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 1n9w_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLVRDLKA HVGQEVELLG FLHWRRDLGR IQFLLLRDRS GVVQVVTGGL DATA SEQUENCE KLPLPESALR VRGLVVENAK APGGLEVQAK EVEVLSPALE PTPVEIPXXX DATA SEQUENCE XXXXXXXXXX YRYVTLRGEK ARAPLKVQAA LVRGFRRYLD RQDFTEIFTP DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXQ LYKQIMVGVF ERVYEVAPVX DATA SEQUENCE XXXXXXXXXX XXEYLSLDVE MGFIADEEDL MRLEEALLAE MLEEALNTAG DATA SEQUENCE DEIRLLGATW PSFPQDIPRL THAEAKRILK EELGYPVGQD LSEEAERLLG DATA SEQUENCE EYAKERWGSD WLFVTRYPRS VRPFYTYPEE DGTTRSFDLL FRGLEITSGG DATA SEQUENCE QRIHRYEELL ESLKAKGMDP EAFHGYLEVF KYGMPPHGGF AIGAERLTQK DATA SEQUENCE LLGLPNVRYA RAFP 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 0.000 176.268 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 2.307 122.776 120.500 -0.051 0.000 2.347 2 R HA 0.639 4.979 4.340 -0.000 0.000 0.304 2 R C -1.738 174.505 176.300 -0.095 0.000 1.072 2 R CA -0.051 56.008 56.100 -0.069 0.000 0.980 2 R CB 0.903 31.172 30.300 -0.051 0.000 0.986 2 R HN 0.694 nan 8.270 nan 0.000 0.448 3 V N 6.484 126.314 119.914 -0.138 0.000 2.604 3 V HA 0.371 4.491 4.120 -0.000 0.000 0.305 3 V C 0.461 176.483 176.094 -0.121 0.000 1.043 3 V CA -0.857 61.331 62.300 -0.187 0.000 0.888 3 V CB 1.995 33.579 31.823 -0.397 0.000 0.995 3 V HN 0.657 nan 8.190 nan 0.000 0.429 4 L N 3.173 124.347 121.223 -0.081 0.000 2.418 4 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 4 L C 1.479 178.322 176.870 -0.046 0.000 1.143 4 L CA -0.139 54.672 54.840 -0.048 0.000 0.809 4 L CB 1.356 43.402 42.059 -0.021 0.000 1.124 4 L HN 0.480 nan 8.230 nan 0.000 0.456 5 V N 1.711 121.604 119.914 -0.036 0.000 2.380 5 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 5 V C 2.456 178.541 176.094 -0.014 0.000 1.063 5 V CA 2.433 64.715 62.300 -0.031 0.000 1.055 5 V CB -0.958 30.845 31.823 -0.033 0.000 0.657 5 V HN 0.923 nan 8.190 nan 0.000 0.455 6 R N 0.422 120.918 120.500 -0.006 0.000 2.189 6 R HA -0.101 4.239 4.340 -0.000 0.000 0.223 6 R C 1.197 177.510 176.300 0.021 0.000 1.092 6 R CA 1.772 57.875 56.100 0.005 0.000 0.989 6 R CB -0.441 29.862 30.300 0.006 0.000 0.876 6 R HN 0.438 nan 8.270 nan 0.000 0.457 7 D N 0.829 121.245 120.400 0.027 0.000 2.349 7 D HA 0.085 4.725 4.640 -0.000 0.000 0.214 7 D C 1.686 178.069 176.300 0.138 0.000 1.063 7 D CA 0.115 54.160 54.000 0.075 0.000 0.847 7 D CB 0.283 41.132 40.800 0.082 0.000 0.933 7 D HN 0.239 nan 8.370 nan 0.000 0.513 8 L N 0.426 121.689 121.223 0.066 0.000 2.187 8 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 8 L C 2.164 179.113 176.870 0.131 0.000 1.100 8 L CA 0.941 55.830 54.840 0.082 0.000 0.765 8 L CB -0.231 41.838 42.059 0.017 0.000 0.904 8 L HN -0.136 nan 8.230 nan 0.000 0.437 9 K N 0.590 121.042 120.400 0.087 0.000 2.113 9 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 9 K C 1.795 178.426 176.600 0.052 0.000 1.047 9 K CA 1.463 57.785 56.287 0.058 0.000 0.928 9 K CB -0.449 32.071 32.500 0.034 0.000 0.716 9 K HN 0.301 nan 8.250 nan 0.000 0.446 10 A N -0.130 122.732 122.820 0.070 0.000 2.302 10 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 10 A C 0.303 177.724 177.584 -0.270 0.000 1.243 10 A CA 0.374 52.367 52.037 -0.075 0.000 0.856 10 A CB -0.336 18.596 19.000 -0.112 0.000 0.893 10 A HN 0.331 nan 8.150 nan 0.000 0.491 11 H N -0.923 118.146 119.070 -0.002 0.000 2.885 11 H HA 0.172 4.728 4.556 -0.000 0.000 0.254 11 H C -0.404 174.923 175.328 -0.002 0.000 1.185 11 H CA -0.280 55.767 56.048 -0.003 0.000 1.029 11 H CB 0.485 30.244 29.762 -0.004 0.000 1.743 11 H HN 0.163 nan 8.280 nan 0.000 0.632 12 V N 1.165 121.121 119.914 0.071 0.000 2.557 12 V HA 0.086 4.206 4.120 -0.000 0.000 0.301 12 V C 1.505 177.619 176.094 0.033 0.000 1.026 12 V CA 1.662 63.990 62.300 0.047 0.000 1.137 12 V CB 0.584 32.423 31.823 0.027 0.000 0.917 12 V HN 0.851 nan 8.190 nan 0.000 0.484 13 G N 3.482 112.303 108.800 0.034 0.000 2.217 13 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.246 13 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.246 13 G C 0.101 175.019 174.900 0.029 0.000 0.990 13 G CA 0.302 45.416 45.100 0.024 0.000 0.627 13 G HN 0.665 nan 8.290 nan 0.000 0.522 14 Q N -0.283 119.546 119.800 0.049 0.000 2.240 14 Q HA 0.664 5.004 4.340 -0.000 0.000 0.260 14 Q C -0.582 175.448 176.000 0.049 0.000 1.018 14 Q CA -0.799 55.038 55.803 0.057 0.000 0.898 14 Q CB 1.348 30.143 28.738 0.095 0.000 1.301 14 Q HN 0.214 nan 8.270 nan 0.000 0.469 15 E N 0.798 121.021 120.200 0.038 0.000 2.174 15 E HA 0.359 4.709 4.350 -0.000 0.000 0.282 15 E C -1.307 175.298 176.600 0.009 0.000 0.992 15 E CA -0.445 55.964 56.400 0.016 0.000 0.803 15 E CB 1.178 30.883 29.700 0.008 0.000 1.090 15 E HN 0.408 nan 8.360 nan 0.000 0.396 16 V N 0.583 120.484 119.914 -0.021 0.000 3.126 16 V HA 0.647 4.767 4.120 -0.000 0.000 0.314 16 V C -0.654 175.401 176.094 -0.065 0.000 1.138 16 V CA -0.933 61.327 62.300 -0.066 0.000 1.034 16 V CB 1.955 33.696 31.823 -0.137 0.000 1.075 16 V HN 0.702 nan 8.190 nan 0.000 0.442 17 E N 0.904 121.055 120.200 -0.082 0.000 2.187 17 E HA 0.695 5.044 4.350 -0.000 0.000 0.268 17 E C -1.646 174.905 176.600 -0.082 0.000 0.896 17 E CA -0.747 55.611 56.400 -0.069 0.000 0.766 17 E CB 1.899 31.565 29.700 -0.057 0.000 1.142 17 E HN 0.766 nan 8.360 nan 0.000 0.408 18 L N 4.436 125.614 121.223 -0.076 0.000 2.333 18 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 18 L C -0.711 176.107 176.870 -0.086 0.000 1.010 18 L CA -0.958 53.833 54.840 -0.080 0.000 0.818 18 L CB 1.472 43.485 42.059 -0.076 0.000 1.306 18 L HN 0.444 nan 8.230 nan 0.000 0.430 19 L N 1.341 122.508 121.223 -0.093 0.000 2.410 19 L HA 0.914 5.254 4.340 -0.000 0.000 0.270 19 L C 0.034 176.816 176.870 -0.148 0.000 0.983 19 L CA -0.287 54.478 54.840 -0.125 0.000 0.822 19 L CB 1.966 43.959 42.059 -0.110 0.000 1.285 19 L HN 0.830 nan 8.230 nan 0.000 0.409 20 G N 1.457 110.111 108.800 -0.244 0.000 2.364 20 G HA2 0.484 4.444 3.960 -0.000 0.000 0.286 20 G HA3 0.484 4.444 3.960 -0.000 0.000 0.286 20 G C -2.121 172.493 174.900 -0.477 0.000 1.241 20 G CA -0.511 44.432 45.100 -0.260 0.000 0.887 20 G HN 0.175 nan 8.290 nan 0.000 0.484 21 F N -0.391 119.557 119.950 -0.003 0.000 2.532 21 F HA 0.607 5.134 4.527 -0.000 0.000 0.321 21 F C 0.118 175.920 175.800 0.004 0.000 1.089 21 F CA -0.832 57.174 58.000 0.009 0.000 0.926 21 F CB 2.141 41.158 39.000 0.029 0.000 1.168 21 F HN 0.342 nan 8.300 nan 0.000 0.459 22 L N 3.276 124.602 121.223 0.171 0.000 2.600 22 L HA 0.107 4.446 4.340 -0.000 0.000 0.278 22 L C 1.145 178.077 176.870 0.103 0.000 1.139 22 L CA 0.549 55.440 54.840 0.085 0.000 0.933 22 L CB -0.647 41.451 42.059 0.065 0.000 1.266 22 L HN 0.674 nan 8.230 nan 0.000 0.471 23 H N 6.029 125.062 119.070 -0.062 0.000 2.299 23 H HA 0.015 4.571 4.556 -0.000 0.000 0.302 23 H C -0.247 175.114 175.328 0.055 0.000 1.078 23 H CA 2.457 58.471 56.048 -0.057 0.000 1.323 23 H CB 0.296 29.945 29.762 -0.189 0.000 1.381 23 H HN 0.677 nan 8.280 nan 0.000 0.498 24 W N -0.876 120.497 121.300 0.122 0.000 2.959 24 W HA 0.421 5.081 4.660 -0.000 0.000 0.358 24 W C -1.425 175.145 176.519 0.084 0.000 1.228 24 W CA -1.086 56.293 57.345 0.057 0.000 1.183 24 W CB 1.061 30.546 29.460 0.043 0.000 1.467 24 W HN 0.071 nan 8.180 nan 0.000 0.578 25 R N 0.989 121.909 120.500 0.700 0.000 2.740 25 R HA 0.762 5.102 4.340 -0.000 0.000 0.273 25 R C -1.135 175.446 176.300 0.469 0.000 0.998 25 R CA -1.154 55.276 56.100 0.549 0.000 0.900 25 R CB 2.334 32.788 30.300 0.258 0.000 1.223 25 R HN 0.445 nan 8.270 nan 0.000 0.466 26 R N 1.684 122.439 120.500 0.424 0.000 2.507 26 R HA 0.198 4.538 4.340 -0.000 0.000 0.298 26 R C -1.482 174.968 176.300 0.250 0.000 1.087 26 R CA -0.813 55.446 56.100 0.264 0.000 0.917 26 R CB 1.688 32.148 30.300 0.267 0.000 1.173 26 R HN 0.696 nan 8.270 nan 0.000 0.472 27 D N 4.265 124.758 120.400 0.155 0.000 2.380 27 D HA 0.174 4.814 4.640 -0.000 0.000 0.230 27 D C 0.189 176.544 176.300 0.093 0.000 1.154 27 D CA -0.275 53.791 54.000 0.109 0.000 0.859 27 D CB 0.836 41.682 40.800 0.077 0.000 1.045 27 D HN 0.476 nan 8.370 nan 0.000 0.495 28 L N 3.519 124.798 121.223 0.093 0.000 3.062 28 L HA 0.321 4.661 4.340 -0.000 0.000 0.255 28 L C 1.629 178.524 176.870 0.042 0.000 1.274 28 L CA -0.358 54.530 54.840 0.080 0.000 1.047 28 L CB 0.154 42.289 42.059 0.127 0.000 1.402 28 L HN 0.643 nan 8.230 nan 0.000 0.550 29 G N 1.112 109.929 108.800 0.028 0.000 2.889 29 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.308 29 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.308 29 G C 1.140 176.037 174.900 -0.005 0.000 1.248 29 G CA 0.572 45.679 45.100 0.012 0.000 0.982 29 G HN 0.365 nan 8.290 nan 0.000 0.571 30 R N 1.097 121.593 120.500 -0.007 0.000 2.105 30 R HA -0.001 4.339 4.340 -0.000 0.000 0.239 30 R C 1.593 177.863 176.300 -0.050 0.000 1.135 30 R CA 1.708 57.795 56.100 -0.021 0.000 0.967 30 R CB -0.473 29.819 30.300 -0.012 0.000 0.861 30 R HN 0.759 nan 8.270 nan 0.000 0.442 31 I N -1.636 118.896 120.570 -0.064 0.000 2.509 31 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 31 I C -1.242 174.770 176.117 -0.176 0.000 1.020 31 I CA -0.975 60.227 61.300 -0.164 0.000 1.088 31 I CB 2.245 40.123 38.000 -0.203 0.000 1.267 31 I HN -0.151 nan 8.210 nan 0.000 0.430 32 Q N 4.557 124.196 119.800 -0.269 0.000 2.323 32 Q HA 0.550 4.890 4.340 -0.000 0.000 0.271 32 Q C -1.793 174.057 176.000 -0.251 0.000 1.048 32 Q CA -0.488 55.231 55.803 -0.139 0.000 0.792 32 Q CB 3.058 31.773 28.738 -0.038 0.000 1.280 32 Q HN 0.601 nan 8.270 nan 0.000 0.441 33 F N 2.297 122.330 119.950 0.139 0.000 2.427 33 F HA 0.526 5.053 4.527 -0.000 0.000 0.346 33 F C -0.337 175.588 175.800 0.208 0.000 1.120 33 F CA -0.537 57.576 58.000 0.187 0.000 1.033 33 F CB 0.922 40.098 39.000 0.293 0.000 1.126 33 F HN 0.223 nan 8.300 nan 0.000 0.462 34 L N 4.041 125.368 121.223 0.173 0.000 2.341 34 L HA 0.622 4.962 4.340 -0.000 0.000 0.267 34 L C -1.344 175.287 176.870 -0.398 0.000 1.009 34 L CA -1.188 53.614 54.840 -0.063 0.000 0.819 34 L CB 2.343 44.376 42.059 -0.044 0.000 1.323 34 L HN 0.402 nan 8.230 nan 0.000 0.425 35 L N 2.722 123.493 121.223 -0.753 0.000 2.343 35 L HA 0.550 4.890 4.340 -0.000 0.000 0.278 35 L C -0.981 175.650 176.870 -0.397 0.000 0.996 35 L CA -0.088 54.246 54.840 -0.843 0.000 0.831 35 L CB 1.594 42.607 42.059 -1.742 0.000 1.232 35 L HN 0.468 nan 8.230 nan 0.000 0.413 36 L N 5.759 126.841 121.223 -0.234 0.000 2.307 36 