0.206 92 Q C 2.349 178.214 176.000 -0.225 0.000 0.987 92 Q CA 2.023 57.578 55.803 -0.412 0.000 0.858 92 Q CB -1.035 27.569 28.738 -0.223 0.000 0.905 92 Q HN 0.666 nan 8.270 nan 0.000 0.420 93 G N -0.625 108.151 108.800 -0.040 0.000 2.408 93 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 93 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 93 G C 1.275 176.212 174.900 0.061 0.000 1.150 93 G CA 0.417 45.531 45.100 0.023 0.000 0.776 93 G HN 0.413 nan 8.290 nan 0.000 0.542 94 F N 1.148 121.056 119.950 -0.069 0.000 2.069 94 F HA -0.130 4.396 4.527 -0.002 0.000 0.298 94 F C 2.495 178.184 175.800 -0.185 0.000 1.113 94 F CA 1.165 59.132 58.000 -0.055 0.000 1.214 94 F CB -0.040 38.995 39.000 0.057 0.000 0.978 94 F HN 0.041 nan 8.300 nan 0.000 0.474 95 L N 0.198 121.217 121.223 -0.339 0.000 2.042 95 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 95 L C 2.501 179.202 176.870 -0.281 0.000 1.076 95 L CA 1.247 55.784 54.840 -0.506 0.000 0.749 95 L CB -0.899 40.865 42.059 -0.492 0.000 0.893 95 L HN 0.215 nan 8.230 nan 0.000 0.432 96 E N 0.108 120.237 120.200 -0.118 0.000 2.077 96 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 96 E C 2.255 178.803 176.600 -0.087 0.000 0.989 96 E CA 1.066 57.458 56.400 -0.014 0.000 0.800 96 E CB -0.223 29.502 29.700 0.040 0.000 0.746 96 E HN 0.308 nan 8.360 nan 0.000 0.452 97 L N 0.408 121.558 121.223 -0.122 0.000 2.141 97 L HA -0.095 4.245 4.340 -0.001 0.000 0.209 97 L C 2.358 179.098 176.870 -0.216 0.000 1.094 97 L CA 1.191 55.960 54.840 -0.118 0.000 0.763 97 L CB -0.815 41.217 42.059 -0.044 0.000 0.908 97 L HN 0.102 nan 8.230 nan 0.000 0.437 98 L N -0.925 120.051 121.223 -0.411 0.000 2.554 98 L HA 0.116 4.456 4.340 -0.001 0.000 0.226 98 L C 1.415 178.115 176.870 -0.284 0.000 1.137 98 L CA 0.588 55.133 54.840 -0.492 0.000 0.863 98 L CB -0.558 40.893 42.059 -1.013 0.000 0.985 98 L HN 0.506 nan 8.230 nan 0.000 0.451 99 G N 0.510 109.193 108.800 -0.195 0.000 2.176 99 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.252 99 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.252 99 G C 0.109 174.970 174.900 -0.064 0.000 1.024 99 G CA -0.018 45.024 45.100 -0.097 0.000 0.755 99 G HN 0.220 nan 8.290 nan 0.000 0.507 100 K N 0.558 120.906 120.400 -0.087 0.000 2.211 100 K HA 0.420 4.739 4.320 -0.001 0.000 0.275 100 K C -2.511 174.146 176.600 0.094 0.000 1.024 100 K CA -1.892 54.395 56.287 0.000 0.000 0.887 100 K CB 1.773 34.252 32.500 -0.034 0.000 1.084 100 K HN 0.045 nan 8.250 nan 0.000 0.463 101 P HA 0.065 nan 4.420 nan 0.000 0.271 101 P C -1.164 176.184 177.300 0.081 0.000 1.216 101 P CA 0.074 63.174 63.100 0.001 0.000 0.776 101 P CB 0.191 31.867 31.700 -0.039 0.000 0.881 102 Y N -0.492 119.778 120.300 -0.050 0.000 2.562 102 Y HA 0.619 5.169 4.550 -0.001 0.000 0.345 102 Y C -0.870 174.969 175.900 -0.102 0.000 1.045 102 Y CA -1.791 56.277 58.100 -0.053 0.000 1.028 102 Y CB 0.379 38.822 38.460 -0.028 0.000 1.297 102 Y HN -0.010 nan 8.280 nan 0.000 0.463 103 V N 3.660 123.550 119.914 -0.040 0.000 2.715 103 V HA 0.536 4.656 4.120 -0.001 0.000 0.299 103 V C 0.875 176.907 176.094 -0.103 0.000 1.054 103 V CA 1.224 63.371 62.300 -0.255 0.000 1.077 103 V CB 0.234 31.609 31.823 -0.747 0.000 0.972 103 V HN 1.454 nan 8.190 nan 0.000 0.484 104 G N 3.612 112.331 108.800 -0.135 0.000 2.627 104 G HA2 0.217 4.176 3.960 -0.001 0.000 0.214 104 G HA3 0.217 4.176 3.960 -0.001 0.000 0.214 104 G C -0.039 174.862 174.900 0.001 0.000 1.331 104 G CA -0.263 44.821 45.100 -0.027 0.000 0.891 104 G HN 1.614 nan 8.290 nan 0.000 0.539 105 A N -0.106 122.737 122.820 0.038 0.000 2.445 105 A HA 0.706 5.025 4.320 -0.001 0.000 0.242 105 A C 1.356 179.026 177.584 0.143 0.000 1.075 105 A CA 1.409 53.457 52.037 0.017 0.000 0.777 105 A CB 0.140 19.128 19.000 -0.020 0.000 1.013 105 A HN 2.423 nan 8.150 nan 0.000 0.493 106 G N -0.244 108.602 108.800 0.075 0.000 2.563 106 G HA2 0.389 4.349 3.960 -0.001 0.000 0.283 106 G HA3 0.389 4.349 3.960 -0.001 0.000 0.283 106 G C 1.053 176.023 174.900 0.116 0.000 1.309 106 G CA 0.088 45.291 45.100 0.171 0.000 1.022 106 G HN 0.697 nan 8.290 nan 0.000 0.501 107 V N 1.149 121.129 119.914 0.109 0.000 2.214 107 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 107 V C 3.368 179.469 176.094 0.012 0.000 1.051 107 V CA 2.886 65.213 62.300 0.046 0.000 1.003 107 V CB -1.406 30.441 31.823 0.040 0.000 0.635 107 V HN 0.848 nan 8.190 nan 0.000 0.447 108 A N 0.134 122.956 122.820 0.003 0.000 1.869 108 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 108 A C 2.422 179.986 177.584 -0.034 0.000 1.203 108 A CA 3.027 55.054 52.037 -0.017 0.000 0.638 108 A CB -1.222 17.766 19.000 -0.021 0.000 0.831 108 A HN 0.722 nan 8.150 nan 0.000 0.450 109 A N -1.007 121.785 122.820 -0.047 0.000 1.978 109 A HA -0.056 4.263 4.320 -0.001 0.000 0.220 109 A C 2.417 179.964 177.584 -0.062 0.000 1.170 109 A CA 2.163 54.155 52.037 -0.075 0.000 0.636 109 A CB -0.754 18.176 19.000 -0.118 0.000 0.810 109 A HN 0.494 nan 8.150 nan 0.000 0.448 110 S N -0.234 115.446 115.700 -0.033 0.000 2.371 110 S HA 0.055 4.524 4.470 -0.001 0.000 0.224 110 S C 2.337 176.914 174.600 -0.038 0.000 1.029 110 S CA 0.988 59.172 58.200 -0.026 0.000 0.978 110 S CB -0.435 62.764 63.200 -0.002 0.000 0.833 110 S HN 0.792 nan 8.310 nan 0.000 0.466 111 A N 1.703 124.501 122.820 -0.037 0.000 1.902 111 A HA -0.032 4.287 4.320 -0.001 0.000 0.217 111 A C 1.979 179.535 177.584 -0.048 0.000 1.181 111 A CA 1.160 53.171 52.037 -0.043 0.000 0.623 111 A CB -0.608 18.371 19.000 -0.035 0.000 0.818 111 A HN 0.349 nan 8.150 nan 0.000 0.443 112 L N -0.504 120.690 121.223 -0.049 0.000 2.027 112 L HA -0.142 4.198 4.340 -0.001 0.000 0.206 112 L C 2.698 179.525 176.870 -0.071 0.000 1.074 112 L CA 1.401 56.207 54.840 -0.056 0.000 0.745 112 L CB -1.760 40.265 42.059 -0.058 0.000 0.898 112 L HN 0.492 nan 8.230 nan 0.000 0.433 113 C N -0.946 118.309 119.300 -0.075 0.000 2.419 113 C HA -0.155 4.305 4.460 -0.001 0.000 0.281 113 C C 2.806 177.750 174.990 -0.077 0.000 1.336 113 C CA 0.456 59.424 59.018 -0.083 0.000 1.770 113 C CB -0.644 27.049 27.740 -0.078 0.000 1.929 113 C HN 0.531 nan 8.230 nan 0.000 0.509 114 M N 0.722 120.283 119.600 -0.065 0.000 2.447 114 M HA 0.120 4.599 4.480 -0.001 0.000 0.264 114 M C 0.424 176.686 176.300 -0.063 0.000 1.095 114 M CA 1.146 56.409 55.300 -0.062 0.000 1.125 114 M CB -0.374 32.190 32.600 -0.060 0.000 1.389 114 M HN 0.143 nan 8.290 nan 0.000 0.459 115 D N 0.531 120.893 120.400 -0.063 0.000 2.347 115 D HA 0.113 4.752 4.640 -0.001 0.000 0.235 115 D C 0.337 176.591 176.300 -0.078 0.000 1.149 115 D CA 0.145 54.113 54.000 -0.053 0.000 0.850 115 D CB 0.791 41.569 40.800 -0.037 0.000 1.061 115 D HN 0.246 nan 8.370 nan 0.000 0.487 116 K N 2.600 122.954 120.400 -0.076 0.000 2.360 116 K HA -0.131 4.188 4.320 -0.001 0.000 0.201 116 K C 0.767 177.250 176.600 -0.195 0.000 1.046 116 K CA 0.840 57.049 56.287 -0.131 0.000 0.945 116 K CB 0.363 32.810 32.500 -0.089 0.000 0.750 116 K HN 0.423 nan 8.250 nan 0.000 0.464 117 D N 0.862 121.213 120.400 -0.081 0.000 2.355 117 D HA -0.016 4.624 4.640 -0.001 0.000 0.233 117 D C 1.820 178.110 176.300 -0.016 0.000 0.997 117 D CA 0.515 54.515 54.000 0.001 0.000 0.920 117 D CB 0.003 40.903 40.800 0.166 0.000 1.063 117 D HN -0.055 nan 8.370 nan 0.000 0.465 118 L N 0.791 122.019 121.223 0.008 0.000 2.081 118 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 118 L C 2.630 179.471 176.870 -0.048 0.000 1.080 118 L CA 1.583 56.427 54.840 0.007 0.000 0.754 118 L CB -0.850 41.211 42.059 0.003 0.000 0.893 118 L HN 0.205 nan 8.230 nan 0.000 0.433 119 S N -0.422 115.215 115.700 -0.105 0.000 2.383 119 S HA -0.183 4.286 4.470 -0.001 0.000 0.227 119 S C 1.948 176.432 174.600 -0.194 0.000 1.026 119 S CA 0.828 58.948 58.200 -0.133 0.000 0.981 119 S CB -0.216 62.897 63.200 -0.145 0.000 0.818 119 S HN 0.371 nan 8.310 nan 0.000 0.472 120 K N 1.111 121.305 120.400 -0.342 0.000 2.057 120 K HA 0.031 4.350 4.320 -0.001 0.000 0.206 120 K C 2.613 179.046 176.600 -0.279 0.000 1.050 120 K CA 1.291 57.244 56.287 -0.557 0.000 0.935 120 K CB -0.179 31.475 32.500 -1.409 0.000 0.715 120 K HN 0.402 nan 8.250 nan 0.000 0.439 121 R N 0.397 120.864 120.500 -0.056 0.000 2.105 121 R HA -0.107 4.232 4.340 -0.001 0.000 0.239 121 R C 2.277 178.628 176.300 0.086 0.000 1.135 121 R CA 1.200 57.407 56.100 0.179 0.000 0.967 121 R CB -0.486 29.942 30.300 0.213 0.000 0.861 121 R HN 0.003 nan 8.270 nan 0.000 0.442 122 V N 1.421 121.344 119.914 0.015 0.000 2.379 122 V HA -0.183 3.937 4.120 -0.001 0.000 0.245 122 V C 2.272 178.368 176.094 0.004 0.000 1.044 122 V CA 1.551 63.856 62.300 0.007 0.000 1.036 122 V CB -0.349 31.462 31.823 -0.020 0.000 0.664 122 V HN 0.252 nan 8.190 nan 0.000 0.453 123 L N -0.105 121.102 121.223 -0.027 0.000 2.027 123 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 123 L C 2.777 179.663 176.870 0.026 0.000 1.074 123 L CA 1.463 56.292 54.840 -0.019 0.000 0.745 123 L CB -0.886 41.133 42.059 -0.067 0.000 0.898 123 L HN 0.345 nan 8.230 nan 0.000 0.433 124 A N -0.435 122.416 122.820 0.052 0.000 1.859 124 A HA -0.312 4.007 4.320 -0.001 0.000 0.217 124 A C 2.273 179.919 177.584 0.104 0.000 1.198 124 A CA 1.965 54.077 52.037 0.124 0.000 0.629 124 A CB -0.806 18.342 19.000 0.246 0.000 0.830 124 A HN 0.422 nan 8.150 nan 0.000 0.446 125 Q N -0.122 119.737 119.800 0.098 0.000 2.173 125 Q HA -0.188 4.152 4.340 -0.001 0.000 0.208 125 Q C 1.806 177.841 176.000 0.058 0.000 0.989 125 Q CA 2.008 57.857 55.803 0.077 0.000 0.872 125 Q CB -0.509 28.270 28.738 0.068 0.000 0.909 125 Q HN 0.598 nan 8.270 nan 0.000 0.420 126 A N -1.155 121.695 122.820 0.049 0.000 2.370 126 A HA 0.408 4.728 4.320 -0.001 0.000 0.238 126 A C 1.268 178.881 177.584 0.048 0.000 1.289 126 A CA 0.854 52.916 52.037 0.042 0.000 0.885 126 A CB -0.396 18.622 19.000 0.030 0.000 0.961 126 A HN 0.512 nan 8.150 nan 0.000 0.499 127 G N -1.467 107.367 108.800 0.057 0.000 2.162 127 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.260 127 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.260 127 G C 0.195 175.133 174.900 0.064 0.000 0.976 127 G CA 0.245 45.381 45.100 0.060 0.000 0.655 127 G HN 0.813 nan 8.290 nan 0.000 0.533 128 V N 3.133 123.084 119.914 0.062 0.000 2.498 128 V HA 0.457 4.576 4.120 -0.001 0.000 0.279 128 V C -1.055 175.088 176.094 0.081 0.000 1.048 128 V CA -1.317 61.024 62.300 0.067 0.000 0.967 128 V CB 1.450 33.300 31.823 0.045 0.000 0.988 128 V HN 0.267 nan 8.190 nan 0.000 0.473 129 P HA 0.279 nan 4.420 nan 0.000 0.271 129 P C -0.789 176.630 177.300 0.198 0.000 1.216 129 P CA 0.170 63.358 63.100 0.146 0.000 0.771 129 P CB 1.495 33.240 31.700 0.075 0.000 0.864 130 V N 1.163 121.235 119.914 0.262 0.000 3.130 130 V HA 0.446 4.565 4.120 -0.001 0.000 0.310 130 V C -0.217 176.012 176.094 0.226 0.000 1.158 130 V CA -1.280 61.131 62.300 0.185 0.000 1.029 130 V CB 1.721 33.526 31.823 -0.029 0.000 1.057 130 V HN 0.334 nan 8.190 nan 0.000 0.436 131 V N 3.100 123.037 119.914 0.038 0.000 2.655 131 V HA 0.341 4.461 4.120 -0.001 0.000 0.300 131 V C -2.010 174.143 176.094 0.098 0.000 1.044 131 V CA -1.174 61.033 62.300 -0.154 0.000 1.095 131 V CB 1.062 32.780 31.823 -0.175 0.000 0.952 131 V HN 1.027 nan 8.190 nan 0.000 0.485 132 P HA 0.120 nan 4.420 nan 0.000 0.258 132 P C -1.134 176.235 177.300 0.115 0.000 1.187 132 P CA 0.616 63.743 63.100 0.044 0.000 0.767 132 P CB -0.016 31.554 31.700 -0.216 0.000 0.770 133 W N 2.913 124.244 121.300 0.050 0.000 3.060 133 W HA 0.770 5.430 4.660 -0.001 0.000 0.346 133 W C -2.267 174.384 176.519 0.220 0.000 1.194 133 W CA -0.926 56.519 57.345 0.167 0.000 1.105 133 W CB 0.895 30.398 29.460 0.072 0.000 1.487 133 W HN 0.071 nan 8.180 nan 0.000 0.592 134 V N 1.619 121.429 119.914 -0.174 0.000 3.012 134 V HA 0.786 4.905 4.120 -0.001 0.000 0.307 134 V C -0.686 175.414 176.094 0.010 0.000 1.166 134 V CA -0.717 61.404 62.300 -0.299 0.000 0.974 134 V CB 1.767 33.485 31.823 -0.175 0.000 1.040 134 V HN 1.002 nan 8.190 nan 0.000 0.428 135 A N 3.266 126.099 122.820 0.022 0.000 2.324 135 A HA 0.880 5.199 4.320 -0.001 0.000 0.330 135 A C -1.081 176.551 177.584 0.080 0.000 1.165 135 A CA -0.506 51.616 52.037 0.142 0.000 0.813 135 A CB 1.548 20.665 19.000 0.194 0.000 1.197 135 A HN 0.811 nan 8.150 nan 0.000 0.484 136 V N 4.239 124.225 119.914 0.120 0.000 2.409 136 V HA 0.343 4.462 4.120 -0.001 0.000 0.290 136 V C -0.129 176.110 176.094 0.243 0.000 1.017 136 V CA -0.828 61.560 62.300 0.147 0.000 0.841 136 V CB 1.196 33.093 31.823 0.123 0.000 1.003 136 V HN 0.927 nan 8.190 nan 0.000 0.426 137 R N 3.766 124.342 120.500 0.127 0.000 2.539 137 R HA 0.293 4.633 4.340 -0.001 0.000 0.275 137 R C 0.214 176.448 176.300 -0.109 0.000 1.077 137 R CA -0.775 55.333 56.100 0.013 0.000 1.097 137 R CB 1.061 31.349 30.300 -0.020 0.000 1.018 137 R HN 0.711 nan 8.270 nan 0.000 0.483 138 K N 1.121 121.187 120.400 -0.557 0.000 2.472 138 K HA -0.007 4.312 4.320 -0.001 0.000 0.280 138 K C 0.779 177.176 176.600 -0.337 0.000 1.028 138 K CA 0.845 56.533 56.287 -0.998 0.000 1.045 138 K CB -0.157 31.742 32.500 -1.002 0.000 0.902 138 K HN 0.799 nan 8.250 nan 0.000 0.478 139 G N 1.605 110.321 108.800 -0.140 0.000 2.199 139 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.254 139 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.254 139 G C -0.125 174.778 174.900 0.005 0.000 0.982 139 G CA 0.392 45.468 45.100 -0.040 0.000 0.632 139 G HN 0.738 nan 8.290 nan 0.000 0.529 140 E N 1.369 121.585 120.200 0.028 0.000 2.227 140 E HA 0.467 4.816 4.350 -0.001 0.000 0.282 140 E C -2.398 174.243 176.600 0.068 0.000 1.015 140 E CA -2.148 54.276 56.400 0.040 0.000 0.823 140 E CB 1.210 30.931 29.700 0.035 0.000 1.081 140 E HN 0.079 nan 8.360 nan 0.000 0.396 141 P HA 0.117 nan 4.420 nan 0.000 0.264 141 P C -2.466 174.856 177.300 0.037 0.000 1.229 141 P CA -0.816 62.309 63.100 0.041 0.000 0.780 141 P CB 0.050 31.764 31.700 0.024 0.000 0.808 142 P HA 0.040 nan 4.420 nan 0.000 0.265 142 P C -0.707 176.605 177.300 0.020 0.000 1.187 142 P CA 0.435 63.545 63.100 0.018 0.000 0.766 142 P CB 0.486 32.192 31.700 0.011 0.000 0.820 143 V N 3.745 123.649 119.914 -0.017 0.000 2.675 143 V HA 0.078 4.197 4.120 -0.001 0.000 0.266 143 V C -0.408 175.634 176.094 -0.087 0.000 0.974 143 V CA -0.525 61.766 62.300 -0.015 0.000 0.890 143 V CB 1.863 33.670 31.823 -0.026 0.000 1.055 143 V HN 0.191 nan 8.190 nan 0.000 0.477 144 V N 7.056 126.932 119.914 -0.064 0.000 2.334 144 V HA 0.286 4.405 4.120 -0.001 0.000 0.267 144 V C -0.973 174.976 176.094 -0.241 0.000 1.040 144 V CA -1.142 60.952 62.300 -0.345 0.000 0.866 144 V CB 1.567 33.096 31.823 -0.491 0.000 1.019 144 V HN 0.694 nan 8.190 nan 0.000 0.468 145 P HA 0.102 nan 4.420 nan 0.000 0.269 145 P C -0.508 176.882 177.300 0.148 0.000 1.461 145 P CA 0.341 63.434 63.100 -0.012 0.000 0.809 145 P CB -0.493 31.231 31.700 0.040 0.000 1.503 146 F N -2.702 117.354 119.950 0.178 0.000 2.678 146 F HA 0.512 5.039 4.527 -0.001 0.000 0.308 146 F C -0.769 175.189 175.800 0.263 0.000 1.118 146 F CA -1.543 56.561 58.000 0.174 0.000 0.959 146 F CB 0.611 39.689 39.000 0.130 0.000 1.305 146 F HN -0.373 nan 8.300 nan 0.000 0.443 147 D N 2.178 122.824 120.400 0.411 0.000 2.329 147 D HA 0.353 4.992 4.640 -0.001 0.000 0.246 147 D C -2.338 174.036 176.300 0.124 0.000 1.111 147 D CA -0.930 53.245 