L HA 0.724 5.064 4.340 -0.000 0.000 0.284 36 L C -0.606 176.209 176.870 -0.091 0.000 1.023 36 L CA -0.532 54.239 54.840 -0.114 0.000 0.810 36 L CB 0.830 42.834 42.059 -0.091 0.000 1.231 36 L HN 0.804 nan 8.230 nan 0.000 0.423 37 R N 1.903 122.398 120.500 -0.008 0.000 2.621 37 R HA 0.647 4.987 4.340 -0.000 0.000 0.292 37 R C -1.506 174.844 176.300 0.083 0.000 0.969 37 R CA -0.780 55.316 56.100 -0.007 0.000 0.887 37 R CB 1.723 31.991 30.300 -0.053 0.000 1.180 37 R HN 0.616 nan 8.270 nan 0.000 0.450 38 D N 1.448 121.873 120.400 0.042 0.000 2.650 38 D HA 0.181 4.821 4.640 -0.000 0.000 0.255 38 D C 0.628 176.971 176.300 0.071 0.000 1.135 38 D CA -1.111 52.933 54.000 0.073 0.000 1.099 38 D CB 0.585 41.395 40.800 0.017 0.000 1.273 38 D HN 0.656 nan 8.370 nan 0.000 0.628 39 R N -0.612 119.931 120.500 0.072 0.000 2.293 39 R HA -0.063 4.277 4.340 -0.000 0.000 0.219 39 R C 0.945 177.263 176.300 0.030 0.000 1.091 39 R CA 1.514 57.648 56.100 0.057 0.000 1.004 39 R CB -0.622 29.713 30.300 0.058 0.000 0.865 39 R HN 0.378 nan 8.270 nan 0.000 0.469 40 S N -1.385 114.325 115.700 0.018 0.000 2.539 40 S HA 0.398 4.868 4.470 -0.000 0.000 0.221 40 S C 0.651 175.247 174.600 -0.007 0.000 0.987 40 S CA -0.060 58.144 58.200 0.006 0.000 0.929 40 S CB 0.996 64.198 63.200 0.003 0.000 0.832 40 S HN 0.659 nan 8.310 nan 0.000 0.492 41 G N 0.598 109.388 108.800 -0.017 0.000 2.339 41 G HA2 0.337 4.297 3.960 -0.000 0.000 0.275 41 G HA3 0.337 4.297 3.960 -0.000 0.000 0.275 41 G C -1.255 173.601 174.900 -0.074 0.000 1.323 41 G CA -0.274 44.800 45.100 -0.042 0.000 0.927 41 G HN 1.225 nan 8.290 nan 0.000 0.486 42 V N -2.655 117.198 119.914 -0.102 0.000 2.769 42 V HA 0.932 5.052 4.120 -0.000 0.000 0.312 42 V C -0.447 175.584 176.094 -0.106 0.000 1.061 42 V CA -0.848 61.364 62.300 -0.146 0.000 0.931 42 V CB 1.328 32.998 31.823 -0.255 0.000 1.010 42 V HN 1.921 nan 8.190 nan 0.000 0.433 43 V N 3.418 123.262 119.914 -0.116 0.000 2.841 43 V HA 0.515 4.635 4.120 -0.000 0.000 0.310 43 V C -0.394 175.636 176.094 -0.107 0.000 1.090 43 V CA -0.407 61.844 62.300 -0.082 0.000 0.930 43 V CB 1.988 33.777 31.823 -0.057 0.000 1.014 43 V HN 1.244 nan 8.190 nan 0.000 0.425 44 Q N 3.404 123.172 119.800 -0.054 0.000 2.314 44 Q HA 0.599 4.939 4.340 -0.000 0.000 0.258 44 Q C -1.482 174.519 176.000 0.002 0.000 0.954 44 Q CA -0.224 55.565 55.803 -0.024 0.000 0.890 44 Q CB 1.602 30.396 28.738 0.094 0.000 1.210 44 Q HN 0.670 nan 8.270 nan 0.000 0.410 45 V N 4.565 124.475 119.914 -0.007 0.000 2.540 45 V HA 0.408 4.528 4.120 -0.000 0.000 0.302 45 V C -0.699 175.395 176.094 0.001 0.000 1.035 45 V CA -0.767 61.525 62.300 -0.013 0.000 0.873 45 V CB 2.054 33.848 31.823 -0.049 0.000 0.992 45 V HN 0.613 nan 8.190 nan 0.000 0.428 46 V N 4.021 123.914 119.914 -0.036 0.000 2.417 46 V HA 0.724 4.844 4.120 -0.000 0.000 0.291 46 V C 0.163 176.174 176.094 -0.138 0.000 1.024 46 V CA 0.025 62.239 62.300 -0.144 0.000 0.861 46 V CB 1.578 33.312 31.823 -0.148 0.000 0.985 46 V HN 1.017 nan 8.190 nan 0.000 0.436 47 T N 2.592 117.043 114.554 -0.173 0.000 2.572 47 T HA 0.914 5.264 4.350 -0.000 0.000 0.274 47 T C -0.458 174.160 174.700 -0.136 0.000 0.949 47 T CA 0.038 62.067 62.100 -0.117 0.000 1.126 47 T CB 1.934 70.759 68.868 -0.073 0.000 1.478 47 T HN 1.227 nan 8.240 nan 0.000 0.492 48 G N -1.852 106.897 108.800 -0.086 0.000 2.411 48 G HA2 0.480 4.439 3.960 -0.000 0.000 0.295 48 G HA3 0.480 4.439 3.960 -0.000 0.000 0.295 48 G C 0.504 175.380 174.900 -0.041 0.000 1.542 48 G CA 0.364 45.421 45.100 -0.072 0.000 0.814 48 G HN 1.761 nan 8.290 nan 0.000 0.557 49 G N -1.145 107.638 108.800 -0.028 0.000 2.187 49 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.261 49 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.261 49 G C 0.497 175.390 174.900 -0.011 0.000 1.000 49 G CA 1.099 46.189 45.100 -0.016 0.000 0.718 49 G HN 0.969 nan 8.290 nan 0.000 0.519 50 L N -1.026 120.191 121.223 -0.011 0.000 2.387 50 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 50 L C 0.719 177.590 176.870 0.002 0.000 1.059 50 L CA -0.957 53.879 54.840 -0.006 0.000 0.801 50 L CB 1.071 43.125 42.059 -0.010 0.000 1.223 50 L HN -0.051 nan 8.230 nan 0.000 0.456 51 K N 2.700 123.102 120.400 0.004 0.000 2.206 51 K HA 0.390 4.710 4.320 -0.000 0.000 0.268 51 K C -0.845 175.763 176.600 0.014 0.000 1.111 51 K CA -0.248 56.045 56.287 0.010 0.000 0.955 51 K CB 0.402 32.907 32.500 0.008 0.000 1.406 51 K HN 0.386 nan 8.250 nan 0.000 0.427 52 L N 5.211 126.447 121.223 0.021 0.000 2.453 52 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 52 L C -1.218 175.670 176.870 0.031 0.000 1.182 52 L CA -1.374 53.483 54.840 0.028 0.000 0.858 52 L CB -0.200 41.885 42.059 0.043 0.000 1.120 52 L HN 0.422 nan 8.230 nan 0.000 0.474 53 P HA 0.292 nan 4.420 nan 0.000 0.279 53 P C -0.526 176.801 177.300 0.045 0.000 1.276 53 P CA -0.716 62.404 63.100 0.034 0.000 0.801 53 P CB 1.052 32.769 31.700 0.029 0.000 1.127 54 L N 0.449 121.699 121.223 0.046 0.000 2.472 54 L HA 0.264 4.604 4.340 -0.000 0.000 0.260 54 L C -1.912 174.995 176.870 0.062 0.000 1.209 54 L CA -1.864 53.007 54.840 0.051 0.000 0.817 54 L CB -0.309 41.776 42.059 0.043 0.000 1.106 54 L HN 0.261 nan 8.230 nan 0.000 0.479 55 P HA 0.019 nan 4.420 nan 0.000 0.269 55 P C -0.328 177.011 177.300 0.065 0.000 1.215 55 P CA 0.233 63.372 63.100 0.065 0.000 0.780 55 P CB 0.428 32.157 31.700 0.048 0.000 0.898 56 E N -1.727 118.528 120.200 0.091 0.000 3.763 56 E HA -0.137 4.213 4.350 -0.000 0.000 0.319 56 E C -0.407 176.333 176.600 0.233 0.000 0.804 56 E CA 0.800 57.281 56.400 0.135 0.000 1.196 56 E CB -2.106 27.620 29.700 0.044 0.000 1.607 56 E HN 0.368 nan 8.360 nan 0.000 0.431 57 S N -0.155 115.651 115.700 0.176 0.000 2.584 57 S HA 0.559 5.029 4.470 -0.000 0.000 0.273 57 S C 0.360 175.042 174.600 0.136 0.000 1.311 57 S CA 0.123 58.409 58.200 0.144 0.000 1.034 57 S CB 1.363 64.607 63.200 0.073 0.000 0.939 57 S HN 0.394 nan 8.310 nan 0.000 0.513 58 A N 3.484 126.329 122.820 0.042 0.000 2.366 58 A HA 0.664 4.984 4.320 -0.000 0.000 0.272 58 A C -0.403 177.073 177.584 -0.180 0.000 1.135 58 A CA -0.401 51.484 52.037 -0.252 0.000 0.804 58 A CB -0.121 18.714 19.000 -0.275 0.000 1.064 58 A HN 0.781 nan 8.150 nan 0.000 0.499 59 L N 1.456 122.543 121.223 -0.228 0.000 2.327 59 L HA 0.726 5.066 4.340 -0.000 0.000 0.258 59 L C 0.109 176.893 176.870 -0.142 0.000 1.024 59 L CA -0.889 53.868 54.840 -0.138 0.000 0.825 59 L CB 2.156 44.160 42.059 -0.091 0.000 1.386 59 L HN 0.845 nan 8.230 nan 0.000 0.417 60 R N 0.701 121.143 120.500 -0.098 0.000 2.561 60 R HA 0.776 5.116 4.340 -0.000 0.000 0.297 60 R C -2.046 174.213 176.300 -0.068 0.000 0.969 60 R CA -0.446 55.603 56.100 -0.086 0.000 0.879 60 R CB 2.107 32.364 30.300 -0.072 0.000 1.178 60 R HN 0.439 nan 8.270 nan 0.000 0.445 61 V N 4.703 124.578 119.914 -0.066 0.000 2.588 61 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 61 V C -0.594 175.469 176.094 -0.051 0.000 1.042 61 V CA -0.834 61.433 62.300 -0.056 0.000 0.877 61 V CB 1.806 33.594 31.823 -0.057 0.000 0.996 61 V HN 0.741 nan 8.190 nan 0.000 0.425 62 R N 2.779 123.253 120.500 -0.042 0.000 2.437 62 R HA 0.787 5.127 4.340 -0.000 0.000 0.310 62 R C -0.172 176.110 176.300 -0.032 0.000 0.955 62 R CA 0.041 56.119 56.100 -0.037 0.000 0.851 62 R CB 1.741 32.022 30.300 -0.031 0.000 1.161 62 R HN 0.987 nan 8.270 nan 0.000 0.446 63 G N 2.626 111.409 108.800 -0.029 0.000 2.441 63 G HA2 0.255 4.215 3.960 -0.000 0.000 0.294 63 G HA3 0.255 4.215 3.960 -0.000 0.000 0.294 63 G C -2.226 172.667 174.900 -0.013 0.000 1.393 63 G CA -0.911 44.177 45.100 -0.021 0.000 0.796 63 G HN 0.512 nan 8.290 nan 0.000 0.494 64 L N 0.922 122.141 121.223 -0.006 0.000 2.290 64 L HA 0.651 4.991 4.340 -0.000 0.000 0.284 64 L C 0.148 177.024 176.870 0.011 0.000 1.078 64 L CA -0.504 54.340 54.840 0.005 0.000 0.815 64 L CB 1.456 43.519 42.059 0.006 0.000 1.162 64 L HN 0.323 nan 8.230 nan 0.000 0.435 65 V N 6.484 126.411 119.914 0.022 0.000 2.439 65 V HA 0.279 4.399 4.120 -0.000 0.000 0.271 65 V C 0.055 176.167 176.094 0.030 0.000 1.040 65 V CA -0.257 62.061 62.300 0.029 0.000 1.002 65 V CB 0.902 32.757 31.823 0.053 0.000 1.000 65 V HN 0.555 nan 8.190 nan 0.000 0.477 66 V N 4.334 124.265 119.914 0.029 0.000 2.604 66 V HA 0.355 4.475 4.120 -0.000 0.000 0.305 66 V C 0.166 176.280 176.094 0.033 0.000 1.043 66 V CA -0.881 61.437 62.300 0.030 0.000 0.888 66 V CB 1.985 33.826 31.823 0.030 0.000 0.995 66 V HN 0.912 nan 8.190 nan 0.000 0.429 67 E N 3.390 123.608 120.200 0.030 0.000 2.414 67 E HA 0.138 4.488 4.350 -0.000 0.000 0.263 67 E C -0.471 176.150 176.600 0.035 0.000 1.000 67 E CA 0.160 56.577 56.400 0.029 0.000 0.914 67 E CB 0.399 30.113 29.700 0.023 0.000 0.948 67 E HN 0.632 nan 8.360 nan 0.000 0.444 68 N N 2.727 121.448 118.700 0.035 0.000 3.321 68 N HA 0.084 4.824 4.740 -0.000 0.000 0.217 68 N C -0.337 175.194 175.510 0.034 0.000 1.405 68 N CA 0.328 53.402 53.050 0.040 0.000 0.799 68 N CB 0.615 39.137 38.487 0.058 0.000 1.619 68 N HN 0.413 nan 8.380 nan 0.000 0.648 69 A N 2.774 125.610 122.820 0.027 0.000 2.032 69 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 69 A C 1.949 179.546 177.584 0.021 0.000 1.165 69 A CA 1.524 53.574 52.037 0.021 0.000 0.645 69 A CB -0.188 18.822 19.000 0.016 0.000 0.807 69 A HN 0.643 nan 8.150 nan 0.000 0.453 70 K N -0.398 120.015 120.400 0.022 0.000 2.148 70 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 70 K C 0.974 177.589 176.600 0.025 0.000 1.050 70 K CA 0.663 56.960 56.287 0.016 0.000 0.942 70 K CB -0.270 32.235 32.500 0.008 0.000 0.724 70 K HN 0.480 nan 8.250 nan 0.000 0.446 71 A N 2.039 124.881 122.820 0.037 0.000 2.332 71 A HA 0.291 4.611 4.320 -0.000 0.000 0.258 71 A C -2.407 175.203 177.584 0.043 0.000 1.087 71 A CA -1.311 50.757 52.037 0.052 0.000 0.802 71 A CB -0.021 19.019 19.000 0.066 0.000 1.042 71 A HN 0.079 nan 8.150 nan 0.000 0.489 72 P HA 0.239 nan 4.420 nan 0.000 0.262 72 P C 0.887 178.197 177.300 0.017 0.000 1.199 72 P CA 1.995 65.114 63.100 0.032 0.000 0.763 72 P CB 0.473 32.191 31.700 0.029 0.000 0.790 73 G N 3.369 112.177 108.800 0.014 0.000 2.159 73 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.256 73 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.256 73 G C 0.921 175.830 174.900 0.015 0.000 0.977 73 G CA 0.360 45.466 45.100 0.010 0.000 0.652 73 G HN 0.985 nan 8.290 nan 0.000 0.531 74 G N -1.937 106.875 108.800 0.020 0.000 2.180 74 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.263 74 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.263 74 G C 0.254 175.169 174.900 0.026 0.000 0.989 74 G CA 1.130 46.243 45.100 0.022 0.000 0.692 74 G HN 1.338 nan 8.290 nan 0.000 0.526 75 L N -0.590 120.649 121.223 0.027 0.000 2.279 75 L HA 0.947 5.287 4.340 -0.000 0.000 0.262 75 L C 0.111 177.002 176.870 0.035 0.000 1.019 75 L CA -0.943 53.914 54.840 0.029 0.000 0.823 75 L CB 1.841 43.913 42.059 0.023 0.000 1.358 75 L HN 0.513 nan 8.230 nan 0.000 0.432 76 E N 0.026 120.247 120.200 0.036 0.000 2.375 76 E HA 0.538 4.888 4.350 -0.000 0.000 0.280 76 E C -2.156 174.460 176.600 0.028 0.000 0.972 76 E CA -0.537 55.889 56.400 0.044 0.000 0.782 76 E CB 2.472 32.216 29.700 0.074 0.000 1.229 76 E HN 0.218 nan 8.360 nan 0.000 0.439 77 V N 3.283 123.207 119.914 0.017 0.000 2.378 77 V HA 0.275 4.395 4.120 -0.000 0.000 0.288 77 V C -0.580 175.511 176.094 -0.004 0.000 1.016 77 V CA -0.638 61.663 62.300 0.001 0.000 0.840 77 V CB 1.463 33.275 31.823 -0.018 0.000 0.994 77 V HN 0.689 nan 8.190 nan 0.000 0.431 78 Q N 3.381 123.178 119.800 -0.005 0.000 2.361 78 Q HA 0.569 4.909 4.340 -0.000 0.000 0.250 78 Q C 0.362 176.347 176.000 -0.026 0.000 1.023 78 Q CA -0.220 55.572 55.803 -0.018 0.000 0.915 78 Q CB 1.327 30.059 28.738 -0.011 0.000 1.238 78 Q HN 0.929 nan 8.270 nan 0.000 0.451 79 A N 3.290 126.088 122.820 -0.037 0.000 2.520 79 A HA 0.043 4.363 4.320 -0.000 0.000 0.245 79 A C 0.540 178.104 177.584 -0.033 0.000 1.072 79 A CA -0.001 52.014 52.037 -0.036 0.000 0.761 79 A CB 0.352 19.327 19.000 -0.043 0.000 1.004 79 A HN 0.681 nan 8.150 nan 0.000 0.499 80 K N 0.962 121.345 120.400 -0.028 0.000 2.348 80 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 80 K C 0.351 176.936 176.600 -0.024 0.000 1.052 80 K CA 0.706 56.979 56.287 -0.023 0.000 1.004 80 K CB 0.630 33.118 32.500 -0.019 0.000 0.873 80 K HN 0.878 nan 8.250 nan 0.000 0.523 81 E N 0.362 120.545 120.200 -0.027 0.000 2.354 81 E HA 0.287 4.637 4.350 -0.000 0.000 0.283 81 E C -1.775 174.806 176.600 -0.031 0.000 0.938 81 E CA -0.506 55.878 56.400 -0.027 0.000 0.777 81 E CB 2.197 31.882 29.700 -0.024 0.000 1.222 81 E HN -0.243 nan 8.360 nan 0.000 0.423 82 V N 3.592 123.489 119.914 -0.030 0.000 2.525 82 V HA 0.378 4.498 4.120 -0.000 0.000 0.299 82 V C -0.690 175.386 176.094 -0.029 0.000 1.034 82 V CA -0.680 61.600 62.300 -0.032 0.000 0.863 82 V CB 1.600 33.405 31.823 -0.030 0.000 0.999 82 V HN 0.701 nan 8.190 nan 0.000 0.423 83 E N 3.818 123.998 120.200 -0.035 0.000 2.176 83 E HA 0.585 4.935 4.350 -0.000 0.000 0.267 83 E C -1.423 175.155 176.600 -0.037 0.000 0.893 83 E CA -0.615 55.766 56.400 -0.032 0.000 0.761 83 E CB 2.157 31.836 29.700 -0.034 0.000 1.133 83 E HN 0.479 nan 8.360 nan 0.000 0.409 84 V N 7.033 126.931 119.914 -0.027 0.000 2.368 84 V HA 0.085 4.205 4.120 -0.000 0.000 0.266 84 V C 1.242 177.319 176.094 -0.028 0.000 1.045 84 V CA -0.078 62.207 62.300 -0.026 0.000 0.899 84 V CB 0.726 32.543 31.823 -0.009 0.000 1.006 84 V HN 0.832 nan 8.190 nan 0.000 0.470 85 L N 2.923 124.118 121.223 -0.046 0.000 2.179 85 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 85 L C 1.098 177.955 176.870 -0.022 0.000 1.096 85 L CA 1.065 55.879 54.840 -0.044 0.000 0.779 85 L CB 0.122 42.135 42.059 -0.078 0.000 0.922 85 L HN 0.685 nan 8.230 nan 0.000 0.443 86 S N 0.079 115.772 115.700 -0.011 0.000 2.382 86 S HA 0.298 4.768 4.470 -0.000 0.000 0.228 86 S C -2.737 171.888 174.600 0.042 0.000 0.996 86 S CA -1.076 57.137 58.200 0.022 0.000 1.094 86 S CB 1.069 64.294 63.200 0.042 0.000 1.209 86 S HN -0.155 nan 8.310 nan 0.000 0.420 87 P HA 0.342 nan 4.420 nan 0.000 0.276 87 P C -0.261 177.074 177.300 0.058 0.000 1.230 87 P CA -0.237 62.889 63.100 0.044 0.000 0.776 87 P CB 0.868 32.586 31.700 0.031 0.000 0.888 88 A N 3.674 126.535 122.820 0.069 0.000 2.371 88 A HA 0.255 4.575 4.320 -0.000 0.000 0.257 88 A C 1.334 178.950 177.584 0.053 0.000 1.089 88 A CA -0.360 51.720 52.037 0.072 0.000 0.794 88 A CB -0.185 18.861 19.000 0.076 0.000 1.029 88 A HN 0.628 nan 8.150 nan 0.000 0.488 89 L N -0.106 121.148 121.223 0.051 0.000 2.408 89 L HA 0.195 4.535 4.340 -0.000 0.000 0.215 89 L C 0.309 177.200 176.870 0.036 0.000 1.081 89 L CA 0.539 55.402 54.840 0.040 0.000 0.840 89 L CB -0.082 41.998 42.059 0.036 0.000 1.002 89 L HN 0.604 nan 8.230 nan 0.000 0.468 90 E N -0.282 119.942 120.200 0.041 0.000 2.343 90 E HA 0.430 4.780 4.350 -0.000 0.000 0.270 90 E C -2.389 174.227 176.600 0.027 0.000 0.895 90 E CA -2.051 54.369 56.400 0.034 0.000 0.767 90 E CB 1.327 31.051 29.700 0.040 0.000 1.248 90 E HN -0.199 nan 8.360 nan 0.000 0.440 91 P HA 0.062 nan 4.420 nan 0.000 0.271 91 P C -0.435 176.850 177.300 -0.025 0.000 1.216 91 P CA -0.061 63.037 63.100 -0.003 0.000 0.776 91 P CB 0.265 31.959 31.700 -0.009 0.000 0.881 92 T N 0.791 115.317 114.554 -0.046 0.000 2.928 92 T HA 0.092 4.442 4.350 -0.000 0.000 0.305 92 T C -1.644 172.954 174.700 -0.168 0.000 1.035 92 T CA -1.027 61.015 62.100 -0.097 0.000 1.145 92 T CB -0.046 68.755 68.868 -0.112 0.000 0.963 92 T HN 0.230 nan 8.240 nan 0.000 0.545 93 P HA -0.016 nan 4.420 nan 0.000 0.217 93 P C -0.057 176.999 177.300 -0.406 0.000 1.151 93 P CA 0.638 63.453 63.100 -0.475 0.000 0.849 93 P CB 0.155 31.160 31.700 -1.158 0.000 0.787 94 V N -0.914 118.786 119.914 -0.357 0.000 2.876 94 V HA 0.157 4.277 4.120 -0.000 0.000 0.312 94 V C -0.084 175.919 176.094 -0.152 0.000 1.085 94 V CA -0.992 61.177 62.300 -0.219 0.000 0.945 94 V CB 2.278 33.984 31.823 -0.194 0.000 1.017 94 V HN -0.160 nan 8.190 nan 0.000 0.428 95 E N 3.126 123.264 120.200 -0.103 0.000 2.059 95 E HA 0.131 4.481 4.350 -0.000 0.000 0.262 95 E C 0.859 177.407 176.600 -0.087 0.000 1.230 95 E CA -0.006 56.344 56.400 -0.084 0.000 0.951 95 E CB 0.477 30.142 29.700 -0.057 0.000 1.038 95 E HN 0.500 nan 8.360 nan 0.000 0.425 96 I N 3.766 124.262 120.570 -0.123 0.000 2.151 96 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 96 I C -0.939 175.118 176.117 -0.099 0.000 1.080 96 I CA 0.631 61.855 61.300 -0.128 0.000 1.339 96 I CB -1.236 36.659 38.000 -0.176 0.000 1.039 96 I HN 0.393 nan 8.210 nan 0.000 0.409 112 R N 0.487 120.940 120.500 -0.078 0.000 2.159 112 R HA -0.283 4.057 4.340 -0.000 0.000 0.249 112 R C 1.802 178.058 176.300 -0.074 0.000 1.136 112 R CA 2.733 58.798 56.100 -0.059 0.000 0.951 112 R CB -1.196 29.141 30.300 0.061 0.000 0.876 112 R HN 0.803 nan 8.270 nan 0.000 0.440 113 Y N -0.988 119.390 120.300 0.130 0.000 2.405 113 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 113 Y C 2.066 178.003 175.900 0.062 0.000 1.182 113 Y CA 1.269 59.446 58.100 0.129 0.000 1.312 113 Y CB -0.567 37.962 38.460 0.115 0.000 0.971 113 Y HN -0.024 nan 8.280 nan 0.000 0.560 114 V N -0.287 119.369 119.914 -0.430 0.000 3.251 114 V HA -0.064 4.056 4.120 -0.000 0.000 0.239 114 V C 2.086 178.048 176.094 -0.221 0.000 1.332 114 V CA 1.191 63.323 62.300 -0.281 0.000 1.224 114 V CB -0.014 31.613 31.823 -0.327 0.000 1.004 114 V HN 0.606 nan 8.190 nan 0.000 0.464 115 T N -0.934 113.484 114.554 -0.227 0.000 2.962 115 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 115 T C 1.754 176.379 174.700 -0.126 0.000 1.088 115 T CA 1.439 63.449 62.100 -0.150 0.000 1.127 115 T CB -0.334 68.464 68.868 -0.116 0.000 0.883 115 T HN 0.302 nan 8.240 nan 0.000 0.493 116 L N 1.101 122.241 121.223 -0.139 0.000 2.465 116 L HA 0.257 4.597 4.340 -0.000 0.000 0.224 116 L C 2.403 179.209 176.870 -0.107 0.000 1.145 116 L CA 0.952 55.710 54.840 -0.136 0.000 0.834 116 L CB -0.752 41.205 42.059 -0.171 0.000 0.944 116 L HN 0.204 nan 8.230 nan 0.000 0.451 117 R N -0.507 119.925 120.500 -0.114 0.000 2.189 117 R HA 0.063 4.403 4.340 -0.000 0.000 0.218 117 R C 1.143 177.418 176.300 -0.041 0.000 1.074 117 R CA 0.460 56.492 56.100 -0.114 0.000 0.991 117 R CB -0.492 29.685 30.300 -0.205 0.000 0.883 117 R HN 0.457 nan 8.270 nan 0.000 0.457 118 G N 0.949 109.740 108.800 -0.016 0.000 2.484 118 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.235 118 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.235 118 G C 0.344 175.268 174.900 0.040 0.000 1.282 118 G CA -0.348 44.787 45.100 0.058 0.000 0.857 118 G HN 0.229 nan 8.290 nan 0.000 0.571 119 E N 1.113 121.347 120.200 0.057 0.000 2.058 119 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 119 E C 2.308 178.926 176.600 0.029 0.000 0.997 119 E CA 1.300 57.714 56.400 0.024 0.000 0.801 119 E CB 0.029 29.730 29.700 0.001 0.000 0.746 119 E HN 0.571 nan 8.360 nan 0.000 0.450 120 K N 0.219 120.645 120.400 0.043 0.000 2.155 120 K HA -0.002 4.317 4.320 -0.000 0.000 0.203 120 K C 2.096 178.724 176.600 0.047 0.000 1.052 120 K CA 0.778 57.096 56.287 0.052 0.000 0.948 120 K CB 0.041 32.581 32.500 0.066 0.000 0.728 120 K HN 0.026 nan 8.250 nan 0.000 0.448 121 A N 2.207 125.039 122.820 0.019 0.000 1.929 121 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 121 A C 2.073 179.635 177.584 -0.037 0.000 1.176 121 A CA 1.158 53.180 52.037 -0.025 0.000 0.628 121 A CB -0.336 18.625 19.000 -0.065 0.000 0.816 121 A HN 0.272 nan 8.150 nan 0.000 0.444 122 R N -0.477 120.008 120.500 -0.024 0.000 2.173 122 R HA 0.220 4.560 4.340 -0.000 0.000 0.208 122 R C 2.022 178.323 176.300 0.001 0.000 1.035 122 R CA 1.235 57.318 56.100 -0.028 0.000 1.004 122 R CB -0.635 29.652 30.300 -0.023 0.000 0.917 122 R HN 0.252 nan 8.270 nan 0.000 0.462 123 A N 2.615 125.448 122.820 0.022 0.000 1.917 123 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 123 A C -0.342 177.274 177.584 0.053 0.000 1.182 123 A CA 1.263 53.324 52.037 0.040 0.000 0.633 123 A CB -1.358 17.671 19.000 0.050 0.000 0.819 123 A HN 0.367 nan 8.150 nan 0.000 0.448 124 P HA -0.107 nan 4.420 nan 0.000 0.218 124 P C 1.346 178.679 177.300 0.055 0.000 1.149 124 P CA 0.811 63.955 63.100 0.073 0.000 0.817 124 P CB -0.115 31.638 31.700 0.088 0.000 0.785 125 L N -1.075 120.164 121.223 0.028 0.000 2.156 125 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 125 L C 2.429 179.318 176.870 0.033 0.000 1.095 125 L CA 1.170 56.020 54.840 0.017 0.000 0.770 125 L CB -0.627 41.419 42.059 -0.020 0.000 0.914 125 L HN -0.094 nan 8.230 nan 0.000 0.439 126 K N 0.474 120.896 120.400 0.036 0.000 2.057 126 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 126 K C 1.834 178.469 176.600 0.060 0.000 1.050 126 K CA 1.315 57.628 56.287 0.044 0.000 0.935 126 K CB -0.342 32.181 32.500 0.039 0.000 0.715 126 K HN 0.014 nan 8.250 nan 0.000 0.439 