54.000 0.291 0.000 0.941 147 D CB 1.054 41.962 40.800 0.179 0.000 1.169 147 D HN 0.282 nan 8.370 nan 0.000 0.441 148 P HA 0.133 nan 4.420 nan 0.000 0.274 148 P C -2.277 174.869 177.300 -0.257 0.000 1.264 148 P CA -0.637 62.071 63.100 -0.653 0.000 0.795 148 P CB -0.263 30.967 31.700 -0.783 0.000 1.064 149 P HA 0.339 nan 4.420 nan 0.000 0.278 149 P C -1.068 176.073 177.300 -0.264 0.000 1.266 149 P CA -0.057 62.792 63.100 -0.418 0.000 0.807 149 P CB 0.778 32.330 31.700 -0.246 0.000 1.094 150 F N -3.062 116.816 119.950 -0.120 0.000 2.779 150 F HA 0.621 5.148 4.527 -0.001 0.000 0.316 150 F C -1.454 174.231 175.800 -0.191 0.000 1.164 150 F CA -1.468 56.514 58.000 -0.031 0.000 0.924 150 F CB 0.933 40.045 39.000 0.186 0.000 1.348 150 F HN 0.006 nan 8.300 nan 0.000 0.467 151 F N 1.423 121.526 119.950 0.255 0.000 2.443 151 F HA 0.685 5.211 4.527 -0.001 0.000 0.335 151 F C -0.372 175.426 175.800 -0.003 0.000 1.104 151 F CA -0.971 57.090 58.000 0.102 0.000 1.013 151 F CB 2.160 41.191 39.000 0.052 0.000 1.136 151 F HN 0.218 nan 8.300 nan 0.000 0.470 152 V N 4.021 124.012 119.914 0.128 0.000 2.531 152 V HA 0.531 4.651 4.120 -0.001 0.000 0.301 152 V C -0.857 175.284 176.094 0.078 0.000 1.034 152 V CA -0.954 61.352 62.300 0.011 0.000 0.865 152 V CB 1.744 33.506 31.823 -0.103 0.000 0.995 152 V HN 0.750 nan 8.190 nan 0.000 0.424 153 K N 4.692 125.137 120.400 0.075 0.000 2.542 153 K HA 0.593 4.912 4.320 -0.001 0.000 0.259 153 K C -3.308 173.346 176.600 0.090 0.000 0.932 153 K CA -1.870 54.471 56.287 0.091 0.000 0.820 153 K CB 2.743 35.300 32.500 0.094 0.000 1.345 153 K HN 0.315 nan 8.250 nan 0.000 0.432 154 P HA -0.120 nan 4.420 nan 0.000 0.266 154 P C 0.637 177.994 177.300 0.096 0.000 1.195 154 P CA 0.336 63.523 63.100 0.144 0.000 0.768 154 P CB 0.995 32.816 31.700 0.203 0.000 0.838 155 A N 4.428 127.307 122.820 0.099 0.000 1.896 155 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 155 A C 1.018 178.615 177.584 0.021 0.000 1.206 155 A CA 1.929 54.003 52.037 0.062 0.000 0.647 155 A CB -1.123 17.919 19.000 0.070 0.000 0.828 155 A HN 0.832 nan 8.150 nan 0.000 0.455 156 N N -1.990 116.722 118.700 0.019 0.000 2.675 156 N HA 0.380 5.120 4.740 -0.001 0.000 0.254 156 N C -1.564 173.934 175.510 -0.020 0.000 1.224 156 N CA -0.314 52.727 53.050 -0.015 0.000 0.777 156 N CB 1.475 39.942 38.487 -0.034 0.000 1.256 156 N HN -0.019 nan 8.380 nan 0.000 0.531 157 T N 0.416 114.957 114.554 -0.021 0.000 3.566 157 T HA 0.292 4.641 4.350 -0.001 0.000 0.330 157 T C 0.613 175.282 174.700 -0.051 0.000 0.877 157 T CA -0.659 61.419 62.100 -0.035 0.000 1.030 157 T CB 1.206 70.067 68.868 -0.012 0.000 1.033 157 T HN 0.559 nan 8.240 nan 0.000 0.463 158 G N 1.929 110.700 108.800 -0.050 0.000 2.760 158 G HA2 0.402 4.361 3.960 -0.001 0.000 0.236 158 G HA3 0.402 4.361 3.960 -0.001 0.000 0.236 158 G C -0.087 174.778 174.900 -0.058 0.000 1.243 158 G CA 0.213 45.286 45.100 -0.044 0.000 0.850 158 G HN 1.218 nan 8.290 nan 0.000 0.595 159 S N -1.298 114.368 115.700 -0.057 0.000 3.465 159 S HA -0.186 4.284 4.470 -0.001 0.000 0.849 159 S C 0.793 175.354 174.600 -0.066 0.000 1.200 159 S CA 0.218 58.382 58.200 -0.060 0.000 0.947 159 S CB -0.812 62.353 63.200 -0.058 0.000 0.609 159 S HN 1.201 nan 8.310 nan 0.000 0.300 160 S N 0.465 116.135 115.700 -0.051 0.000 3.305 160 S HA 0.170 4.639 4.470 -0.001 0.000 0.248 160 S C 0.305 174.867 174.600 -0.063 0.000 1.288 160 S CA 0.142 58.322 58.200 -0.035 0.000 1.249 160 S CB -0.257 62.939 63.200 -0.007 0.000 1.116 160 S HN 0.724 nan 8.310 nan 0.000 0.465 161 V N 1.870 121.702 119.914 -0.137 0.000 2.322 161 V HA 0.591 4.711 4.120 -0.001 0.000 0.258 161 V C 0.967 176.835 176.094 -0.377 0.000 1.074 161 V CA 0.868 63.001 62.300 -0.278 0.000 0.909 161 V CB -0.171 31.417 31.823 -0.393 0.000 1.090 161 V HN 0.693 nan 8.190 nan 0.000 0.486 162 G N 5.680 114.409 108.800 -0.118 0.000 2.211 162 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.201 162 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.201 162 G C 0.158 175.146 174.900 0.147 0.000 0.997 162 G CA -0.017 45.191 45.100 0.179 0.000 0.652 162 G HN 0.677 nan 8.290 nan 0.000 0.500 163 I N 1.677 122.299 120.570 0.088 0.000 3.079 163 I HA 0.560 4.730 4.170 -0.001 0.000 0.295 163 I C 0.853 177.042 176.117 0.120 0.000 1.094 163 I CA 0.376 61.748 61.300 0.121 0.000 1.295 163 I CB 1.475 39.558 38.000 0.137 0.000 1.443 163 I HN 0.534 nan 8.210 nan 0.000 0.607 164 S N 2.642 118.425 115.700 0.138 0.000 2.578 164 S HA 0.353 4.823 4.470 -0.001 0.000 0.285 164 S C -0.972 173.576 174.600 -0.087 0.000 1.126 164 S CA -1.154 57.076 58.200 0.049 0.000 0.878 164 S CB 1.460 64.671 63.200 0.018 0.000 1.091 164 S HN 0.699 nan 8.310 nan 0.000 0.450 165 R N 1.573 121.924 120.500 -0.248 0.000 2.254 165 R HA 0.674 5.013 4.340 -0.001 0.000 0.318 165 R C -1.366 174.770 176.300 -0.273 0.000 1.031 165 R CA -0.509 55.238 56.100 -0.588 0.000 0.905 165 R CB 0.858 30.789 30.300 -0.615 0.000 1.050 165 R HN 0.624 nan 8.270 nan 0.000 0.456 166 V N 5.261 125.065 119.914 -0.184 0.000 2.384 166 V HA 0.174 4.293 4.120 -0.001 0.000 0.287 166 V C 0.399 176.349 176.094 -0.241 0.000 1.020 166 V CA -0.567 61.688 62.300 -0.075 0.000 0.850 166 V CB 1.575 33.526 31.823 0.214 0.000 0.987 166 V HN 0.875 nan 8.190 nan 0.000 0.436 167 E N 3.317 123.395 120.200 -0.204 0.000 2.099 167 E HA 0.127 4.476 4.350 -0.001 0.000 0.191 167 E C 0.621 177.085 176.600 -0.228 0.000 0.962 167 E CA 0.548 56.816 56.400 -0.219 0.000 0.826 167 E CB 0.314 29.932 29.700 -0.136 0.000 0.788 167 E HN 0.518 nan 8.360 nan 0.000 0.461 168 R N 0.505 120.917 120.500 -0.146 0.000 2.312 168 R HA 0.218 4.557 4.340 -0.001 0.000 0.311 168 R C 0.553 176.828 176.300 -0.041 0.000 1.004 168 R CA -0.424 55.630 56.100 -0.077 0.000 0.902 168 R CB 0.690 30.976 30.300 -0.024 0.000 1.073 168 R HN -0.002 nan 8.270 nan 0.000 0.457 169 F N 2.820 122.701 119.950 -0.115 0.000 2.346 169 F HA -0.239 4.288 4.527 -0.001 0.000 0.301 169 F C 2.355 178.164 175.800 0.014 0.000 1.070 169 F CA 1.733 59.712 58.000 -0.036 0.000 1.407 169 F CB 0.096 39.071 39.000 -0.041 0.000 1.072 169 F HN 0.596 nan 8.300 nan 0.000 0.543 170 Q N -0.983 118.933 119.800 0.193 0.000 2.096 170 Q HA -0.137 4.202 4.340 -0.001 0.000 0.197 170 Q C 1.170 177.218 176.000 0.080 0.000 0.964 170 Q CA 1.504 57.382 55.803 0.125 0.000 0.838 170 Q CB -0.606 28.173 28.738 0.067 0.000 0.906 170 Q HN 0.201 nan 8.270 nan 0.000 0.444 171 D N 1.027 121.455 120.400 0.047 0.000 2.371 171 D HA -0.061 4.579 4.640 -0.001 0.000 0.221 171 D C 1.713 178.026 176.300 0.022 0.000 0.986 171 D CA 0.226 54.239 54.000 0.021 0.000 0.899 171 D CB 0.069 40.868 40.800 -0.001 0.000 0.902 171 D HN 0.196 nan 8.370 nan 0.000 0.530 172 L N 1.175 122.428 121.223 0.049 0.000 2.187 172 L HA -0.172 4.167 4.340 -0.001 0.000 0.213 172 L C 1.818 178.658 176.870 -0.049 0.000 1.100 172 L CA 1.640 56.489 54.840 0.015 0.000 0.765 172 L CB -0.178 41.886 42.059 0.009 0.000 0.904 172 L HN -0.144 nan 8.230 nan 0.000 0.437 173 E N -0.105 120.085 120.200 -0.017 0.000 2.106 173 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 173 E C 2.234 178.794 176.600 -0.068 0.000 0.984 173 E CA 1.232 57.609 56.400 -0.038 0.000 0.806 173 E CB -0.516 29.185 29.700 0.002 0.000 0.750 173 E HN 0.628 nan 8.360 nan 0.000 0.458 174 A N 1.615 124.407 122.820 -0.046 0.000 1.898 174 A HA 0.003 4.323 4.320 -0.001 0.000 0.216 174 A C 2.442 179.978 177.584 -0.081 0.000 1.181 174 A CA 1.825 53.834 52.037 -0.048 0.000 0.620 174 A CB -0.594 18.391 19.000 -0.024 0.000 0.819 174 A HN 0.256 nan 8.150 nan 0.000 0.442 175 A N 0.146 122.914 122.820 -0.087 0.000 1.865 175 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 