127 V N 1.079 121.037 119.914 0.073 0.000 2.358 127 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 127 V C 2.554 178.705 176.094 0.094 0.000 1.047 127 V CA 2.065 64.425 62.300 0.100 0.000 1.035 127 V CB -0.507 31.396 31.823 0.133 0.000 0.658 127 V HN 0.504 nan 8.190 nan 0.000 0.452 128 Q N 0.006 119.851 119.800 0.075 0.000 2.084 128 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 128 Q C 2.243 178.277 176.000 0.056 0.000 0.978 128 Q CA 1.936 57.775 55.803 0.061 0.000 0.844 128 Q CB -0.260 28.507 28.738 0.048 0.000 0.898 128 Q HN 0.637 nan 8.270 nan 0.000 0.426 129 A N 0.544 123.398 122.820 0.057 0.000 1.933 129 A HA -0.104 4.215 4.320 -0.000 0.000 0.218 129 A C 2.217 179.842 177.584 0.068 0.000 1.175 129 A CA 1.584 53.656 52.037 0.059 0.000 0.628 129 A CB -0.806 18.227 19.000 0.056 0.000 0.814 129 A HN 0.552 nan 8.150 nan 0.000 0.444 130 A N -0.129 122.735 122.820 0.073 0.000 1.873 130 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 130 A C 2.138 179.776 177.584 0.091 0.000 1.186 130 A CA 1.374 53.460 52.037 0.081 0.000 0.616 130 A CB -0.632 18.419 19.000 0.085 0.000 0.823 130 A HN 0.457 nan 8.150 nan 0.000 0.442 131 L N -0.374 120.905 121.223 0.093 0.000 2.042 131 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 131 L C 2.482 179.409 176.870 0.095 0.000 1.076 131 L CA 1.245 56.139 54.840 0.090 0.000 0.749 131 L CB -0.628 41.471 42.059 0.067 0.000 0.893 131 L HN 0.247 nan 8.230 nan 0.000 0.432 132 V N -0.378 119.580 119.914 0.073 0.000 2.427 132 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 132 V C 2.652 178.842 176.094 0.160 0.000 1.051 132 V CA 1.672 64.024 62.300 0.086 0.000 1.048 132 V CB -0.676 31.172 31.823 0.041 0.000 0.666 132 V HN 0.446 nan 8.190 nan 0.000 0.456 133 R N 0.462 121.033 120.500 0.118 0.000 2.081 133 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 133 R C 2.340 178.699 176.300 0.098 0.000 1.131 133 R CA 1.787 57.950 56.100 0.106 0.000 0.960 133 R CB -0.704 29.646 30.300 0.083 0.000 0.856 133 R HN 0.522 nan 8.270 nan 0.000 0.436 134 G N 0.193 109.055 108.800 0.104 0.000 2.422 134 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 134 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 134 G C 1.239 176.189 174.900 0.085 0.000 1.146 134 G CA 0.544 45.696 45.100 0.088 0.000 0.769 134 G HN 0.398 nan 8.290 nan 0.000 0.547 135 F N 1.793 121.709 119.950 -0.056 0.000 2.069 135 F HA -0.074 4.453 4.527 0.000 0.000 0.298 135 F C 2.889 178.536 175.800 -0.254 0.000 1.113 135 F CA 1.843 59.766 58.000 -0.129 0.000 1.214 135 F CB -0.129 38.800 39.000 -0.119 0.000 0.978 135 F HN -0.013 nan 8.300 nan 0.000 0.474 136 R N -0.191 120.230 120.500 -0.133 0.000 2.092 136 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 136 R C 2.478 178.634 176.300 -0.241 0.000 1.119 136 R CA 1.270 57.176 56.100 -0.323 0.000 0.970 136 R CB -0.537 29.802 30.300 0.065 0.000 0.864 136 R HN 0.333 nan 8.270 nan 0.000 0.440 137 R N 0.214 120.655 120.500 -0.099 0.000 2.070 137 R HA -0.194 4.146 4.340 -0.000 0.000 0.233 137 R C 2.227 178.459 176.300 -0.113 0.000 1.137 137 R CA 1.670 57.735 56.100 -0.059 0.000 0.945 137 R CB -0.457 29.847 30.300 0.005 0.000 0.845 137 R HN 0.185 nan 8.270 nan 0.000 0.430 138 Y N 1.442 121.616 120.300 -0.211 0.000 2.114 138 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 138 Y C 1.984 177.702 175.900 -0.303 0.000 1.165 138 Y CA 1.936 59.902 58.100 -0.224 0.000 1.148 138 Y CB -0.421 37.895 38.460 -0.241 0.000 0.972 138 Y HN 0.061 nan 8.280 nan 0.000 0.504 139 L N -0.334 120.533 121.223 -0.593 0.000 2.056 139 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 139 L C 2.158 178.847 176.870 -0.302 0.000 1.078 139 L CA 1.422 55.787 54.840 -0.792 0.000 0.749 139 L CB -0.647 40.638 42.059 -1.291 0.000 0.901 139 L HN 0.173 nan 8.230 nan 0.000 0.433 140 D N 0.020 120.300 120.400 -0.200 0.000 2.123 140 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 140 D C 2.241 178.510 176.300 -0.051 0.000 0.992 140 D CA 1.102 55.093 54.000 -0.015 0.000 0.833 140 D CB -0.117 40.685 40.800 0.003 0.000 0.954 140 D HN 0.166 nan 8.370 nan 0.000 0.455 141 R N 0.262 120.676 120.500 -0.142 0.000 2.189 141 R HA -0.062 4.278 4.340 -0.000 0.000 0.223 141 R C 0.937 177.152 176.300 -0.142 0.000 1.092 141 R CA 0.826 56.844 56.100 -0.137 0.000 0.989 141 R CB 0.215 30.418 30.300 -0.162 0.000 0.876 141 R HN 0.031 nan 8.270 nan 0.000 0.457 142 Q N 0.329 120.031 119.800 -0.163 0.000 2.212 142 Q HA 0.050 4.389 4.340 -0.000 0.000 0.213 142 Q C -0.602 175.464 176.000 0.110 0.000 0.874 142 Q CA 0.222 56.003 55.803 -0.037 0.000 0.965 142 Q CB 0.652 29.375 28.738 -0.025 0.000 1.074 142 Q HN 0.258 nan 8.270 nan 0.000 0.473 143 D N -0.929 119.508 120.400 0.063 0.000 3.041 143 D HA -0.179 4.461 4.640 -0.000 0.000 0.220 143 D C -0.900 175.421 176.300 0.036 0.000 1.157 143 D CA 0.421 54.437 54.000 0.027 0.000 0.876 143 D CB -1.110 39.670 40.800 -0.033 0.000 1.107 143 D HN 0.184 nan 8.370 nan 0.000 0.422 144 F N 0.096 120.020 119.950 -0.043 0.000 2.406 144 F HA 0.410 4.937 4.527 -0.000 0.000 0.327 144 F C 1.442 177.228 175.800 -0.022 0.000 1.153 144 F CA 0.202 58.213 58.000 0.018 0.000 1.218 144 F CB 1.000 40.071 39.000 0.117 0.000 1.215 144 F HN -0.298 nan 8.300 nan 0.000 0.570 145 T N 1.728 116.285 114.554 0.005 0.000 2.809 145 T HA 0.178 4.528 4.350 -0.000 0.000 0.284 145 T C -0.592 173.821 174.700 -0.479 0.000 0.992 145 T CA -0.752 61.165 62.100 -0.305 0.000 0.957 145 T CB 0.998 69.394 68.868 -0.786 0.000 0.942 145 T HN 0.532 nan 8.240 nan 0.000 0.439 146 E N 4.161 123.967 120.200 -0.656 0.000 2.376 146 E HA 0.333 4.683 4.350 -0.000 0.000 0.266 146 E C -0.165 175.969 176.600 -0.777 0.000 1.009 146 E CA -0.384 55.361 56.400 -1.090 0.000 0.902 146 E CB 0.399 29.613 29.700 -0.811 0.000 0.972 146 E HN 0.648 nan 8.360 nan 0.000 0.439 147 I N 0.251 120.314 120.570 -0.845 0.000 3.067 147 I HA 0.577 4.747 4.170 -0.000 0.000 0.312 147 I C -1.183 174.357 176.117 -0.963 0.000 1.073 147 I CA -1.269 59.667 61.300 -0.606 0.000 1.016 147 I CB 1.569 39.433 38.000 -0.227 0.000 1.227 147 I HN 0.353 nan 8.210 nan 0.000 0.456 148 F N 1.289 121.197 119.950 -0.071 0.000 2.659 148 F HA 0.458 4.985 4.527 -0.000 0.000 0.342 148 F C 0.290 176.043 175.800 -0.079 0.000 1.168 148 F CA -0.557 57.407 58.000 -0.060 0.000 1.003 148 F CB 1.865 40.833 39.000 -0.055 0.000 1.267 148 F HN 0.616 nan 8.300 nan 0.000 0.463 149 T N -0.021 114.548 114.554 0.025 0.000 2.944 149 T HA 0.779 5.129 4.350 -0.000 0.000 0.284 149 T C -2.020 172.653 174.700 -0.045 0.000 1.010 149 T CA -1.824 60.227 62.100 -0.081 0.000 1.025 149 T CB 1.358 70.206 68.868 -0.033 0.000 1.079 149 T HN 0.165 nan 8.240 nan 0.000 0.516 181 L N 0.706 121.934 121.223 0.009 0.000 2.056 181 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 181 L C 1.604 178.486 176.870 0.020 0.000 1.078 181 L CA 2.064 56.961 54.840 0.095 0.000 0.749 181 L CB -0.680 41.443 42.059 0.107 0.000 0.901 181 L HN 0.361 nan 8.230 nan 0.000 0.433 182 Y N 0.573 120.909 120.300 0.060 0.000 2.165 182 Y HA -0.215 4.334 4.550 -0.000 0.000 0.286 182 Y C 2.510 178.396 175.900 -0.024 0.000 1.155 182 Y CA 1.529 59.637 58.100 0.013 0.000 1.164 182 Y CB -0.863 37.610 38.460 0.021 0.000 0.978 182 Y HN 0.244 nan 8.280 nan 0.000 0.513 183 K N -0.080 120.399 120.400 0.131 0.000 2.211 183 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 183 K C 1.965 178.538 176.600 -0.045 0.000 1.050 183 K CA 1.361 57.673 56.287 0.041 0.000 0.945 183 K CB -0.181 32.338 32.500 0.031 0.000 0.732 183 K HN 0.492 nan 8.250 nan 0.000 0.451 184 Q N 0.477 120.231 119.800 -0.077 0.000 2.096 184 Q HA -0.024 4.316 4.340 -0.000 0.000 0.197 184 Q C 2.148 177.977 176.000 -0.284 0.000 0.964 184 Q CA 0.956 56.611 55.803 -0.248 0.000 0.838 184 Q CB -0.041 28.599 28.738 -0.163 0.000 0.906 184 Q HN 0.307 nan 8.270 nan 0.000 0.444 185 I N 0.521 120.989 120.570 -0.171 0.000 2.286 185 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 185 I C 2.073 178.101 176.117 -0.149 0.000 1.115 185 I CA 0.840 62.042 61.300 -0.165 0.000 1.392 185 I CB -0.179 37.791 38.000 -0.050 0.000 1.065 185 I HN 0.288 nan 8.210 nan 0.000 0.418 186 M N -0.192 119.356 119.600 -0.086 0.000 2.476 186 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 186 M C 2.315 178.564 176.300 -0.086 0.000 1.079 186 M CA 1.068 56.328 55.300 -0.067 0.000 1.104 186 M CB -1.005 31.615 32.600 0.034 0.000 1.409 186 M HN 0.090 nan 8.290 nan 0.000 0.467 187 V N 0.041 119.867 119.914 -0.147 0.000 2.515 187 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 187 V C 2.410 178.397 176.094 -0.179 0.000 1.058 187 V CA 1.918 64.115 62.300 -0.171 0.000 1.064 187 V CB -1.275 30.358 31.823 -0.316 0.000 0.675 187 V HN 0.544 nan 8.190 nan 0.000 0.461 188 G N -1.010 107.660 108.800 -0.216 0.000 2.650 188 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 188 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 188 G C 1.387 176.177 174.900 -0.184 0.000 1.136 188 G CA 0.962 45.949 45.100 -0.189 0.000 0.789 188 G HN 0.414 nan 8.290 nan 0.000 0.536 189 V N -0.704 119.059 119.914 -0.252 0.000 2.581 189 V HA 0.246 4.366 4.120 -0.000 0.000 0.240 189 V C 1.599 177.386 176.094 -0.512 0.000 1.054 189 V CA 0.859 62.887 62.300 -0.455 0.000 1.076 189 V CB -0.290 31.138 31.823 -0.658 0.000 0.748 189 V HN 0.247 nan 8.190 nan 0.000 0.474 190 F N -0.537 119.370 119.950 -0.071 0.000 2.706 190 F HA 0.357 4.884 4.527 -0.000 0.000 0.313 190 F C 1.408 177.153 175.800 -0.091 0.000 1.096 190 F CA -0.332 57.623 58.000 -0.075 0.000 1.219 190 F CB -0.020 38.929 39.000 -0.085 0.000 1.051 190 F HN 0.131 nan 8.300 nan 0.000 0.568 191 E N -0.276 119.959 120.200 0.060 0.000 5.150 191 E HA -0.313 4.037 4.350 -0.000 0.000 0.167 191 E C 0.266 176.809 176.600 -0.094 0.000 1.196 191 E CA 1.692 58.110 56.400 0.030 0.000 2.189 191 E CB -0.767 29.003 29.700 0.117 0.000 1.820 191 E HN 0.338 nan 8.360 nan 0.000 0.420 192 R N 0.251 120.631 120.500 -0.200 0.000 2.502 192 R HA 0.532 4.872 4.340 -0.000 0.000 0.298 192 R C -0.825 175.312 176.300 -0.271 0.000 1.018 192 R CA -0.245 55.514 56.100 -0.569 0.000 0.899 192 R CB 2.482 31.962 30.300 -1.365 0.000 1.181 192 R HN 0.083 nan 8.270 nan 0.000 0.444 193 V N -0.230 119.716 119.914 0.053 0.000 3.159 193 V HA 0.838 4.958 4.120 -0.000 0.000 0.308 193 V C -1.440 174.873 176.094 0.366 0.000 1.190 193 V CA -1.013 61.397 62.300 0.183 0.000 1.037 193 V CB 1.988 33.841 31.823 0.050 0.000 1.060 193 V HN 0.782 nan 8.190 nan 0.000 0.437 194 Y N -0.865 119.493 120.300 0.097 0.000 2.638 194 Y HA 0.906 5.456 4.550 -0.000 0.000 0.335 194 Y C -0.937 174.956 175.900 -0.013 0.000 1.155 194 Y CA -0.703 57.427 58.100 0.050 0.000 1.046 194 Y CB 1.756 40.205 38.460 -0.017 0.000 1.303 194 Y HN 1.039 nan 8.280 nan 0.000 0.460 195 E N 1.042 121.357 120.200 0.191 0.000 2.352 195 E HA 0.633 4.983 4.350 -0.000 0.000 0.280 195 E C -2.317 174.350 176.600 0.111 0.000 0.930 195 E CA -0.983 55.413 56.400 -0.007 0.000 0.765 195 E CB 2.763 32.400 29.700 -0.104 0.000 1.219 195 E HN 0.670 nan 8.360 nan 0.000 0.434 196 V N 2.685 122.633 119.914 0.055 0.000 2.304 196 V HA 0.834 4.953 4.120 -0.000 0.000 0.278 196 V C -0.421 175.677 176.094 0.006 0.000 1.018 196 V CA 0.023 62.340 62.300 0.027 0.000 0.814 196 V CB 0.500 32.374 31.823 0.085 0.000 1.021 196 V HN 0.744 nan 8.190 nan 0.000 0.440 197 A N 6.537 129.337 122.820 -0.034 0.000 2.610 197 A HA 0.955 5.275 4.320 -0.000 0.000 0.291 197 A C -3.264 174.267 177.584 -0.088 0.000 1.086 197 A CA -1.435 50.587 52.037 -0.025 0.000 0.677 197 A CB 1.955 20.956 19.000 0.001 0.000 1.278 197 A HN 0.534 nan 8.150 nan 0.000 0.414 198 P HA 0.514 nan 4.420 nan 0.000 0.272 198 P C -0.612 176.580 177.300 -0.179 0.000 1.230 198 P CA -0.115 62.910 63.100 -0.126 0.000 0.788 198 P CB 0.870 32.546 31.700 -0.040 0.000 0.949 214 Y N 2.018 122.343 120.300 0.042 0.000 2.562 214 Y HA 0.651 5.201 4.550 -0.000 0.000 0.345 214 Y C -1.448 174.471 175.900 0.031 0.000 1.045 214 Y CA -1.543 56.580 58.100 0.038 0.000 1.028 214 Y CB 0.950 39.431 38.460 0.036 0.000 1.297 214 Y HN 0.370 nan 8.280 nan 0.000 0.463 215 L N 3.081 124.304 121.223 0.001 0.000 2.418 215 L HA 0.412 4.752 4.340 -0.000 0.000 0.274 215 L C -0.032 176.753 176.870 -0.141 0.000 1.135 215 L CA 0.691 55.477 54.840 -0.090 0.000 0.870 215 L CB 0.701 42.754 42.059 -0.010 0.000 1.154 215 L HN 0.729 nan 8.230 nan 0.000 0.462 216 S N 5.628 121.182 115.700 -0.245 0.000 2.473 216 S HA 0.642 5.112 4.470 -0.000 0.000 0.307 216 S C -0.692 173.812 174.600 -0.160 0.000 1.094 216 S CA -0.770 57.321 58.200 -0.183 0.000 1.070 216 S CB 0.561 63.600 63.200 -0.268 0.000 1.019 216 S HN 0.552 nan 8.310 nan 0.000 0.480 217 L N 4.608 125.710 121.223 -0.201 0.000 2.297 217 L HA 0.499 4.839 4.340 -0.000 0.000 0.277 217 L C -0.757 176.041 176.870 -0.120 0.000 1.040 217 L CA -0.844 53.744 54.840 -0.420 0.000 0.867 217 L CB 0.715 42.112 42.059 -1.102 0.000 1.244 217 L HN 0.477 nan 8.230 nan 0.000 0.433 218 D N 2.563 122.979 120.400 0.027 0.000 2.210 218 D HA 0.544 5.184 4.640 -0.000 0.000 0.249 218 D C -0.266 176.095 176.300 0.102 0.000 1.062 218 D CA -0.147 53.879 54.000 0.044 0.000 0.891 218 D CB 2.796 43.614 40.800 0.030 0.000 1.186 218 D HN 0.041 nan 8.370 nan 0.000 0.432 219 V N 1.353 121.182 119.914 -0.142 0.000 2.686 219 V HA 0.494 4.613 4.120 -0.000 0.000 0.306 219 V C -0.455 175.591 176.094 -0.080 0.000 1.065 219 V CA -0.760 61.440 62.300 -0.168 0.000 0.894 219 V CB 2.091 33.525 31.823 -0.649 0.000 1.004 219 V HN 0.422 nan 8.190 nan 0.000 0.424 220 E N 4.417 124.688 120.200 0.118 0.000 2.278 220 E HA 0.767 5.117 4.350 -0.000 0.000 0.272 220 E C -1.004 175.687 176.600 0.152 0.000 0.890 220 E CA -0.517 55.951 56.400 0.115 0.000 0.770 220 E CB 1.845 31.575 29.700 0.050 0.000 1.212 220 E HN 0.780 nan 8.360 nan 0.000 0.415 221 M N 2.017 121.706 119.600 0.148 0.000 2.433 221 M HA 0.864 5.343 4.480 -0.000 0.000 0.290 221 M C -0.385 175.957 176.300 0.071 0.000 1.173 221 M CA -0.850 54.489 55.300 0.066 0.000 0.905 221 M CB 2.080 34.757 32.600 0.129 0.000 1.692 221 M HN 0.467 nan 8.290 nan 0.000 0.462 222 G N 0.842 109.644 108.800 0.004 0.000 2.552 222 G HA2 0.728 4.688 3.960 -0.000 0.000 0.318 222 G HA3 0.728 4.688 3.960 -0.000 0.000 0.318 222 G C -0.692 174.224 174.900 0.027 0.000 1.240 222 G CA -0.937 44.131 45.100 -0.054 0.000 1.002 222 G HN 0.897 nan 8.290 nan 0.000 0.493 223 F N -1.790 118.153 119.950 -0.011 0.000 3.074 223 F HA -0.178 4.349 4.527 0.000 0.000 0.287 223 F C 0.943 176.726 175.800 -0.028 0.000 0.932 223 F CA 0.581 58.561 58.000 -0.033 0.000 0.995 223 F CB -2.100 36.879 39.000 -0.035 0.000 0.966 223 F HN 0.568 nan 8.300 nan 0.000 0.721 224 I N -2.666 117.943 120.570 0.064 0.000 2.783 224 I HA 0.797 4.967 4.170 -0.000 0.000 0.312 224 I C 1.072 177.187 176.117 -0.004 0.000 0.988 224 I CA -0.327 61.000 61.300 0.045 0.000 1.182 224 I CB 1.654 39.677 38.000 0.039 0.000 1.368 224 I HN -0.044 nan 8.210 nan 0.000 0.511 225 A N 1.869 124.685 122.820 -0.005 0.000 1.911 225 A HA 0.185 4.505 4.320 -0.000 0.000 0.212 225 A C 0.254 177.795 177.584 -0.072 0.000 1.189 225 A CA 1.466 53.487 52.037 -0.028 0.000 0.639 225 A CB -0.627 18.366 19.000 -0.011 0.000 0.839 225 A HN 0.996 nan 8.150 nan 0.000 0.449 226 D N -3.604 116.757 120.400 -0.065 0.000 2.865 226 D HA 0.114 4.754 4.640 -0.000 0.000 0.343 226 D C 0.395 176.675 176.300 -0.033 0.000 1.372 226 D CA 0.075 54.021 54.000 -0.091 0.000 0.862 226 D CB -0.174 40.582 40.800 -0.074 0.000 1.425 226 D HN -0.049 nan 8.370 nan 0.000 0.501 227 E N 0.194 120.392 120.200 -0.004 0.000 2.333 227 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 227 E C 1.068 177.666 176.600 -0.003 0.000 1.007 227 E CA 1.240 57.698 56.400 0.097 0.000 0.845 227 E CB -0.079 29.740 29.700 0.198 0.000 0.766 227 E HN 0.475 nan 8.360 nan 0.000 0.507 228 E N 1.325 121.481 120.200 -0.075 0.000 2.204 228 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 228 E C 1.307 177.824 176.600 -0.138 0.000 0.990 228 E CA 1.241 57.545 56.400 -0.160 0.000 0.821 228 E CB -0.141 29.490 29.700 -0.115 0.000 0.750 228 E HN 0.239 nan 8.360 nan 0.000 0.477 229 D N -0.419 119.954 120.400 -0.046 0.000 2.144 229 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 229 D C 1.929 178.250 176.300 0.035 0.000 0.978 229 D CA 0.740 54.743 54.000 0.006 0.000 0.833 229 D CB -0.078 40.755 40.800 0.055 0.000 0.961 229 D HN 0.279 nan 8.370 nan 0.000 0.470 230 L N -0.153 121.112 121.223 0.070 0.000 2.027 230 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 230 L C 2.628 179.395 176.870 -0.172 0.000 1.074 230 L CA 0.865 55.813 54.840 0.181 0.000 0.745 230 L CB -0.432 41.912 42.059 0.474 0.000 0.898 230 L HN -0.003 nan 8.230 nan 0.000 0.433 231 M N -0.499 118.754 119.600 -0.578 0.000 2.086 231 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 231 M C 2.528 178.563 176.300 -0.443 0.000 1.067 231 M CA 1.792 56.528 55.300 -0.941 0.000 1.116 231 M CB -0.257 31.482 32.600 -1.434 0.000 1.348 231 M HN 0.091 nan 8.290 nan 0.000 0.407 232 R N -0.015 120.316 120.500 -0.282 0.000 2.096 232 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 232 R C 2.060 178.308 176.300 -0.088 0.000 1.127 232 R CA 1.140 57.150 56.100 -0.151 0.000 0.968 232 R CB -0.502 29.742 30.300 -0.093 0.000 0.861 232 R HN 0.259 nan 8.270 nan 0.000 0.440 233 L N 1.132 122.343 121.223 -0.020 0.000 2.005 233 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 233 L C 2.159 179.029 176.870 0.000 0.000 1.072 233 L CA 1.963 56.858 54.840 0.091 0.000 0.744 233 L CB -0.496 41.721 42.059 0.264 0.000 0.895 233 L HN 0.167 nan 8.230 nan 0.000 0.433 234 E N -0.578 119.581 120.200 -0.069 0.000 2.118 234 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 234 E C 1.985 178.440 176.600 -0.242 0.000 0.992 234 E CA 1.578 57.881 56.400 -0.162 0.000 0.804 234 E CB -0.140 29.222 29.700 -0.564 0.000 0.741 234 E HN 0.683 nan 8.360 nan 0.000 0.458 235 E N -0.124 119.928 120.200 -0.247 0.000 2.051 235 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 235 E C 2.045 178.393 176.600 -0.420 0.000 0.991 235 E CA 1.008 57.200 56.400 -0.346 0.000 0.799 235 E CB -0.143 29.412 29.700 -0.243 0.000 0.748 235 E HN 0.403 nan 8.360 nan 0.000 0.449 236 A N 1.051 123.648 122.820 -0.372 0.000 1.930 236 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 236 A C 2.139 179.207 177.584 -0.860 0.000 1.175 236 A CA 0.925 52.666 52.037 -0.492 0.000 0.627 236 A CB -0.516 18.276 19.000 -0.347 0.000 0.815 236 A HN 0.237 nan 8.150 nan 0.000 0.443 237 L N -0.141 120.551 121.223 -0.885 0.000 1.989 237 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 237 L C 2.289 178.903 176.870 -0.427 0.000 1.071 237 L CA 1.873 56.246 54.840 -0.779 0.000 0.749 237 L CB -0.564 41.329 42.059 -0.277 0.000 0.890 237 L HN 0.390 nan 8.230 nan 0.000 0.431 238 L N -0.564 120.433 121.223 -0.376 0.000 2.046 238 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 238 L C 2.692 179.330 176.870 -0.388 0.000 1.077 238 L CA 1.282 55.899 54.840 -0.372 0.000 0.747 238 L CB -0.907 40.798 42.059 -0.589 0.000 0.896 238 L HN 0.424 nan 8.230 nan 0.000 0.432 239 A N -0.125 122.404 122.820 -0.486 0.000 1.908 239 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 239 A C 2.200 179.674 177.584 -0.184 0.000 1.181 239 A CA 2.078 53.853 52.037 -0.436 0.000 0.627 239 A CB -0.513 18.197 19.000 -0.484 0.000 0.818 239 A HN 0.459 nan 8.150 nan 0.000 0.445 240 E N -0.394 119.686 120.200 -0.200 0.000 2.031 240 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 240 E C 2.014 178.610 176.600 -0.007 0.000 0.994 240 E CA 1.679 58.038 56.400 -0.069 0.000 0.800 240 E CB -0.323 29.331 29.700 -0.077 0.000 0.752 240 E HN 0.614 nan 8.360 nan 0.000 0.447 241 M N -0.303 119.279 119.600 -0.030 0.000 2.073 241 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 241 M C 2.062 178.420 176.300 0.095 0.000 1.070 241 M CA 1.309 56.634 55.300 0.041 0.000 1.103 241 M CB -0.347 32.273 32.600 0.033 0.000 1.321 241 M HN 0.183 nan 8.290 nan 0.000 0.405 242 L N -0.017 121.265 121.223 0.099 0.000 2.083 242 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 242 L C 2.403 179.473 176.870 0.333 0.000 1.083 242 L CA 1.749 56.772 54.840 0.304 0.000 0.752 242 L CB -0.912 41.318 42.059 0.285 0.000 0.899 242 L HN 0.256 nan 8.230 nan 0.000 0.433 243 E N -0.314 120.001 120.200 0.190 0.000 2.077 243 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 243 E C 2.124 178.782 176.600 0.097 0.000 0.989 243 E CA 1.061 57.545 56.400 0.141 0.000 0.800 243 E CB 0.001 29.768 29.700 0.113 0.000 0.746 243 E HN 0.368 nan 8.360 nan 0.000 0.452 244 E N 0.033 120.291 120.200 0.097 0.000 2.051 244 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 244 E C 1.825 178.473 176.600 0.080 0.000 0.991 244 E CA 1.598 58.046 56.400 0.079 0.000 0.799 244 E CB -0.582 29.167 29.700 0.081 0.000 0.748 244 E HN 0.289 nan 8.360 nan 