175 A C 2.193 179.652 177.584 -0.208 0.000 1.191 175 A CA 1.673 53.646 52.037 -0.107 0.000 0.623 175 A CB -0.806 18.140 19.000 -0.091 0.000 0.826 175 A HN 0.480 nan 8.150 nan 0.000 0.444 176 L N -0.808 120.219 121.223 -0.327 0.000 1.970 176 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 176 L C 3.158 179.569 176.870 -0.764 0.000 1.071 176 L CA 1.380 55.806 54.840 -0.689 0.000 0.751 176 L CB -0.897 40.708 42.059 -0.757 0.000 0.889 176 L HN 0.459 nan 8.230 nan 0.000 0.432 177 A N 0.218 122.794 122.820 -0.406 0.000 1.896 177 A HA -0.306 4.013 4.320 -0.001 0.000 0.220 177 A C 2.227 179.749 177.584 -0.103 0.000 1.206 177 A CA 2.461 54.411 52.037 -0.146 0.000 0.647 177 A CB -0.990 17.979 19.000 -0.053 0.000 0.828 177 A HN 0.390 nan 8.150 nan 0.000 0.455 178 L N -0.294 120.863 121.223 -0.110 0.000 1.955 178 L HA -0.111 4.228 4.340 -0.001 0.000 0.213 178 L C 2.680 179.515 176.870 -0.058 0.000 1.072 178 L CA 2.806 57.610 54.840 -0.060 0.000 0.755 178 L CB -1.188 40.869 42.059 -0.003 0.000 0.888 178 L HN 0.372 nan 8.230 nan 0.000 0.432 179 A N -0.946 121.853 122.820 -0.035 0.000 1.948 179 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 179 A C 2.320 179.986 177.584 0.136 0.000 1.177 179 A CA 2.011 54.096 52.037 0.078 0.000 0.636 179 A CB -1.356 17.644 19.000 0.000 0.000 0.815 179 A HN 0.615 nan 8.150 nan 0.000 0.449 180 F N -0.572 119.352 119.950 -0.044 0.000 2.408 180 F HA -0.183 4.344 4.527 -0.001 0.000 0.300 180 F C 2.560 178.273 175.800 -0.144 0.000 1.090 180 F CA 0.659 58.621 58.000 -0.064 0.000 1.427 180 F CB -0.094 38.873 39.000 -0.054 0.000 1.070 180 F HN 0.225 nan 8.300 nan 0.000 0.549 181 R N -0.654 119.770 120.500 -0.128 0.000 2.152 181 R HA -0.171 4.168 4.340 -0.001 0.000 0.232 181 R C 0.901 176.910 176.300 -0.486 0.000 1.117 181 R CA 1.329 57.173 56.100 -0.427 0.000 0.981 181 R CB -0.235 29.584 30.300 -0.802 0.000 0.870 181 R HN 0.345 nan 8.270 nan 0.000 0.451 182 Y N -1.325 119.028 120.300 0.088 0.000 2.467 182 Y HA 0.327 4.876 4.550 -0.001 0.000 0.250 182 Y C -0.236 175.696 175.900 0.055 0.000 1.155 182 Y CA -0.735 57.401 58.100 0.060 0.000 1.249 182 Y CB 0.668 39.157 38.460 0.048 0.000 1.146 182 Y HN -0.140 nan 8.280 nan 0.000 0.524 183 D N -0.927 119.572 120.400 0.164 0.000 2.745 183 D HA 0.121 4.761 4.640 -0.001 0.000 0.221 183 D C 0.187 176.533 176.300 0.077 0.000 1.237 183 D CA -0.323 53.748 54.000 0.118 0.000 0.781 183 D CB 1.297 42.181 40.800 0.138 0.000 1.575 183 D HN 0.059 nan 8.370 nan 0.000 0.482 184 E N 0.824 121.016 120.200 -0.015 0.000 2.150 184 E HA -0.089 4.261 4.350 -0.001 0.000 0.193 184 E C 0.368 176.885 176.600 -0.139 0.000 0.985 184 E CA 0.797 57.111 56.400 -0.144 0.000 0.814 184 E CB 0.377 30.006 29.700 -0.119 0.000 0.752 184 E HN 0.184 nan 8.360 nan 0.000 0.466 185 K N 0.106 120.524 120.400 0.030 0.000 2.156 185 K HA 0.549 4.869 4.320 -0.001 0.000 0.254 185 K C -1.354 175.385 176.600 0.231 0.000 0.950 185 K CA -0.442 55.916 56.287 0.119 0.000 0.849 185 K CB 1.699 34.247 32.500 0.079 0.000 1.100 185 K HN -0.046 nan 8.250 nan 0.000 0.434 186 A N 1.908 124.895 122.820 0.279 0.000 2.566 186 A HA 0.634 4.954 4.320 -0.001 0.000 0.292 186 A C -1.259 176.415 177.584 0.150 0.000 1.112 186 A CA -0.738 51.423 52.037 0.207 0.000 0.707 186 A CB 1.521 20.622 19.000 0.169 0.000 1.302 186 A HN 0.562 nan 8.150 nan 0.000 0.409 187 V N -1.198 118.787 119.914 0.119 0.000 2.680 187 V HA 0.862 4.981 4.120 -0.001 0.000 0.309 187 V C -0.744 175.402 176.094 0.086 0.000 1.052 187 V CA -0.760 61.637 62.300 0.162 0.000 0.908 187 V CB 1.331 33.276 31.823 0.204 0.000 1.001 187 V HN 0.769 nan 8.190 nan 0.000 0.431 188 V N 3.766 123.729 119.914 0.082 0.000 2.350 188 V HA 0.534 4.654 4.120 -0.001 0.000 0.285 188 V C -0.178 176.055 176.094 0.232 0.000 1.014 188 V CA -0.310 61.951 62.300 -0.065 0.000 0.831 188 V CB 0.937 32.531 31.823 -0.382 0.000 1.000 188 V HN 1.051 nan 8.190 nan 0.000 0.433 189 E N 3.049 123.401 120.200 0.253 0.000 2.183 189 E HA 0.386 4.735 4.350 -0.001 0.000 0.271 189 E C -0.559 176.171 176.600 0.216 0.000 0.919 189 E CA -1.003 55.559 56.400 0.269 0.000 0.781 189 E CB 2.467 32.277 29.700 0.183 0.000 1.140 189 E HN 0.559 nan 8.360 nan 0.000 0.402 190 K N 2.022 122.286 120.400 -0.226 0.000 2.453 190 K HA 0.125 4.444 4.320 -0.001 0.000 0.280 190 K C -0.544 176.031 176.600 -0.041 0.000 1.045 190 K CA -0.162 55.938 56.287 -0.311 0.000 1.059 190 K CB 0.337 32.360 32.500 -0.795 0.000 0.901 190 K HN 0.570 nan 8.250 nan 0.000 0.475 191 A N 5.754 128.658 122.820 0.140 0.000 2.450 191 A HA 0.267 4.586 4.320 -0.001 0.000 0.255 191 A C -0.232 177.351 177.584 -0.000 0.000 1.096 191 A CA -0.459 51.690 52.037 0.187 0.000 0.778 191 A CB 0.109 19.222 19.000 0.188 0.000 1.031 191 A HN 0.779 nan 8.150 nan 0.000 0.494 192 L N 1.994 123.160 121.223 -0.096 0.000 2.343 192 L HA 0.734 5.074 4.340 -0.001 0.000 0.275 192 L C 0.479 177.312 176.870 -0.061 0.000 1.056 192 L CA -0.303 54.459 54.840 -0.129 0.000 0.804 192 L CB 1.693 43.605 42.059 -0.246 0.000 1.203 192 L HN 0.755 nan 8.230 nan 0.000 0.440 193 S N 1.640 117.326 115.700 -0.023 0.000 2.674 193 S HA 0.345 4.815 4.470 -0.001 0.000 0.321 193 S C -2.658 171.950 174.600 0.014 0.000 0.934 193 S CA -1.047 57.156 58.200 0.004 0.000 0.827 193 S CB 0.760 63.967 63.200 0.012 0.000 1.041 193 S HN 0.483 nan 8.310 nan 0.000 0.470 194 P HA 0.499 nan 4.420 nan 0.000 0.270 194 P C -1.246 176.078 177.300 0.040 0.000 1.227 194 P CA -0.534 62.586 63.100 0.034 0.000 0.788 194 P CB 0.608 32.329 31.700 0.036 0.000 0.926 195 V N 1.219 121.164 119.914 0.052 0.000 2.882 195 V HA 0.367 4.486 4.120 -0.001 0.000 0.295 195 V C -1.204 174.960 176.094 0.115 0.000 1.273 195 V CA -0.678 61.664 62.300 0.070 0.000 0.949 195 V CB 1.820 33.634 31.823 -0.016 0.000 1.071 195 V HN 0.505 nan 8.190 nan 0.000 0.432 196 R N 4.076 124.663 120.500 0.145 0.000 2.604 196 R HA 0.692 5.032 4.340 -0.001 0.000 0.287 196 R C -0.896 175.529 176.300 0.209 0.000 0.970 196 R CA -0.700 55.482 56.100 0.138 0.000 0.946 196 R CB 2.053 32.404 30.300 0.085 0.000 1.127 196 R HN 0.703 nan 8.270 nan 0.000 0.473 197 E N 2.718 123.015 120.200 0.162 0.000 2.158 197 E HA 0.322 4.671 4.350 -0.001 0.000 0.271 197 E C -0.856 175.785 176.600 0.069 0.000 0.911 197 E CA -0.461 56.039 56.400 0.166 0.000 0.767 197 E CB 1.691 31.489 29.700 0.164 0.000 1.120 197 E HN 0.217 nan 8.360 nan 0.000 0.405 198 L N 2.743 124.015 121.223 0.081 0.000 2.346 198 L HA 0.462 4.801 4.340 -0.001 0.000 0.276 198 L C -0.055 176.852 176.870 0.062 0.000 1.006 198 L CA -0.900 53.961 54.840 0.035 0.000 0.817 198 L CB 1.475 43.534 42.059 0.001 0.000 1.272 198 L HN 0.356 nan 8.230 nan 0.000 0.421 199 E N 2.432 122.635 120.200 0.006 0.000 2.238 199 E HA 0.662 5.011 4.350 -0.001 0.000 0.267 199 E C -1.260 175.326 176.600 -0.024 0.000 0.887 199 E CA -0.589 55.822 56.400 0.018 0.000 0.769 199 E CB 3.377 33.065 29.700 -0.020 0.000 1.187 199 E HN 0.256 nan 8.360 nan 0.000 0.416 200 V N 0.646 120.569 119.914 0.014 0.000 2.851 200 V HA 0.749 4.869 4.120 -0.001 0.000 0.307 200 V C -0.648 175.416 176.094 -0.050 0.000 1.129 200 V CA -0.419 61.837 62.300 -0.074 0.000 0.932 200 V CB 2.147 33.928 31.823 -0.069 0.000 1.024 200 V HN 0.691 nan 8.190 nan 0.000 0.426 201 G N 4.046 112.704 108.800 -0.237 0.000 2.400 201 G HA2 0.660 4.620 3.960 -0.001 0.000 0.333 201 G HA3 0.660 4.620 3.960 -0.001 0.000 0.333 201 G C -1.332 173.549 174.900 -0.031 0.000 1.143 201 G CA -0.569 44.455 45.100 -0.126 0.000 0.914 201 G HN 0.936 nan 8.290 nan 0.000 0.480 202 V N 1.543 121.654 119.914 0.328 0.000 2.656 202 V HA 0.622 4.742 4.120 -0.001 0.000 0.307 202 V C -0.689 