0.000 0.449 245 A N 0.136 123.030 122.820 0.124 0.000 1.902 245 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 245 A C 2.195 179.801 177.584 0.036 0.000 1.181 245 A CA 1.443 53.558 52.037 0.131 0.000 0.623 245 A CB -0.753 18.409 19.000 0.270 0.000 0.818 245 A HN 0.351 nan 8.150 nan 0.000 0.443 246 L N 0.279 121.489 121.223 -0.022 0.000 2.083 246 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 246 L C 1.874 178.681 176.870 -0.106 0.000 1.083 246 L CA 1.831 56.551 54.840 -0.201 0.000 0.752 246 L CB -0.616 41.284 42.059 -0.264 0.000 0.899 246 L HN 0.361 nan 8.230 nan 0.000 0.433 247 N N -1.647 117.031 118.700 -0.035 0.000 2.290 247 N HA -0.056 4.684 4.740 -0.000 0.000 0.179 247 N C 1.647 177.153 175.510 -0.007 0.000 1.016 247 N CA 1.592 54.631 53.050 -0.019 0.000 0.871 247 N CB -0.245 38.244 38.487 0.004 0.000 0.987 247 N HN 0.497 nan 8.380 nan 0.000 0.431 248 T N -3.485 111.075 114.554 0.009 0.000 3.022 248 T HA 0.473 4.823 4.350 -0.000 0.000 0.250 248 T C 0.934 175.645 174.700 0.018 0.000 1.060 248 T CA 0.105 62.216 62.100 0.018 0.000 1.013 248 T CB 0.385 69.272 68.868 0.032 0.000 0.982 248 T HN 0.079 nan 8.240 nan 0.000 0.508 249 A N 0.435 123.263 122.820 0.013 0.000 2.610 249 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 249 A C 1.762 179.340 177.584 -0.010 0.000 1.001 249 A CA 0.073 52.121 52.037 0.018 0.000 1.004 249 A CB -0.429 18.601 19.000 0.050 0.000 1.220 249 A HN 0.407 nan 8.150 nan 0.000 0.507 250 G N 0.629 109.405 108.800 -0.040 0.000 2.459 250 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.217 250 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.217 250 G C 0.986 175.858 174.900 -0.046 0.000 1.183 250 G CA 1.460 46.515 45.100 -0.076 0.000 0.776 250 G HN 0.449 nan 8.290 nan 0.000 0.552 251 D N 0.727 121.114 120.400 -0.022 0.000 2.123 251 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 251 D C 2.461 178.764 176.300 0.005 0.000 0.992 251 D CA 1.219 55.214 54.000 -0.009 0.000 0.833 251 D CB -0.216 40.582 40.800 -0.003 0.000 0.954 251 D HN 0.304 nan 8.370 nan 0.000 0.455 252 E N 0.424 120.633 120.200 0.016 0.000 2.051 252 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 252 E C 2.318 178.949 176.600 0.052 0.000 0.991 252 E CA 0.356 56.778 56.400 0.036 0.000 0.799 252 E CB -0.224 29.504 29.700 0.048 0.000 0.748 252 E HN 0.330 nan 8.360 nan 0.000 0.449 253 I N 0.422 121.019 120.570 0.046 0.000 2.179 253 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 253 I C 2.366 178.516 176.117 0.055 0.000 1.088 253 I CA 1.269 62.614 61.300 0.075 0.000 1.357 253 I CB -0.202 37.793 38.000 -0.008 0.000 1.051 253 I HN 0.039 nan 8.210 nan 0.000 0.409 254 R N 0.147 120.653 120.500 0.010 0.000 2.092 254 R HA -0.174 4.166 4.340 -0.000 0.000 0.231 254 R C 2.311 178.627 176.300 0.027 0.000 1.119 254 R CA 1.247 57.354 56.100 0.012 0.000 0.970 254 R CB -0.523 29.771 30.300 -0.010 0.000 0.864 254 R HN 0.252 nan 8.270 nan 0.000 0.440 255 L N 1.161 122.401 121.223 0.027 0.000 2.042 255 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 255 L C 1.757 178.653 176.870 0.043 0.000 1.076 255 L CA 1.745 56.604 54.840 0.031 0.000 0.749 255 L CB -0.240 41.836 42.059 0.028 0.000 0.893 255 L HN 0.120 nan 8.230 nan 0.000 0.432 256 L N -0.168 121.089 121.223 0.056 0.000 2.610 256 L HA 0.159 4.499 4.340 -0.000 0.000 0.232 256 L C 1.638 178.545 176.870 0.061 0.000 1.149 256 L CA 0.506 55.385 54.840 0.064 0.000 0.872 256 L CB -1.049 41.059 42.059 0.082 0.000 0.992 256 L HN 0.567 nan 8.230 nan 0.000 0.447 257 G N 0.710 109.546 108.800 0.059 0.000 2.233 257 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.270 257 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.270 257 G C 0.498 175.443 174.900 0.075 0.000 1.011 257 G CA 0.282 45.416 45.100 0.057 0.000 0.762 257 G HN 0.556 nan 8.290 nan 0.000 0.511 258 A N 0.385 123.271 122.820 0.109 0.000 2.511 258 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 258 A C 1.089 178.785 177.584 0.186 0.000 1.069 258 A CA 1.040 53.159 52.037 0.136 0.000 0.763 258 A CB 0.179 19.291 19.000 0.187 0.000 1.001 258 A HN 1.758 nan 8.150 nan 0.000 0.498 259 T N 1.068 115.705 114.554 0.137 0.000 2.832 259 T HA 0.286 4.636 4.350 -0.000 0.000 0.296 259 T C 0.025 174.876 174.700 0.252 0.000 0.968 259 T CA -0.434 61.764 62.100 0.163 0.000 1.107 259 T CB 0.468 69.381 68.868 0.076 0.000 0.916 259 T HN 0.602 nan 8.240 nan 0.000 0.517 260 W N 3.919 125.252 121.300 0.055 0.000 2.190 260 W HA 0.246 4.906 4.660 -0.000 0.000 0.330 260 W C -2.085 174.502 176.519 0.112 0.000 1.299 260 W CA -1.905 55.496 57.345 0.095 0.000 1.215 260 W CB 0.717 30.240 29.460 0.105 0.000 1.147 260 W HN 0.594 nan 8.180 nan 0.000 0.563 261 P HA -0.000 nan 4.420 nan 0.000 0.274 261 P C -0.669 176.735 177.300 0.174 0.000 1.260 261 P CA -0.133 62.942 63.100 -0.041 0.000 0.793 261 P CB 0.483 32.157 31.700 -0.043 0.000 1.048 262 S N -0.375 115.482 115.700 0.261 0.000 2.592 262 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 262 S C -0.098 174.779 174.600 0.462 0.000 1.326 262 S CA -0.607 57.799 58.200 0.344 0.000 1.024 262 S CB -0.119 63.259 63.200 0.296 0.000 0.921 262 S HN 0.272 nan 8.310 nan 0.000 0.527 263 F N 2.658 122.730 119.950 0.204 0.000 2.602 263 F HA 0.275 4.802 4.527 -0.000 0.000 0.385 263 F C -2.079 173.683 175.800 -0.063 0.000 1.063 263 F CA -1.792 56.263 58.000 0.092 0.000 1.233 263 F CB 0.210 39.243 39.000 0.056 0.000 1.067 263 F HN 0.422 nan 8.300 nan 0.000 0.564 264 P HA 0.002 nan 4.420 nan 0.000 0.231 264 P C -1.351 175.539 177.300 -0.684 0.000 1.756 264 P CA 0.303 62.756 63.100 -1.078 0.000 0.990 264 P CB -0.131 30.691 31.700 -1.464 0.000 1.973 265 Q N 0.886 120.526 119.800 -0.267 0.000 2.347 265 Q HA 0.289 4.629 4.340 -0.000 0.000 0.271 265 Q C -0.747 175.237 176.000 -0.026 0.000 1.064 265 Q CA -0.621 55.146 55.803 -0.060 0.000 0.800 265 Q CB 1.071 29.963 28.738 0.257 0.000 1.304 265 Q HN -0.048 nan 8.270 nan 0.000 0.438 266 D N 2.474 122.849 120.400 -0.042 0.000 2.689 266 D HA -0.192 4.448 4.640 -0.000 0.000 0.237 266 D C -0.554 175.707 176.300 -0.065 0.000 1.148 266 D CA 0.983 54.959 54.000 -0.041 0.000 0.656 266 D CB -1.048 39.744 40.800 -0.014 0.000 1.050 266 D HN 0.569 nan 8.370 nan 0.000 0.426 267 I N 0.344 120.876 120.570 -0.063 0.000 2.710 267 I HA 0.010 4.180 4.170 -0.000 0.000 0.286 267 I C -1.530 174.535 176.117 -0.087 0.000 1.181 267 I CA -1.225 60.035 61.300 -0.066 0.000 1.430 267 I CB 0.181 38.127 38.000 -0.090 0.000 1.367 267 I HN -0.218 nan 8.210 nan 0.000 0.577 268 P HA 0.030 nan 4.420 nan 0.000 0.260 268 P C -0.826 176.330 177.300 -0.240 0.000 1.185 268 P CA 0.149 62.919 63.100 -0.550 0.000 0.763 268 P CB 0.327 31.320 31.700 -1.180 0.000 0.776 269 R N 3.090 123.486 120.500 -0.173 0.000 2.428 269 R HA 0.662 5.002 4.340 -0.000 0.000 0.294 269 R C -0.620 175.683 176.300 0.006 0.000 1.000 269 R CA -0.885 55.206 56.100 -0.015 0.000 0.960 269 R CB 0.928 31.203 30.300 -0.041 0.000 1.076 269 R HN 0.364 nan 8.270 nan 0.000 0.475 270 L N 0.874 122.149 121.223 0.087 0.000 2.580 270 L HA 0.213 4.553 4.340 -0.000 0.000 0.266 270 L C -0.696 176.234 176.870 0.100 0.000 0.955 270 L CA -0.038 54.867 54.840 0.108 0.000 0.886 270 L CB 2.213 44.366 42.059 0.156 0.000 1.263 270 L HN 0.578 nan 8.230 nan 0.000 0.406 271 T N 2.901 117.499 114.554 0.074 0.000 2.940 271 T HA 0.014 4.364 4.350 -0.000 0.000 0.309 271 T C 1.298 176.006 174.700 0.013 0.000 1.056 271 T CA 0.318 62.455 62.100 0.060 0.000 1.137 271 T CB 0.298 69.197 68.868 0.052 0.000 0.976 271 T HN 0.631 nan 8.240 nan 0.000 0.547 272 H N 1.775 120.756 119.070 -0.148 0.000 2.518 272 H HA -0.089 4.467 4.556 -0.000 0.000 0.292 272 H C 1.842 177.072 175.328 -0.162 0.000 1.068 272 H CA 1.482 57.356 56.048 -0.291 0.000 1.275 272 H CB 0.050 29.429 29.762 -0.638 0.000 1.375 272 H HN 0.690 nan 8.280 nan 0.000 0.563 273 A N 0.781 123.574 122.820 -0.044 0.000 1.911 273 A HA -0.036 4.284 4.320 -0.000 0.000 0.212 273 A C 2.310 179.846 177.584 -0.081 0.000 1.189 273 A CA 0.760 52.767 52.037 -0.051 0.000 0.639 273 A CB -0.094 18.919 19.000 0.022 0.000 0.839 273 A HN 0.518 nan 8.150 nan 0.000 0.449 274 E N 0.151 120.323 120.200 -0.046 0.000 2.152 274 E HA -0.014 4.336 4.350 -0.000 0.000 0.192 274 E C 2.071 178.623 176.600 -0.080 0.000 0.983 274 E CA 0.859 57.239 56.400 -0.033 0.000 0.818 274 E CB -0.200 29.513 29.700 0.021 0.000 0.758 274 E HN 0.588 nan 8.360 nan 0.000 0.467 275 A N 1.442 124.194 122.820 -0.114 0.000 1.975 275 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 275 A C 2.023 179.485 177.584 -0.203 0.000 1.170 275 A CA 0.946 52.889 52.037 -0.156 0.000 0.656 275 A CB -0.173 18.756 19.000 -0.118 0.000 0.821 275 A HN 0.023 nan 8.150 nan 0.000 0.449 276 K N 0.410 120.655 120.400 -0.259 0.000 2.211 276 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 276 K C 2.163 178.679 176.600 -0.140 0.000 1.050 276 K CA 1.505 57.644 56.287 -0.247 0.000 0.945 276 K CB -0.092 32.204 32.500 -0.340 0.000 0.732 276 K HN 0.648 nan 8.250 nan 0.000 0.451 277 R N -0.216 120.211 120.500 -0.122 0.000 2.140 277 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 277 R C 2.054 178.295 176.300 -0.098 0.000 1.059 277 R CA 0.804 56.852 56.100 -0.086 0.000 1.000 277 R CB -0.519 29.743 30.300 -0.063 0.000 0.910 277 R HN 0.100 nan 8.270 nan 0.000 0.455 278 I N 1.674 122.153 120.570 -0.151 0.000 2.335 278 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 278 I C 2.134 178.144 176.117 -0.177 0.000 1.129 278 I CA 1.303 62.468 61.300 -0.225 0.000 1.402 278 I CB -0.205 37.516 38.000 -0.465 0.000 1.069 278 I HN 0.164 nan 8.210 nan 0.000 0.424 279 L N 0.403 121.549 121.223 -0.128 0.000 2.156 279 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 279 L C 2.573 179.448 176.870 0.008 0.000 1.095 279 L CA 1.279 56.096 54.840 -0.039 0.000 0.770 279 L CB -0.400 41.673 42.059 0.024 0.000 0.914 279 L HN 0.238 nan 8.230 nan 0.000 0.439 280 K N 0.392 120.780 120.400 -0.021 0.000 2.063 280 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 280 K C 1.758 178.345 176.600 -0.021 0.000 1.039 280 K CA 0.755 57.031 56.287 -0.018 0.000 0.957 280 K CB 0.136 32.617 32.500 -0.032 0.000 0.764 280 K HN 0.182 nan 8.250 nan 0.000 0.447 281 E N 0.038 120.219 120.200 -0.032 0.000 2.427 281 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 281 E C 0.950 177.539 176.600 -0.019 0.000 1.028 281 E CA 0.746 57.131 56.400 -0.025 0.000 0.864 281 E CB 0.426 30.110 29.700 -0.026 0.000 0.813 281 E HN 0.416 nan 8.360 nan 0.000 0.514 282 E N -0.731 119.453 120.200 -0.027 0.000 2.505 282 E HA 0.114 4.464 4.350 -0.000 0.000 0.212 282 E C 1.669 178.270 176.600 0.002 0.000 0.825 282 E CA 0.035 56.429 56.400 -0.010 0.000 1.333 282 E CB 0.555 30.248 29.700 -0.012 0.000 1.319 282 E HN 0.093 nan 8.360 nan 0.000 0.658 283 L N -0.298 120.921 121.223 -0.007 0.000 2.470 283 L HA 0.326 4.666 4.340 -0.000 0.000 0.219 283 L C 1.167 178.061 176.870 0.040 0.000 1.071 283 L CA 0.539 55.389 54.840 0.017 0.000 0.850 283 L CB 0.436 42.497 42.059 0.004 0.000 1.040 283 L HN 0.245 nan 8.230 nan 0.000 0.475 284 G N 0.431 109.254 108.800 0.038 0.000 2.248 284 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.263 284 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.263 284 G C -0.406 174.544 174.900 0.084 0.000 1.082 284 G CA -0.073 45.051 45.100 0.040 0.000 0.863 284 G HN 0.307 nan 8.290 nan 0.000 0.495 285 Y N 0.292 120.571 120.300 -0.034 0.000 2.341 285 Y HA 0.608 5.158 4.550 -0.000 0.000 0.338 285 Y C -2.353 173.528 175.900 -0.032 0.000 0.965 285 Y CA -2.928 55.154 58.100 -0.030 0.000 1.108 285 Y CB 2.055 40.496 38.460 -0.031 0.000 1.180 285 Y HN 0.016 nan 8.280 nan 0.000 0.458 286 P HA -0.040 nan 4.420 nan 0.000 0.245 286 P C -0.620 176.396 177.300 -0.473 0.000 1.670 286 P CA 0.313 63.134 63.100 -0.465 0.000 1.146 286 P CB -0.254 31.197 31.700 -0.414 0.000 1.954 287 V N 2.888 122.695 119.914 -0.178 0.000 2.485 287 V HA 0.322 4.442 4.120 -0.000 0.000 0.287 287 V C 0.931 177.010 176.094 -0.025 0.000 1.022 287 V CA 0.700 63.005 62.300 0.010 0.000 1.067 287 V CB 0.212 32.071 31.823 0.060 0.000 0.967 287 V HN 0.546 nan 8.190 nan 0.000 0.479 288 G N 4.718 113.525 108.800 0.013 0.000 2.882 288 G HA2 0.248 4.208 3.960 -0.000 0.000 0.164 288 G HA3 0.248 4.208 3.960 -0.000 0.000 0.164 288 G C 0.389 175.323 174.900 0.056 0.000 1.429 288 G CA 0.333 45.442 45.100 0.015 0.000 1.059 288 G HN 0.677 nan 8.290 nan 0.000 0.581 289 Q N -0.388 119.448 119.800 0.060 0.000 2.047 289 Q HA -0.012 4.328 4.340 -0.000 0.000 0.211 289 Q C 0.255 176.336 176.000 0.135 0.000 1.005 289 Q CA 1.986 57.835 55.803 0.077 0.000 0.866 289 Q CB -0.095 28.678 28.738 0.058 0.000 0.938 289 Q HN 0.533 nan 8.270 nan 0.000 0.414 290 D N -2.205 118.289 120.400 0.157 0.000 2.756 290 D HA 0.286 4.926 4.640 -0.000 0.000 0.226 290 D C -1.129 175.307 176.300 0.226 0.000 1.186 290 D CA -0.614 53.535 54.000 0.248 0.000 0.845 290 D CB 1.055 41.975 40.800 0.199 0.000 1.610 290 D HN -0.000 nan 8.370 nan 0.000 0.465 291 L N 1.714 123.098 121.223 0.268 0.000 2.640 291 L HA 0.051 4.390 4.340 -0.000 0.000 0.300 291 L C 0.860 177.825 176.870 0.157 0.000 1.259 291 L CA 0.488 55.436 54.840 0.180 0.000 0.879 291 L CB -0.105 42.066 42.059 0.187 0.000 1.125 291 L HN 0.489 nan 8.230 nan 0.000 0.507 292 S N 0.859 116.635 115.700 0.125 0.000 2.786 292 S HA 0.242 4.711 4.470 -0.000 0.000 0.307 292 S C 0.692 175.309 174.600 0.029 0.000 1.121 292 S CA -0.707 57.551 58.200 0.097 0.000 0.975 292 S CB 1.740 65.032 63.200 0.153 0.000 1.220 292 S HN 0.703 nan 8.310 nan 0.000 0.550 293 E N 0.304 120.512 120.200 0.014 0.000 2.051 293 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 293 E C 1.743 178.294 176.600 -0.082 0.000 0.991 293 E CA 1.584 57.971 56.400 -0.022 0.000 0.799 293 E CB -0.205 29.485 29.700 -0.016 0.000 0.748 293 E HN 0.739 nan 8.360 nan 0.000 0.449 294 E N 0.324 120.449 120.200 -0.125 0.000 2.107 294 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 294 E C 1.675 177.997 176.600 -0.462 0.000 0.982 294 E CA 1.313 57.551 56.400 -0.269 0.000 0.809 294 E CB -0.272 29.257 29.700 -0.285 0.000 0.756 294 E HN 0.325 nan 8.360 nan 0.000 0.459 295 A N 0.676 123.216 122.820 -0.468 0.000 1.902 295 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 295 A C 2.055 179.528 177.584 -0.185 0.000 1.181 295 A CA 1.810 53.606 52.037 -0.401 0.000 0.623 295 A CB -0.584 18.384 19.000 -0.054 0.000 0.818 295 A HN 0.361 nan 8.150 nan 0.000 0.443 296 E N -0.988 119.154 120.200 -0.096 0.000 2.107 296 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 296 E C 2.292 178.857 176.600 -0.058 0.000 0.982 296 E CA 0.700 57.080 56.400 -0.032 0.000 0.809 296 E CB -0.127 29.582 29.700 0.015 0.000 0.756 296 E HN 0.521 nan 8.360 nan 0.000 0.459 297 R N 0.428 120.866 120.500 -0.103 0.000 2.096 297 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 297 R C 1.971 178.212 176.300 -0.100 0.000 1.127 297 R CA 0.877 56.913 56.100 -0.106 0.000 0.968 297 R CB -0.035 30.191 30.300 -0.124 0.000 0.861 297 R HN 0.109 nan 8.270 nan 0.000 0.440 298 L N 0.578 121.720 121.223 -0.135 0.000 2.141 298 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 298 L C 2.137 178.996 176.870 -0.018 0.000 1.094 298 L CA 1.369 56.149 54.840 -0.099 0.000 0.763 298 L CB -0.427 41.532 42.059 -0.166 0.000 0.908 298 L HN 0.197 nan 8.230 nan 0.000 0.437 299 L N -1.379 119.834 121.223 -0.017 0.000 2.141 299 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 299 L C 2.502 179.457 176.870 0.142 0.000 1.094 299 L CA 1.109 55.989 54.840 0.068 0.000 0.763 299 L CB -1.123 40.961 42.059 0.042 0.000 0.908 299 L HN 0.381 nan 8.230 nan 0.000 0.437 300 G N -0.473 108.357 108.800 0.051 0.000 2.459 300 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 300 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 300 G C 1.458 176.374 174.900 0.027 0.000 1.183 300 G CA 0.420 45.532 45.100 0.020 0.000 0.776 300 G HN 0.256 nan 8.290 nan 0.000 0.552 301 E N -0.148 120.058 120.200 0.009 0.000 2.085 301 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 301 E C 2.019 178.639 176.600 0.033 0.000 0.994 301 E CA 1.024 57.423 56.400 -0.003 0.000 0.801 301 E CB -0.447 29.245 29.700 -0.013 0.000 0.743 301 E HN 0.572 nan 8.360 nan 0.000 0.453 302 Y N 1.477 121.760 120.300 -0.030 0.000 2.053 302 Y HA -0.315 4.234 4.550 -0.000 0.000 0.277 302 Y C 2.357 178.241 175.900 -0.027 0.000 1.159 302 Y CA 2.221 60.300 58.100 -0.036 0.000 1.125 302 Y CB -0.649 37.806 38.460 -0.009 0.000 0.969 302 Y HN 0.018 nan 8.280 nan 0.000 0.492 303 A N 0.068 122.981 122.820 0.156 0.000 1.908 303 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 303 A C 2.171 179.838 177.584 0.138 0.000 1.181 303 A CA 2.104 54.320 52.037 0.299 0.000 0.627 303 A CB -0.799 18.505 19.000 0.507 0.000 0.818 303 A HN 0.451 nan 8.150 nan 0.000 0.445 304 K N 0.130 120.558 120.400 0.047 0.000 2.103 304 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 304 K C 1.830 178.396 176.600 -0.056 0.000 1.048 304 K CA 2.041 58.329 56.287 0.002 0.000 0.930 304 K CB -0.189 32.285 32.500 -0.043 0.000 0.716 304 K HN 0.437 nan 8.250 nan 0.000 0.444 305 E N -0.087 120.027 120.200 -0.144 0.000 2.122 305 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 305 E C 2.024 178.438 176.600 -0.310 0.000 0.977 305 E CA 0.948 57.232 56.400 -0.194 0.000 0.820 305 E CB -0.086 29.497 29.700 -0.195 0.000 0.770 305 E HN 0.317 nan 8.360 nan 0.000 0.462 306 R N -0.860 119.312 120.500 -0.546 0.000 2.057 306 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 306 R C 1.272 177.162 176.300 -0.684 0.000 1.136 306 R CA 1.832 57.409 56.100 -0.872 0.000 0.952 306 R CB -0.226 29.042 30.300 -1.720 0.000 0.848 306 R HN 0.260 nan 8.270 nan 0.000 0.430 307 W N -0.562 120.675 121.300 -0.106 0.000 3.008 307 W HA 0.398 5.058 4.660 -0.000 0.000 0.355 307 W C 0.443 176.956 176.519 -0.010 0.000 1.095 307 W CA 0.238 57.561 57.345 -0.036 0.000 1.738 307 W CB 0.368 29.827 29.460 -0.001 0.000 1.091 307 W HN 0.485 nan 8.180 nan 0.000 0.574 308 G N 2.140 111.030 108.800 0.150 0.000 2.246 308 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.273 308 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.273 308 G C -0.094 174.900 174.900 0.157 0.000 1.055 308 G CA 0.754 45.918 45.100 0.107 0.000 0.851 308 G HN 0.164 nan 8.290 nan 0.000 0.500 309 S N -0.938 114.883 115.700 0.203 0.000 2.473 309 S HA 0.561 5.031 4.470 -0.000 0.000 0.307 309 S C 0.876 175.547 174.600 0.118 0.000 1.094 309 S CA -0.254 58.077 58.200 0.219 0.000 1.070 309 S CB 1.208 64.565 63.200 0.262 0.000 1.019 309 S HN 0.175 nan 8.310 nan 0.000 0.480 310 D N 2.784 123.196 120.400 0.020 0.000 2.347 310 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 310 D C -0.529 175.533 176.300 -0.396 0.000 0.985 310 D CA 0.652 54.466 54.000 -0.310 0.000 0.879 310 D CB 0.268 40.751 40.800 -0.529 0.000 0.919 310 D HN 0.531 nan 8.370 nan 0.000 0.526 311 W N 0.719 122.041 121.300 0.038 0.000 2.639 311 W HA 0.565 5.225 4.660 0.000 0.000 0.347 311 W C -0.471 175.994 176.519 -0.091 0.000 1.067 311 W CA -0.959 56.364 57.345 -0.036 0.000 1.218 311 W CB 1.064 30.428 29.460 -0.160 0.000 1.393 311 W HN -0.332 nan 8.180 nan 0.000 0.557 312 L N 2.685 123.956 121.223 0.080 0.000 2.580 312 L HA 0.537 4.876 4.340 -0.000 0.000 0.266 312 L C -1.930 174.946 176.870 0.010 0.000 0.955 312 L CA -0.914 53.951 54.840 0.042 0.000 0.886 312 L CB 0.636 42.775 42.059 0.134 0.000 1.263 312 L HN 0.278 nan 8.230 nan 0.000 0.406 313 F N 4.763 124.745 119.950 0.053 0.000 2.411 313 F HA 0.518 5.045 4.527 -0.000 0.000 0.355 313 F C 0.246 176.116 175.800 0.117 0.000 1.117 313 F CA -0.348 57.691 58.000 0.065 0.000 1.139 313 F CB 1.607 40.572 39.000 -0.058 0.000 1.120 313 F HN 0.167 nan 8.300 nan 0.000 0.493 314 V N 4.020 124.208 119.914 0.457 0.000 2.318 314 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 314 V C 0.175 176.569 176.094 0.500 0.000 1.030 314 V CA -0.643 61.889 62.300 0.386 0.000 0.844 314 V CB 0.849 32.914 31.823 0.403 0.000 1.015 314 V HN 0.859 nan 8.190 nan 0.000 0.460 315 T N 2.177 116.924 114.554 0.322 0.000 2.936 315 T HA 0.624 4.973 4.350 -0.000 0.000 0.282 315 T C 0.114 174.970 174.700 0.260 0.000 1.003 315 T CA -0.823 61.466 62.100 0.315 0.000 1.005 315 T CB 1.070 70.037 68.868 0.165 0.000 1.097 315 T HN 0.478 nan 8.240 nan 0.000 0.532 316 R N 0.580 121.241 120.500 0.268 0.000 2.728 316 R HA -0.142 4.198 4.340 -0.000 0.000 0.283 316 R C -1.425 174.969 176.300 0.156 0.000 0.956 316 R CA 0.254 56.471 56.100 0.195 0.000 0.785 316 R CB -2.407 27.964 30.300 0.118 0.000 2.035 316 R HN 0.766 nan 8.270 nan 0.000 0.510 317 Y N 2.213 122.514 120.300 0.001 0.000 2.335 317 Y HA 0.344 4.894 4.550 -0.000 0.000 0.323 317 Y C -1.402 174.406 175.900 -0.153 0.000 1.224 317 Y CA -2.364 55.638 58.100 -0.164 0.000 1.241 317 Y CB 0.850 39.212 38.460 -0.163 0.000 1.235 317 Y HN 