175.579 176.094 0.290 0.000 1.051 202 V CA -0.770 61.611 62.300 0.136 0.000 0.893 202 V CB 1.650 33.200 31.823 -0.455 0.000 0.999 202 V HN 0.710 nan 8.190 nan 0.000 0.426 203 L N 3.330 124.646 121.223 0.155 0.000 2.381 203 L HA 1.059 5.398 4.340 -0.001 0.000 0.268 203 L C -0.019 176.845 176.870 -0.010 0.000 0.997 203 L CA 0.825 55.682 54.840 0.029 0.000 0.818 203 L CB 1.876 43.754 42.059 -0.302 0.000 1.310 203 L HN 1.103 nan 8.230 nan 0.000 0.416 204 G N 2.489 111.327 108.800 0.064 0.000 2.392 204 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.677 204 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.677 204 G C -1.695 173.335 174.900 0.216 0.000 1.334 204 G CA -0.993 44.168 45.100 0.101 0.000 0.961 204 G HN 0.678 nan 8.290 nan 0.000 0.616 205 N N 0.764 119.563 118.700 0.166 0.000 2.439 205 N HA 0.488 5.228 4.740 -0.001 0.000 0.249 205 N C 1.532 177.122 175.510 0.133 0.000 1.003 205 N CA 0.527 53.658 53.050 0.134 0.000 0.942 205 N CB 1.604 40.127 38.487 0.060 0.000 1.115 205 N HN 1.223 nan 8.380 nan 0.000 0.505 206 V N 1.346 121.307 119.914 0.078 0.000 0.524 206 V HA -0.365 3.755 4.120 -0.001 0.000 0.092 206 V C 0.090 176.049 176.094 -0.226 0.000 2.204 206 V CA 1.672 63.865 62.300 -0.179 0.000 3.556 206 V CB -1.256 30.323 31.823 -0.406 0.000 0.846 206 V HN 0.605 nan 8.190 nan 0.000 0.884 207 F N 1.892 121.944 119.950 0.169 0.000 2.300 207 F HA 0.707 5.233 4.527 -0.001 0.000 0.364 207 F C 0.843 176.694 175.800 0.085 0.000 1.090 207 F CA 0.430 58.501 58.000 0.119 0.000 1.200 207 F CB 0.931 39.971 39.000 0.067 0.000 1.493 207 F HN 0.272 nan 8.300 nan 0.000 0.518 208 G N 1.645 110.520 108.800 0.126 0.000 2.552 208 G HA2 0.595 4.554 3.960 -0.001 0.000 0.318 208 G HA3 0.595 4.554 3.960 -0.001 0.000 0.318 208 G C -1.011 173.879 174.900 -0.017 0.000 1.240 208 G CA -0.730 44.363 45.100 -0.012 0.000 1.002 208 G HN 0.509 nan 8.290 nan 0.000 0.493 209 E N -1.149 119.052 120.200 0.003 0.000 2.212 209 E HA 0.654 5.003 4.350 -0.001 0.000 0.270 209 E C -0.550 176.095 176.600 0.075 0.000 0.956 209 E CA -0.959 55.471 56.400 0.051 0.000 0.825 209 E CB 1.995 31.750 29.700 0.090 0.000 1.167 209 E HN 0.525 nan 8.360 nan 0.000 0.400 210 A N 1.753 124.587 122.820 0.023 0.000 2.312 210 A HA 0.469 4.789 4.320 -0.001 0.000 0.326 210 A C 0.158 177.655 177.584 -0.146 0.000 1.172 210 A CA -0.499 51.502 52.037 -0.060 0.000 0.821 210 A CB 1.026 19.977 19.000 -0.082 0.000 1.166 210 A HN 0.747 nan 8.150 nan 0.000 0.493 211 S N 2.278 117.702 115.700 -0.461 0.000 2.686 211 S HA 0.675 5.144 4.470 -0.001 0.000 0.270 211 S C -2.600 171.774 174.600 -0.377 0.000 1.194 211 S CA -1.146 56.655 58.200 -0.665 0.000 0.990 211 S CB 0.241 62.533 63.200 -1.513 0.000 1.029 211 S HN 0.444 nan 8.310 nan 0.000 0.560 212 P HA 0.233 nan 4.420 nan 0.000 0.272 212 P C -1.011 176.155 177.300 -0.223 0.000 1.254 212 P CA -0.488 62.486 63.100 -0.209 0.000 0.795 212 P CB 0.284 31.884 31.700 -0.166 0.000 1.022 213 V N 0.575 120.384 119.914 -0.175 0.000 2.481 213 V HA 0.653 4.773 4.120 -0.001 0.000 0.286 213 V C 0.807 176.819 176.094 -0.138 0.000 1.042 213 V CA -0.025 62.175 62.300 -0.167 0.000 0.928 213 V CB 1.055 32.776 31.823 -0.170 0.000 0.986 213 V HN 0.725 nan 8.190 nan 0.000 0.462 214 G N 2.734 111.459 108.800 -0.125 0.000 2.498 214 G HA2 0.680 4.640 3.960 -0.001 0.000 0.312 214 G HA3 0.680 4.640 3.960 -0.001 0.000 0.312 214 G C -1.330 173.519 174.900 -0.084 0.000 1.230 214 G CA -0.466 44.572 45.100 -0.104 0.000 0.968 214 G HN 0.676 nan 8.290 nan 0.000 0.481 215 E N 0.191 120.342 120.200 -0.082 0.000 2.199 215 E HA 0.521 4.870 4.350 -0.001 0.000 0.269 215 E C -1.079 175.455 176.600 -0.109 0.000 0.899 215 E CA -0.647 55.707 56.400 -0.076 0.000 0.772 215 E CB 2.176 31.837 29.700 -0.065 0.000 1.155 215 E HN 0.198 nan 8.360 nan 0.000 0.408 216 V N 4.782 124.616 119.914 -0.133 0.000 2.350 216 V HA 0.439 4.559 4.120 -0.001 0.000 0.276 216 V C -0.107 175.748 176.094 -0.398 0.000 1.028 216 V CA -0.450 61.695 62.300 -0.257 0.000 0.860 216 V CB 1.114 32.786 31.823 -0.252 0.000 0.990 216 V HN 0.628 nan 8.190 nan 0.000 0.453 217 R N 3.343 123.591 120.500 -0.421 0.000 2.599 217 R HA 0.605 4.945 4.340 -0.001 0.000 0.295 217 R C -1.543 174.474 176.300 -0.471 0.000 0.963 217 R CA -0.497 55.380 56.100 -0.371 0.000 0.883 217 R CB 1.670 31.872 30.300 -0.163 0.000 1.171 217 R HN 0.628 nan 8.270 nan 0.000 0.450 218 Y N 0.965 121.269 120.300 0.006 0.000 2.342 218 Y HA 0.330 4.880 4.550 -0.001 0.000 0.334 218 Y C 0.430 176.315 175.900 -0.025 0.000 1.067 218 Y CA -0.687 57.413 58.100 -0.001 0.000 1.128 218 Y CB 1.425 39.899 38.460 0.023 0.000 1.200 218 Y HN 0.384 nan 8.280 nan 0.000 0.464 219 E N 1.358 121.603 120.200 0.075 0.000 2.318 219 E HA 0.557 4.906 4.350 -0.001 0.000 0.265 219 E C -0.331 176.241 176.600 -0.047 0.000 1.069 219 E CA -0.929 55.445 56.400 -0.042 0.000 0.893 219 E CB 0.965 30.570 29.700 -0.158 0.000 1.076 219 E HN 0.757 nan 8.360 nan 0.000 0.414 220 A N 2.763 125.534 122.820 -0.083 0.000 2.536 220 A HA 0.116 4.436 4.320 -0.001 0.000 0.234 220 A C -1.957 175.614 177.584 -0.021 0.000 1.076 220 A CA -0.747 51.271 52.037 -0.032 0.000 0.769 220 A CB -0.579 18.401 19.000 -0.032 0.000 1.020 220 A HN 0.382 nan 8.150 nan 0.000 0.508 221 P HA 0.507 nan 4.420 nan 0.000 0.274 221 P C -0.931 176.667 177.300 0.498 0.000 1.231 221 P CA 0.304 63.648 63.100 0.407 0.000 0.790 221 P CB 0.649 32.697 31.700 0.580 0.000 0.951 230 T N 8.402 122.787 114.554 -0.282 0.000 2.855 230 T HA 0.568 4.917 4.350 -0.001 0.000 0.281 230 T C -2.825 171.778 174.700 -0.162 0.000 1.007 230 T CA -1.645 60.243 62.100 -0.353 0.000 1.009 230 T CB 1.890 70.598 68.868 -0.267 0.000 0.983 230 T HN 0.390 nan 8.240 nan 0.000 0.455 231 P HA 0.293 nan 4.420 nan 0.000 0.272 231 P C 0.189 177.677 177.300 0.314 0.000 1.230 231 P CA -0.196 62.938 63.100 0.056 0.000 0.788 231 P CB 0.429 32.109 31.700 -0.035 0.000 0.949 232 G N 1.276 110.223 108.800 0.245 0.000 2.539 232 G HA2 0.192 4.151 3.960 -0.001 0.000 0.258 232 G HA3 0.192 4.151 3.960 -0.001 0.000 0.258 232 G C -0.437 174.550 174.900 0.144 0.000 1.202 232 G CA -0.595 44.559 45.100 0.090 0.000 0.851 232 G HN 0.519 nan 8.290 nan 0.000 0.556 233 R N 0.689 121.233 120.500 0.074 0.000 2.480 233 R HA 0.281 4.621 4.340 -0.001 0.000 0.303 233 R C 0.420 176.765 176.300 0.074 0.000 0.985 233 R CA 0.025 56.188 56.100 0.105 0.000 1.051 233 R CB -0.045 30.297 30.300 0.070 0.000 0.935 233 R HN 0.474 nan 8.270 nan 0.000 0.410 234 A N 5.067 127.953 122.820 0.110 0.000 2.401 234 A HA 0.174 4.494 4.320 -0.001 0.000 0.259 234 A C -0.271 177.277 177.584 -0.060 0.000 1.103 234 A CA -0.409 51.651 52.037 0.039 0.000 0.789 234 A CB 0.392 19.455 19.000 0.104 0.000 1.035 234 A HN 0.875 nan 8.150 nan 0.000 0.491 235 E N 0.759 120.874 120.200 -0.141 0.000 2.283 235 E HA 0.457 4.806 4.350 -0.001 0.000 0.267 235 E C -1.294 175.230 176.600 -0.127 0.000 1.045 235 E CA -0.626 55.706 56.400 -0.113 0.000 0.884 235 E CB 1.033 30.667 29.700 -0.110 0.000 1.106 235 E HN 0.472 nan 8.360 nan 0.000 0.408 236 L N 1.110 122.278 121.223 -0.090 0.000 2.637 236 L HA 0.299 4.638 4.340 -0.001 0.000 0.241 236 L C -0.573 176.250 176.870 -0.079 0.000 1.398 236 L CA -0.105 54.683 54.840 -0.086 0.000 0.895 236 L CB -0.235 41.785 42.059 -0.065 0.000 1.183 236 L HN 0.286 nan 8.230 nan 0.000 0.497 237 L N 2.855 124.028 121.223 -0.085 0.000 2.477 237 L HA 0.406 4.746 4.340 -0.001 0.000 0.272 237 L C -0.048 176.777 176.870 -0.074 0.000 1.157 237 L CA 0.432 55.228 54.840 -0.073 0.000 0.889 237 L CB 0.650 42.666 42.059 -0.071 0.000 1.158 237 L HN 0.546 nan 8.230 nan 0.000 0.473 238 I N 5.645 126.174 120.570 -0.069 0.000 2.710 238 I HA 0.351 4.521 4.170 -0.001 0.000 0.290 238 I C -2.133 173.945 176.117 -0.064 0.000 1.318 238 I CA -1.500 59.755 61.300 -0.075 0.000 1.045 238 I CB 2.532 40.479 38.000 -0.089 0.000 1.307 238 I HN 0.494 nan 8.210 nan 0.000 0.424 239 P HA 0.227 nan 4.420 nan 0.000 0.266 239 P C -0.444 176.815 177.300 -0.069 0.000 1.195 239 P CA -0.248 62.810 63.100 -0.071 0.000 0.768 239 P CB 0.986 32.649 31.700 -0.062 0.000 0.838 240 A N 5.247 128.021 122.820 -0.078 0.000 2.407 240 A HA 0.353 4.672 4.320 -0.001 0.000 0.248 240 A C -1.750 175.797 177.584 -0.063 0.000 1.082 240 A CA -1.224 50.770 52.037 -0.072 0.000 0.785 240 A CB -0.545 18.407 19.000 -0.080 0.000 1.020 240 A HN 0.500 nan 8.150 nan 0.000 0.489 241 P HA 0.218 nan 4.420 nan 0.000 0.237 241 P C -1.188 176.086 177.300 -0.043 0.000 1.788 241 P CA 0.261 63.334 63.100 -0.044 0.000 1.061 241 P CB -0.240 31.438 31.700 -0.037 0.000 1.967 242 L N 2.759 123.951 121.223 -0.051 0.000 2.386 242 L HA 0.328 4.668 4.340 -0.001 0.000 0.271 242 L C 0.671 177.510 176.870 -0.052 0.000 0.993 242 L CA -0.770 54.039 54.840 -0.053 0.000 0.819 242 L CB 1.937 43.954 42.059 -0.070 0.000 1.294 242 L HN 0.252 nan 8.230 nan 0.000 0.414 243 D N 3.363 123.736 120.400 -0.045 0.000 2.478 243 D HA -0.023 4.617 4.640 -0.001 0.000 0.234 243 D C -1.758 174.512 176.300 -0.051 0.000 1.154 243 D CA -0.911 53.064 54.000 -0.042 0.000 0.874 243 D CB 0.796 41.575 40.800 -0.036 0.000 1.198 243 D HN 0.352 nan 8.370 nan 0.000 0.455 244 P HA -0.203 nan 4.420 nan 0.000 0.218 244 P C 1.461 178.727 177.300 -0.057 0.000 1.146 244 P CA 1.528 64.596 63.100 -0.052 0.000 0.813 244 P CB -0.067 31.607 31.700 -0.043 0.000 0.778 245 G N 0.968 109.738 108.800 -0.051 0.000 2.511 245 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 245 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 245 G C 1.712 176.571 174.900 -0.068 0.000 1.218 245 G CA 2.435 47.504 45.100 -0.052 0.000 0.788 245 G HN 0.396 nan 8.290 nan 0.000 0.560 246 T N -1.383 113.127 114.554 -0.073 0.000 2.833 246 T HA -0.154 4.195 4.350 -0.001 0.000 0.269 246 T C 2.233 176.854 174.700 -0.132 0.000 1.054 246 T CA 1.792 63.835 62.100 -0.096 0.000 1.135 246 T CB -0.339 68.478 68.868 -0.085 0.000 0.869 246 T HN 0.407 nan 8.240 nan 0.000 0.466 247 Q N 0.970 120.697 119.800 -0.120 0.000 2.084 247 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 247 Q C 2.382 178.290 176.000 -0.153 0.000 0.978 247 Q CA 1.692 57.409 55.803 -0.144 0.000 0.844 247 Q CB -0.102 28.567 28.738 -0.114 0.000 0.898 247 Q HN 0.733 nan 8.270 nan 0.000 0.426 248 E N -0.729 119.402 120.200 -0.115 0.000 2.031 248 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 248 E C 2.036 178.569 176.600 -0.113 0.000 0.994 248 E CA 1.665 58.005 56.400 -0.100 0.000 0.800 248 E CB -0.065 29.593 29.700 -0.069 0.000 0.752 248 E HN 0.356 nan 8.360 nan 0.000 0.447 249 T N 1.194 115.680 114.554 -0.113 0.000 2.653 249 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 249 T C 2.117 176.708 174.700 -0.182 0.000 1.035 249 T CA 1.456 63.489 62.100 -0.112 0.000 1.154 249 T CB -0.415 68.390 68.868 -0.104 0.000 0.862 249 T HN -0.023 nan 8.240 nan 0.000 0.441 250 V N 1.369 121.101 119.914 -0.302 0.000 2.332 250 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 250 V C 2.652 178.463 176.094 -0.471 0.000 1.055 250 V CA 1.763 63.696 62.300 -0.611 0.000 1.038 250 V CB -0.686 30.722 31.823 -0.691 0.000 0.651 250 V HN 0.520 nan 8.190 nan 0.000 0.450 251 Q N -0.154 119.488 119.800 -0.263 0.000 2.079 251 Q HA -0.229 4.111 4.340 -0.001 0.000 0.200 251 Q C 2.370 178.332 176.000 -0.063 0.000 0.974 251 Q CA 1.834 57.547 55.803 -0.149 0.000 0.840 251 Q CB -0.181 28.483 28.738 -0.123 0.000 0.898 251 Q HN 0.888 nan 8.270 nan 0.000 0.430 252 E N 0.563 120.731 120.200 -0.053 0.000 2.150 252 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 252 E C 1.964 178.589 176.600 0.042 0.000 0.985 252 E CA 0.671 57.071 56.400 -0.001 0.000 0.814 252 E CB -0.280 29.418 29.700 -0.005 0.000 0.752 252 E HN 0.318 nan 8.360 nan 0.000 0.466 253 L N 0.817 122.068 121.223 0.045 0.000 2.046 253 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 253 L C 2.776 179.791 176.870 0.242 0.000 1.077 253 L CA 1.200 56.130 54.840 0.151 0.000 0.747 253 L CB -0.479 41.716 42.059 0.226 0.000 0.896 253 L HN 0.305 nan 8.230 nan 0.000 0.432 254 A N -0.337 122.660 122.820 0.296 0.000 1.877 254 A HA -0.206 4.114 4.320 -0.001 0.000 0.216 254 A C 2.050 179.744 177.584 0.183 0.000 1.186 254 A CA 1.326 53.546 52.037 0.305 0.000 0.620 254 A CB -0.615 18.557 19.000 0.287 0.000 0.822 254 A HN 0.269 nan 8.150 nan 0.000 0.443 255 L N 0.074 121.363 121.223 0.110 0.000 2.079 255 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 255 L C 2.372 179.323 176.870 0.135 0.000 1.081 255 L CA 2.235 57.129 54.840 0.090 0.000 0.752 255 L CB -0.839 41.252 42.059 0.054 0.000 0.896 255 L HN 0.543 nan 8.230 nan 0.000 0.433 256 K N -0.647 119.823 120.400 0.117 0.000 2.062 256 K HA -0.107 4.212 4.320 -0.001 0.000 0.205 256 K C 2.030 178.683 176.600 0.089 0.000 1.051 256 K CA 1.206 57.551 56.287 0.097 0.000 0.941 256 K CB 0.024 32.575 32.500 0.085 0.000 0.719 256 K HN 0.237 nan 8.250 nan 0.000 0.440 257 A N 0.173 123.056 122.820 0.104 0.000 1.969 257 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 257 A C 1.990 179.615 177.584 0.069 0.000 1.169 257 A CA 1.076 53.151 52.037 0.064 0.000 0.635 257 A CB -0.765 18.260 19.000 0.042 0.000 0.810 257 A HN 0.543 nan 8.150 nan 0.000 0.445 258 Y N 0.433 120.725 120.300 -0.014 0.000 2.224 258 Y HA -0.179 4.370 4.550 -0.001 0.000 0.289 258 Y C 2.416 178.265 175.900 -0.086 0.000 1.146 258 Y CA 2.238 60.320 58.100 -0.030 0.000 1.182 258 Y CB -0.059 38.404 38.460 0.004 0.000 0.983 258 Y HN 0.311 nan 8.280 nan 0.000 0.524 259 K N -0.096 120.343 120.400 0.064 0.000 1.984 259 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 259 K C 2.119 178.642 176.600 -0.129 0.000 1.046 259 K CA 1.884 58.106 56.287 -0.110 0.000 0.934 259 K CB -0.632 31.814 32.500 -0.090 0.000 0.717 259 K HN 0.311 nan 8.250 nan 0.000 0.438 260 V N 0.069 119.946 119.914 -0.062 0.000 2.568 260 V HA -0.152 3.968 4.120 -0.001 0.000 0.253 260 V C 1.820 177.866 176.094 -0.080 0.000 1.072 260 V CA 1.505 63.771 62.300 -0.056 0.000 1.084 260 V CB -0.494 31.317 31.823 -0.020 0.000 0.676 260 V HN 0.262 nan 8.190 nan 0.000 0.469 261 L N 1.157 122.316 121.223 -0.108 0.000 2.591 261 L HA 0.403 4.742 4.340 -0.001 0.000 0.228 261 L C 1.816 178.582 176.870 -0.173 0.000 1.133 261 L CA 0.631 55.394 54.840 -0.129 0.000 0.880 261 L CB -0.742 41.234 42.059 -0.137 0.000 1.033 261 L HN 0.638 nan 8.230 nan 0.000 0.450 262 G N 1.080 109.756 108.800 -0.207 0.000 2.323 262 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.292 262 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.292 262 G C 0.184 174.910 174.900 -0.290 0.000 1.040 262 G CA 0.201 45.166 45.100 -0.225 0.000 0.942 262 G HN 0.127 nan 8.290 nan 0.000 0.506 263 V N -0.468 119.149 119.914 -0.496 0.000 2.811 263 V HA 0.495 4.615 4.120 -0.001 0.000 0.302 263 V C 1.058 176.852 176.094 -0.500 0.000 1.063 263 V CA 0.101 62.019 62.300 -0.636 0.000 1.088 263 V CB 1.208 32.322 31.823 -1.182 0.000 0.982 263 V HN 0.525 nan 8.190 nan 0.000 0.485 264 R N 1.196 121.543 120.500 -0.255 0.000 2.750 264 R HA 0.624 4.964 4.340 -0.001 0.000 0.281 264 R C 0.969 177.280 176.300 0.017 0.000 0.972 264 R CA 0.142 56.192 56.100 -0.082 0.000 0.912 264 R CB 1.813 32.045 30.300 -0.114 0.000 1.187 264 R HN 0.978 nan 8.270 nan 0.000 0.464 265 G N 2.235 111.084 108.800 0.081 0.000 5.452 265 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.310 265 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.310 265 G C 0.009 175.017 174.900 0.180 0.000 1.392 265 G CA 0.857 45.995 45.100 0.063 0.000 0.942 265 G HN 0.616 nan 8.290 nan 0.000 0.776 266 M N -1.431 118.295 119.600 0.210 0.000 2.721 266 M HA 0.813 5.292 4.480 -0.001 0.000 0.271 266 M C -1.029 175.455 176.300 0.306 0.000 1.259 266 M CA -0.406 55.056 55.300 0.269 0.000 0.835 266 M CB 2.081 34.710 32.600 0.049 0.000 1.689 266 M HN 2.243 nan 8.290 nan 0.000 0.470 267 A N 1.386 124.407 122.820 0.334 0.000 2.565 267 A HA 0.685 5.004 4.320 -0.001 0.000 0.298 267 A C -1.743 176.013 177.584 0.287 0.000 1.062 267 A CA -0.725 51.483 52.037 0.284 0.000 0.723 267 A CB 1.785 21.061 19.000 0.460 0.000 1.282 267 A HN 0.762 nan 8.150 nan 0.000 0.400 268 R N 2.190 122.789 120.500 0.166 0.000 2.215 268 R HA 0.482 4.821 4.340 -0.001 0.000 0.337 268 R C -1.102 175.260 176.300 0.102 0.000 1.010 268 R CA -0.178 56.039 56.100 0.194 0.000 0.871 268 R CB 0.792 31.165 30.300 0.121 0.000 1.134 268 R HN 0.548 nan 8.270 nan 0.000 0.477 269 V N 5.023 125.010 119.914 0.121 0.000 2.364 269 V HA 0.162 4.282 4.120 -0.001 0.000 0.272 269 V C -0.029 176.088 176.094 0.038 0.000 1.036 269 V CA -0.682 61.650 62.300 0.053 0.000 0.880 269 V CB 1.412 33.324 31.823 0.149 0.000 0.991 269 V HN 0.534 nan 8.190 nan 0.000 0.460 270 D N 4.415 124.725 120.400 -0.150 0.000 2.177 270 D HA 0.599 5.239 4.640 -0.001 0.000 0.247 270 D C -0.617 175.446 176.300 -0.395 0.000 1.063 270 D CA 0.070 53.962 54.000 -0.179 0.000 0.867 270 D CB 1.643 42.286 40.800 -0.262 0.000 1.168 270 D HN 0.272 nan 8.370 nan 0.000 0.445 271 F N 0.798 120.601 119.950 -0.246 0.000 2.577 271 F HA 0.481 5.007 4.527 -0.001 0.000 0.318 271 F C -0.319 175.370 175.800 -0.184 0.000 1.065 271 F CA -0.978 56.899 58.000 -0.204 0.000 0.929 271 F CB 1.295 40.249 39.000 -0.077 0.000 1.237 271 F HN 0.089 nan 8.300 nan 0.000 0.468 272 F N 2.796 122.902 119.950 0.259 0.000 2.458 272 F HA 0.559 5.086 4.527 -0.001 0.000 0.336 272 F C -0.585 175.371 175.800 0.259 0.000 1.114 272 F CA -1.159 56.972 58.000 0.218 0.000 0.987 272 F CB 1.678 40.796 39.000 0.196 0.000 1.130 272 F HN 0.087 nan 8.300 nan 0.000 0.458 273 L N 4.055 125.506 121.223 0.379 0.000 2.324 273 L HA 0.824 5.163 4.340 -0.001 0.000 0.274 273 L C -0.920 176.069 176.870 0.199 0.000 1.012 273 L CA -0.643 54.330 54.840 0.221 0.000 0.859 273 L CB 0.481 42.612 42.059 0.120 0.000 1.224 273 L HN 0.602 nan 8.230 nan 0.000 0.429 274 A N 3.434 126.392 122.820 0.230 0.000 2.353 274 A HA 0.711 5.030 4.320 -0.001 0.000 0.299 274 A C 0.192 177.864 177.584 0.146 0.000 1.089 274 A CA -0.379 51.770 52.037 0.186 0.000 0.736 274 A CB 0.824 19.951 19.000 0.212 0.000 1.195 274 A HN 0.647 nan 8.150 nan 0.000 0.447 275 E N 1.002 121.256 120.200 0.089 0.000 2.360 275 E HA -0.196 4.154 4.350 -0.001 0.000 0.238 275 E C 1.190 177.815 176.600 0.041 0.000 1.186 275 E CA 2.334 58.772 56.400 0.063 0.000 0.719 275 E CB -1.480 28.264 29.700 0.074 0.000 1.236 275 E HN 2.440 nan 8.360 nan 0.000 0.386 276 G N -1.282 107.534 108.800 0.027 0.000 2.212 276 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.266 276 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.266 276 G C 0.051 174.928 174.900 -0.038 0.000 0.978 276 G CA 0.563 45.662 45.100 -0.003 0.000 0.632 276 G HN 0.287 nan 8.290 nan 0.000 0.537 277 E N 0.010 120.175 120.200 -0.058 0.000 2.231 277 E HA 0.671 5.021 4.350 -0.001 0.000 0.277 277 E C 0.482 176.864 176.600 -0.363 0.000 0.999 277 E CA -0.595 55.672 56.400 -0.221 0.000 0.827 277 E CB 1.486 31.021 29.700 -0.276 0.000 1.101 277 E HN 0.370 nan 8.360 nan 0.000 0.393 278 L N 2.641 123.623 121.223 -0.402 0.000 2.343 278 L HA 0.424 4.763 4.340 -0.001 0.000 0.275 278 L C -0.849 175.762 176.870 -0.433 0.000 1.056 278 L CA -0.724 53.972 54.840 -0.239 0.000 0.804 278 L CB 0.605 42.638 42.059 -0.043 0.000 1.203 278 L HN 0.442 nan 8.230 nan 0.000 0.440 279 Y N 2.071 122.525 120.300 0.257 0.000 2.441 279 Y HA 0.362 4.911 4.550 -0.001 0.000 0.334 279 Y C -0.459 175.448 175.900 0.013 0.000 1.061 279 Y CA -0.610 57.588 58.100 0.163 0.000 1.032 279 Y CB 1.816 40.394 38.460 0.196 0.000 1.266 279 Y HN 0.336 nan 8.280 nan 0.000 0.441 280 L N 3.957 125.133 121.223 -0.077 0.000 2.281 280 L HA 0.334 4.674 4.340 -0.001 0.000 0.285 280 L C 0.799 177.416 176.870 -0.420 0.000 1.074 280 L CA 0.204 54.654 54.840 -0.650 0.000 0.817 280 L CB 0.619 42.301 42.059 -0.628 0.000 1.168 280 L HN 0.938 nan 8.230 nan 0.000 0.434 281 N N 3.363 121.716 118.700 -0.578 0.000 2.132 281 N HA -0.040 4.699 4.740 -0.001 0.000 0.187 281 N C -0.317 174.970 175.510 -0.372 0.000 1.038 281 N CA 0.752 53.493 53.050 -0.516 0.000 0.846 281 N CB 0.426 38.319 38.487 -0.990 0.000 1.012 281 N HN 0.817 nan 8.380 nan 0.000 0.429 282 E N -0.432 119.540 120.200 -0.380 0.000 2.396 282 E HA 0.276 4.625 4.350 -0.001 0.000 0.280 282 E C -1.932 174.541 176.600 -0.212 0.000 1.065 282 E CA -0.765 55.479 56.400 -0.260 0.000 0.831 282 E CB 0.906 30.487 29.700 -0.199 0.000 1.272 282 E HN -0.036 nan 8.360 nan 0.000 0.443 283 L N 1.970 123.108 121.223 -0.142 0.000 2.296 283 L HA 0.424 4.763 4.340 -0.001 0.000 0.286 283 L C -0.520 176.323 176.870 -0.045 0.000 1.023 283 L CA -0.562 54.236 54.840 -0.069 0.000 0.812 283 L CB 1.362 43.396 42.059 -0.042 0.000 1.223 283 L HN 0.440 nan 8.230 nan 0.000 0.421 284 N N 1.364 120.056 118.700 -0.012 0.000 2.485 284 N HA 0.157 4.897 4.740 -0.001 0.000 0.243 284 N C 0.942 176.465 175.510 0.023 0.000 0.987 284 N CA -0.012 53.035 53.050 -0.005 0.000 0.940 284 N CB 1.851 40.330 38.487 -0.013 0.000 1.122 284 N HN 0.722 nan 8.380 nan 0.000 0.509 285 T N -0.857 113.711 114.554 0.022 0.000 2.962 285 T HA 0.059 4.408 4.350 -0.001 0.000 0.270 285 T C 0.962 175.697 174.700 0.058 0.000 1.088 285 T CA 0.903 63.023 62.100 0.034 0.000 1.127 285 T CB 0.126 69.004 68.868 0.017 0.000 0.883 285 T HN 0.428 nan 8.240 nan 0.000 0.493 286 I N 3.208 123.833 120.570 0.092 0.000 2.623 286 I HA 0.337 4.506 4.170 -0.001 0.000 0.275 286 I C -2.572 173.666 176.117 0.202 0.000 1.108 286 I CA -2.447 58.956 61.300 0.172 0.000 1.120 286 I CB 1.986 40.112 38.000 0.209 0.000 1.249 286 I HN 0.038 nan 8.210 nan 0.000 0.500 287 P HA 0.161 nan 4.420 nan 0.000 0.277 287 P C 0.295 177.652 177.300 0.096 0.000 1.271 287 P CA -0.115 62.983 63.100 -0.002 0.000 0.795 287 P CB 0.794 32.401 31.700 -0.156 0.000 1.101 288 G N -0.456 108.348 108.800 0.008 0.000 2.398 288 G HA2 0.169 4.128 3.960 -0.001 0.000 0.246 288 G HA3 0.169 4.128 3.960 -0.001 0.000 0.246 288 G C -0.649 174.277 174.900 0.043 0.000 1.289 288 G CA -0.217 44.930 45.100 0.077 0.000 0.869 288 G HN 0.360 nan 8.290 nan 0.000 0.543 289 F N 1.320 121.380 119.950 0.184 0.000 2.791 289 F HA 0.219 4.746 4.527 -0.000 0.000 0.308 289 F C 1.694 177.623 175.800 0.216 0.000 1.138 289 F CA -0.462 57.678 58.000 0.235 0.000 1.294 289 F CB 0.390 39.518 39.000 0.214 0.000 0.975 289 F HN 0.544 nan 8.300 nan 0.000 0.512 290 T N -1.485 113.200 114.554 0.218 0.000 2.860 290 T HA 0.132 4.482 4.350 -0.001 0.000 0.299 290 T C -1.230 173.448 174.700 -0.037 0.000 1.045 290 T CA -1.465 60.687 62.100 0.085 0.000 1.071 290 T CB 1.265 70.149 68.868 0.027 0.000 0.985 290 T HN 0.010 nan 8.240 nan 0.000 0.537 291 P HA -0.023 nan 4.420 nan 0.000 0.228 291 P C 0.895 178.054 177.300 -0.235 0.000 1.151 291 P CA 0.917 63.649 63.100 -0.613 0.000 0.770 291 P CB -0.253 30.962 31.700 -0.808 0.000 0.786 292 T N -4.803 109.675 114.554 -0.126 0.000 3.248 292 T HA 0.312 4.662 4.350 -0.001 0.000 0.271 292 T C 0.548 175.230 174.700 -0.029 0.000 1.005 292 T CA -0.432 61.629 62.100 -0.065 0.000 0.902 292 T CB -0.430 68.407 68.868 -0.053 0.000 1.102 292 T HN -0.185 nan 8.240 nan 0.000 0.548 293 S N 0.927 116.619 115.700 -0.013 0.000 2.672 293 S HA 0.474 4.943 4.470 -0.001 0.000 0.276 293 S C 1.325 175.920 174.600 -0.007 0.000 1.207 293 S CA -0.780 57.419 58.200 -0.002 0.000 1.002 293 S CB 1.239 64.444 63.200 0.009 0.000 0.998 293 S HN 0.462 nan 8.310 nan 0.000 0.542 294 M N 1.248 120.844 119.600 -0.006 0.000 2.082 294 M HA -0.195 4.284 4.480 -0.001 0.000 0.258 294 M C 1.641 177.938 176.300 -0.006 0.000 1.069 294 M CA 1.901 57.194 55.300 -0.012 0.000 1.102 294 M CB -0.287 32.310 32.600 -0.005 0.000 1.336 294 M HN 0.904 nan 8.290 nan 0.000 0.404 295 Y N 1.033 121.262 120.300 -0.118 0.000 2.109 295 Y HA -0.132 4.417 4.550 -0.001 0.000 0.285 295 Y C -0.847 175.035 175.900 -0.029 0.000 1.131 295 Y CA 2.129 60.164 58.100 -0.109 0.000 1.121 295 Y CB -1.437 36.892 38.460 -0.218 0.000 0.987 295 Y HN 0.199 nan 8.280 nan 0.000 0.495 296 P HA -0.171 nan 4.420 nan 0.000 0.217 296 P C 1.019 178.365 177.300 0.075 0.000 1.150 296 P CA 1.868 65.059 63.100 0.152 0.000 0.832 296 P CB -0.126 31.777 31.700 0.339 0.000 0.787 297 R N -1.127 119.377 120.500 0.008 0.000 2.115 297 R HA -0.052 4.288 4.340 -0.001 0.000 0.230 297 R C 2.390 178.645 176.300 -0.075 0.000 1.111 297 R CA 0.732 56.818 56.100 -0.024 0.000 0.976 297 R CB -0.810 29.468 30.300 -0.037 0.000 0.870 297 R HN 0.129 nan 8.270 nan 0.000 0.445 298 L N -0.566 120.565 121.223 -0.154 0.000 1.994 298 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 298 L C 1.917 178.591 176.870 -0.327 0.000 1.071 298 L CA 1.732 56.406 54.840 -0.277 0.000 0.745 298 L CB -0.761 41.055 42.059 -0.405 0.000 0.892 298 L HN 0.050 nan 8.230 nan 0.000 0.431 299 F N 0.237 120.033 119.950 -0.256 0.000 2.234 299 F HA -0.140 4.387 4.527 -0.001 0.000 0.299 299 F C 2.456 178.201 175.800 -0.091 0.000 1.087 299 F CA 0.953 58.836 58.000 -0.194 0.000 1.340 299 F CB -0.380 38.474 39.000 -0.243 0.000 1.031 299 F HN 0.226 nan 8.300 nan 0.000 0.500 300 E N -0.128 120.137 120.200 0.109 0.000 2.085 300 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 300 E C 2.366 178.987 176.600 0.034 0.000 0.994 300 E CA 1.175 57.624 56.400 0.081 0.000 0.801 300 E CB -0.337 29.400 29.700 0.062 0.000 0.743 300 E HN 0.376 nan 8.360 nan 0.000 0.453 301 A N 0.772 123.582 122.820 -0.015 0.000 2.015 301 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 301 A C 2.310 179.870 177.584 -0.040 0.000 1.163 301 A CA 1.414 53.427 52.037 -0.042 0.000 0.646 301 A CB -0.625 18.326 19.000 -0.081 0.000 0.806 301 A HN 0.347 nan 8.150 nan 0.000 0.448 302 G N -1.855 106.924 108.800 -0.036 0.000 2.744 302 G HA2 0.346 4.306 3.960 -0.001 0.000 0.211 302 G HA3 0.346 4.306 3.960 -0.001 0.000 0.211 302 G C 1.042 175.975 174.900 0.054 0.000 1.143 302 G CA 0.595 45.691 45.100 -0.008 0.000 0.788 302 G HN 1.653 nan 8.290 nan 0.000 0.534 303 G N -1.623 107.213 108.800 0.061 0.000 2.143 303 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.175 303 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.175 303 G C -0.197 174.746 174.900 0.072 0.000 1.004 303 G CA -0.097 45.037 45.100 0.056 0.000 0.671 303 G HN 0.779 nan 8.290 nan 0.000 0.512 304 V N 1.084 121.061 119.914 0.105 0.000 2.376 304 V HA 0.790 4.910 4.120 -0.001 0.000 0.287 304 V C 0.858 177.011 176.094 0.098 0.000 1.015 304 V CA -0.500 61.850 62.300 0.083 0.000 0.834 304 V CB 1.087 32.944 31.823 0.057 0.000 1.001 304 V HN 1.121 nan 8.190 nan 0.000 0.428 305 A N 3.365 126.234 122.820 0.082 0.000 2.448 305 A HA 0.293 4.613 4.320 -0.001 0.000 0.239 305 A C 0.852 178.530 177.584 0.158 0.000 1.080 305 A CA 0.175 52.281 52.037 0.115 0.000 0.779 305 A CB -0.002 19.054 19.000 0.095 0.000 1.026 305 A HN 0.885 nan 8.150 nan 0.000 0.499 306 Y N 2.326 122.662 120.300 0.060 0.000 2.081 306 Y HA -0.156 4.393 4.550 -0.001 0.000 0.280 306 Y C -0.767 175.192 175.900 0.098 0.000 1.163 306 Y CA 2.924 61.073 58.100 0.082 0.000 1.135 306 Y CB -1.382 37.071 38.460 -0.013 0.000 0.970 306 Y HN 0.534 nan 8.280 nan 0.000 0.498 307 P HA -0.199 nan 4.420 nan 0.000 0.214 307 P C 1.440 178.708 177.300 -0.054 0.000 1.163 307 P CA 2.392 65.503 63.100 0.017 0.000 0.889 307 P CB -0.046 31.705 31.700 0.085 0.000 0.790 308 E N -0.504 119.686 120.200 -0.016 0.000 2.110 308 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 308 E C 1.796 178.369 176.600 -0.044 0.000 0.988 308 E CA 0.864 57.244 56.400 -0.033 0.000 0.804 308 E CB -1.221 28.474 29.700 -0.009 0.000 0.745 308 E HN 0.007 nan 8.360 nan 0.000 0.458 309 L N 0.027 121.228 121.223 -0.036 0.000 2.017 309 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 309 L C 2.134 178.992 176.870 -0.020 0.000 1.073 309 L CA 1.705 56.526 54.840 -0.031 0.000 0.745 309 L CB -0.509 41.588 42.059 0.062 0.000 0.894 309 L HN 0.263 nan 8.230 nan 0.000 0.432 310 L N -0.761 120.411 121.223 -0.085 0.000 2.083 310 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 310 L C 2.813 179.705 176.870 0.037 0.000 1.083 310 L CA 1.474 56.281 54.840 -0.055 0.000 0.752 310 L CB -0.597 41.369 42.059 -0.155 0.000 0.899 310 L HN 0.316 nan 8.230 nan 0.000 0.433 311 R N 0.474 120.964 120.500 -0.017 0.000 2.081 311 R HA -0.147 4.193 4.340 -0.001 0.000 0.235 311 R C 2.473 178.844 176.300 0.117 0.000 1.131 311 R CA 1.371 57.490 56.100 0.031 0.000 0.960 311 R CB -0.042 30.179 30.300 -0.131 0.000 0.856 311 R HN 0.305 nan 8.270 nan 0.000 0.436 312 R N 0.203 120.719 120.500 0.027 0.000 2.075 312 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 312 R C 2.461 178.759 176.300 -0.003 0.000 1.126 312 R CA 1.280 57.385 56.100 0.007 0.000 0.963 312 R CB -0.375 29.898 30.300 -0.044 0.000 0.858 312 R HN 0.252 nan 8.270 nan 0.000 0.435 313 L N 0.313 121.523 121.223 -0.022 0.000 1.994 313 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 313 L C 2.428 179.226 176.870 -0.119 0.000 1.071 313 L CA 1.216 56.000 54.840 -0.094 0.000 0.745 313 L CB -0.491 41.466 42.059 -0.170 0.000 0.892 313 L HN 0.033 nan 8.230 nan 0.000 0.431 314 V N -0.606 119.289 119.914 -0.031 0.000 2.332 314 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 314 V C 2.537 178.605 176.094 -0.043 0.000 1.055 314 V CA 1.624 63.912 62.300 -0.020 0.000 1.038 314 V CB -0.535 31.381 31.823 0.155 0.000 0.651 314 V HN 0.426 nan 8.190 nan 0.000 0.450 315 E N 0.034 120.255 120.200 0.034 0.000 2.077 315 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 315 E C 2.219 178.800 176.600 -0.031 0.000 0.989 315 E CA 1.038 57.444 56.400 0.010 0.000 0.800 315 E CB -0.331 29.408 29.700 0.065 0.000 0.746 315 E HN 0.521 nan 8.360 nan 0.000 0.452 316 L N 0.407 121.608 121.223 -0.038 0.000 2.187 316 L HA -0.147 4.192 4.340 -0.001 0.000 0.213 316 L C 2.191 179.007 176.870 -0.090 0.000 1.100 316 L CA 0.882 55.691 54.840 -0.051 0.000 0.765 316 L CB -0.371 41.662 42.059 -0.044 0.000 0.904 316 L HN 0.035 nan 8.230 nan 0.000 0.437 317 A N -0.763 121.984 122.820 -0.122 0.000 2.248 317 A HA -0.003 4.317 4.320 -0.001 0.000 0.210 317 A C 1.910 179.409 177.584 -0.142 0.000 1.174 317 A CA 0.922 52.858 52.037 -0.168 0.000 0.750 317 A CB -0.263 18.635 19.000 -0.170 0.000 0.780 317 A HN 0.468 nan 8.150 nan 0.000 0.478 318 L N -1.051 120.112 121.223 -0.099 0.000 2.781 318 L HA 0.129 4.468 4.340 -0.001 0.000 0.245 318 L C 1.262 178.096 176.870 -0.059 0.000 1.118 318 L CA 0.556 55.350 54.840 -0.078 0.000 0.918 318 L CB 0.442 42.461 42.059 -0.066 0.000 1.246 318 L HN 0.432 nan 8.230 nan 0.000 0.526 319 T N 0.000 114.523 114.554 -0.052 0.000 3.816 319 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 319 T CA 0.000 62.082 62.100 -0.031 0.000 1.349 319 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658