0.253 nan 8.280 nan 0.000 0.492 318 P HA 0.127 nan 4.420 nan 0.000 0.268 318 P C 0.290 177.579 177.300 -0.019 0.000 1.204 318 P CA 0.119 63.186 63.100 -0.055 0.000 0.768 318 P CB 0.665 32.315 31.700 -0.084 0.000 0.842 319 R N 1.798 122.290 120.500 -0.014 0.000 2.154 319 R HA -0.164 4.175 4.340 -0.000 0.000 0.248 319 R C 1.982 178.259 176.300 -0.038 0.000 1.155 319 R CA 2.171 58.255 56.100 -0.027 0.000 0.979 319 R CB -0.738 29.543 30.300 -0.033 0.000 0.869 319 R HN 0.602 nan 8.270 nan 0.000 0.452 320 S N -0.183 115.500 115.700 -0.029 0.000 2.474 320 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 320 S C 1.925 176.510 174.600 -0.025 0.000 0.997 320 S CA 0.951 59.135 58.200 -0.027 0.000 0.949 320 S CB -0.027 63.163 63.200 -0.016 0.000 0.766 320 S HN 0.066 nan 8.310 nan 0.000 0.517 321 V N 0.880 120.781 119.914 -0.023 0.000 2.685 321 V HA 0.203 4.323 4.120 -0.000 0.000 0.244 321 V C 1.193 177.260 176.094 -0.046 0.000 1.054 321 V CA 0.606 62.901 62.300 -0.009 0.000 1.076 321 V CB -0.442 31.401 31.823 0.034 0.000 0.725 321 V HN 0.320 nan 8.190 nan 0.000 0.467 322 R N 0.457 120.914 120.500 -0.072 0.000 2.500 322 R HA 0.425 4.765 4.340 -0.000 0.000 0.277 322 R C -2.418 173.756 176.300 -0.209 0.000 1.026 322 R CA -2.757 53.259 56.100 -0.139 0.000 1.058 322 R CB -0.235 29.990 30.300 -0.124 0.000 1.078 322 R HN 0.130 nan 8.270 nan 0.000 0.509 323 P HA -0.050 nan 4.420 nan 0.000 0.271 323 P C 0.650 177.608 177.300 -0.569 0.000 1.233 323 P CA 0.101 62.838 63.100 -0.605 0.000 0.795 323 P CB 0.197 31.101 31.700 -1.327 0.000 0.936 324 F N -0.297 119.349 119.950 -0.506 0.000 2.502 324 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 324 F C 1.433 177.083 175.800 -0.249 0.000 1.111 324 F CA 0.501 58.295 58.000 -0.343 0.000 1.445 324 F CB -1.401 37.393 39.000 -0.343 0.000 1.081 324 F HN 0.266 nan 8.300 nan 0.000 0.558 325 Y N 0.119 119.862 120.300 -0.929 0.000 2.490 325 Y HA 0.389 4.939 4.550 -0.000 0.000 0.281 325 Y C 0.239 175.992 175.900 -0.246 0.000 1.174 325 Y CA -1.445 56.286 58.100 -0.614 0.000 1.295 325 Y CB -2.006 36.076 38.460 -0.630 0.000 1.062 325 Y HN -0.113 nan 8.280 nan 0.000 0.522 326 T N 2.168 116.679 114.554 -0.073 0.000 2.779 326 T HA -0.004 4.346 4.350 -0.000 0.000 0.296 326 T C -0.729 174.001 174.700 0.050 0.000 0.938 326 T CA -0.349 61.780 62.100 0.049 0.000 1.119 326 T CB -0.109 68.734 68.868 -0.042 0.000 0.891 326 T HN 0.317 nan 8.240 nan 0.000 0.526 327 Y N 6.154 126.460 120.300 0.010 0.000 2.815 327 Y HA 0.096 4.646 4.550 -0.000 0.000 0.346 327 Y C -2.139 173.763 175.900 0.003 0.000 1.267 327 Y CA -1.620 56.484 58.100 0.007 0.000 1.604 327 Y CB 0.087 38.565 38.460 0.029 0.000 1.218 327 Y HN 0.475 nan 8.280 nan 0.000 0.527 328 P HA 0.087 nan 4.420 nan 0.000 0.272 328 P C -1.118 176.181 177.300 -0.001 0.000 1.223 328 P CA -0.122 62.917 63.100 -0.101 0.000 0.784 328 P CB 0.884 32.478 31.700 -0.176 0.000 0.923 329 E N 0.862 121.091 120.200 0.048 0.000 2.244 329 E HA 0.261 4.611 4.350 -0.000 0.000 0.266 329 E C -0.789 175.833 176.600 0.036 0.000 0.914 329 E CA -0.636 55.814 56.400 0.084 0.000 0.794 329 E CB 0.855 30.614 29.700 0.098 0.000 1.210 329 E HN 0.094 nan 8.360 nan 0.000 0.414 330 E N 2.666 122.890 120.200 0.039 0.000 2.028 330 E HA 0.166 4.516 4.350 -0.000 0.000 0.275 330 E C -1.104 175.509 176.600 0.022 0.000 1.171 330 E CA 0.097 56.509 56.400 0.019 0.000 1.186 330 E CB -0.285 29.426 29.700 0.018 0.000 1.256 330 E HN 0.523 nan 8.360 nan 0.000 0.474 331 D N 1.118 121.530 120.400 0.021 0.000 2.811 331 D HA 0.062 4.702 4.640 -0.000 0.000 0.370 331 D C 1.042 177.354 176.300 0.020 0.000 1.412 331 D CA 0.346 54.359 54.000 0.022 0.000 0.964 331 D CB -0.653 40.165 40.800 0.030 0.000 1.637 331 D HN 0.398 nan 8.370 nan 0.000 0.377 332 G N 0.520 109.328 108.800 0.013 0.000 2.268 332 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.240 332 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.240 332 G C 0.711 175.619 174.900 0.014 0.000 1.010 332 G CA 0.962 46.067 45.100 0.008 0.000 0.618 332 G HN 0.976 nan 8.290 nan 0.000 0.516 333 T N -0.966 113.607 114.554 0.031 0.000 2.833 333 T HA 0.700 5.050 4.350 -0.000 0.000 0.312 333 T C 0.470 175.205 174.700 0.059 0.000 1.085 333 T CA 1.081 63.209 62.100 0.048 0.000 0.955 333 T CB 1.501 70.410 68.868 0.068 0.000 1.353 333 T HN 1.589 nan 8.240 nan 0.000 0.544 334 T N -2.544 112.066 114.554 0.093 0.000 2.843 334 T HA 0.498 4.848 4.350 -0.000 0.000 0.302 334 T C -0.363 174.427 174.700 0.149 0.000 1.232 334 T CA -1.189 60.977 62.100 0.110 0.000 1.009 334 T CB 1.423 70.335 68.868 0.074 0.000 1.254 334 T HN 0.565 nan 8.240 nan 0.000 0.504 335 R N 1.471 122.078 120.500 0.177 0.000 4.609 335 R HA 0.359 4.699 4.340 -0.000 0.000 0.235 335 R C 0.418 176.812 176.300 0.157 0.000 1.836 335 R CA -0.312 55.887 56.100 0.166 0.000 1.564 335 R CB -0.365 30.020 30.300 0.142 0.000 1.382 335 R HN 0.762 nan 8.270 nan 0.000 0.776 336 S N 0.146 115.931 115.700 0.142 0.000 2.704 336 S HA 0.781 5.251 4.470 -0.000 0.000 0.305 336 S C -0.365 174.334 174.600 0.166 0.000 1.107 336 S CA -0.854 57.363 58.200 0.028 0.000 0.993 336 S CB 1.458 64.613 63.200 -0.076 0.000 1.110 336 S HN 0.294 nan 8.310 nan 0.000 0.534 337 F N -1.777 118.194 119.950 0.035 0.000 2.693 337 F HA 0.819 5.346 4.527 -0.000 0.000 0.309 337 F C -2.005 173.853 175.800 0.096 0.000 1.129 337 F CA -1.023 57.048 58.000 0.117 0.000 0.948 337 F CB 0.837 39.861 39.000 0.039 0.000 1.315 337 F HN 0.448 nan 8.300 nan 0.000 0.447 338 D N 1.860 122.554 120.400 0.490 0.000 2.780 338 D HA 0.523 5.163 4.640 -0.000 0.000 0.242 338 D C -1.665 174.929 176.300 0.490 0.000 1.135 338 D CA -0.240 53.972 54.000 0.353 0.000 0.859 338 D CB 2.623 43.560 40.800 0.230 0.000 1.530 338 D HN 0.744 nan 8.370 nan 0.000 0.493 339 L N 2.702 124.133 121.223 0.348 0.000 2.282 339 L HA 0.509 4.849 4.340 -0.000 0.000 0.288 339 L C -1.490 175.444 176.870 0.108 0.000 1.033 339 L CA -0.315 54.591 54.840 0.110 0.000 0.807 339 L CB 0.800 42.843 42.059 -0.026 0.000 1.209 339 L HN 0.339 nan 8.230 nan 0.000 0.423 340 L N 5.785 127.054 121.223 0.077 0.000 2.287 340 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 340 L C -1.089 175.841 176.870 0.102 0.000 1.022 340 L CA -0.429 54.465 54.840 0.090 0.000 0.814 340 L CB 1.320 43.427 42.059 0.079 0.000 1.217 340 L HN 0.556 nan 8.230 nan 0.000 0.420 341 F N 4.225 124.090 119.950 -0.142 0.000 2.403 341 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 341 F C 0.818 176.408 175.800 -0.349 0.000 1.119 341 F CA -1.118 56.662 58.000 -0.366 0.000 1.007 341 F CB 0.475 39.236 39.000 -0.399 0.000 1.194 341 F HN 0.485 nan 8.300 nan 0.000 0.443 342 R N 4.116 124.178 120.500 -0.730 0.000 3.516 342 R HA -0.220 4.119 4.340 -0.000 0.000 0.271 342 R C 1.068 177.145 176.300 -0.372 0.000 1.098 342 R CA 0.953 56.658 56.100 -0.658 0.000 0.732 342 R CB -1.708 27.987 30.300 -1.008 0.000 1.152 342 R HN 1.381 nan 8.270 nan 0.000 0.455 343 G N -1.387 107.281 108.800 -0.221 0.000 2.217 343 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 343 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 343 G C -0.199 174.643 174.900 -0.097 0.000 0.990 343 G CA 0.096 45.115 45.100 -0.135 0.000 0.627 343 G HN 0.254 nan 8.290 nan 0.000 0.522 344 L N 1.278 122.441 121.223 -0.100 0.000 2.334 344 L HA 0.723 5.063 4.340 -0.000 0.000 0.276 344 L C 0.250 177.136 176.870 0.027 0.000 1.014 344 L CA -1.225 53.591 54.840 -0.040 0.000 0.815 344 L CB 1.624 43.651 42.059 -0.053 0.000 1.268 344 L HN 0.173 nan 8.230 nan 0.000 0.428 345 E N 5.106 125.329 120.200 0.039 0.000 2.166 345 E HA 0.090 4.440 4.350 -0.000 0.000 0.279 345 E C 0.361 177.008 176.600 0.080 0.000 1.095 345 E CA 0.016 56.461 56.400 0.074 0.000 0.888 345 E CB 0.476 30.218 29.700 0.069 0.000 1.041 345 E HN 0.725 nan 8.360 nan 0.000 0.414 346 I N 1.183 121.824 120.570 0.118 0.000 4.082 346 I HA 0.284 4.454 4.170 -0.000 0.000 0.337 346 I C -0.304 175.903 176.117 0.150 0.000 1.352 346 I CA -0.338 61.037 61.300 0.125 0.000 1.097 346 I CB 0.838 38.922 38.000 0.140 0.000 1.048 346 I HN 0.097 nan 8.210 nan 0.000 0.393 347 T N 0.143 114.795 114.554 0.165 0.000 2.932 347 T HA 0.453 4.803 4.350 -0.000 0.000 0.318 347 T C -0.941 173.864 174.700 0.176 0.000 1.265 347 T CA -0.563 61.667 62.100 0.217 0.000 1.036 347 T CB 2.182 71.210 68.868 0.267 0.000 1.209 347 T HN 0.081 nan 8.240 nan 0.000 0.484 348 S N 0.770 116.553 115.700 0.137 0.000 2.649 348 S HA 0.809 5.279 4.470 -0.000 0.000 0.274 348 S C -0.340 174.205 174.600 -0.091 0.000 1.176 348 S CA 0.096 58.284 58.200 -0.019 0.000 0.988 348 S CB 0.741 63.932 63.200 -0.015 0.000 1.071 348 S HN 1.304 nan 8.310 nan 0.000 0.478 349 G N 1.801 110.345 108.800 -0.427 0.000 2.490 349 G HA2 0.821 4.781 3.960 -0.000 0.000 0.308 349 G HA3 0.821 4.781 3.960 -0.000 0.000 0.308 349 G C -0.212 174.238 174.900 -0.751 0.000 1.286 349 G CA 0.023 44.871 45.100 -0.419 0.000 0.825 349 G HN 1.631 nan 8.290 nan 0.000 0.479 350 G N -1.603 106.970 108.800 -0.377 0.000 2.337 350 G HA2 0.521 4.480 3.960 -0.000 0.000 0.298 350 G HA3 0.521 4.480 3.960 -0.000 0.000 0.298 350 G C -1.081 173.861 174.900 0.070 0.000 1.335 350 G CA 0.068 45.079 45.100 -0.148 0.000 0.875 350 G HN 0.838 nan 8.290 nan 0.000 0.579 351 Q N 0.064 119.928 119.800 0.107 0.000 2.352 351 Q HA 0.532 4.872 4.340 -0.000 0.000 0.260 351 Q C 0.366 176.439 176.000 0.122 0.000 0.976 351 Q CA -0.345 55.504 55.803 0.076 0.000 0.881 351 Q CB 0.576 29.299 28.738 -0.026 0.000 1.235 351 Q HN 0.513 nan 8.270 nan 0.000 0.419 352 R N 3.066 123.603 120.500 0.062 0.000 2.705 352 R HA 0.509 4.849 4.340 -0.000 0.000 0.246 352 R C -0.277 176.123 176.300 0.168 0.000 1.142 352 R CA -0.888 55.275 56.100 0.105 0.000 1.114 352 R CB 0.195 30.543 30.300 0.079 0.000 1.256 352 R HN 0.668 nan 8.270 nan 0.000 0.536 353 I N 2.805 123.458 120.570 0.139 0.000 2.365 353 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 353 I C 1.546 177.749 176.117 0.143 0.000 1.004 353 I CA -0.307 61.058 61.300 0.107 0.000 1.311 353 I CB 0.868 38.804 38.000 -0.106 0.000 1.401 353 I HN 0.664 nan 8.210 nan 0.000 0.491 354 H N 4.880 124.032 119.070 0.137 0.000 2.729 354 H HA 0.293 4.848 4.556 -0.000 0.000 0.263 354 H C 0.414 175.928 175.328 0.311 0.000 0.961 354 H CA -0.390 55.842 56.048 0.307 0.000 1.217 354 H CB 0.203 30.075 29.762 0.183 0.000 1.447 354 H HN 0.351 nan 8.280 nan 0.000 0.496 355 R N 1.243 121.601 120.500 -0.236 0.000 2.340 355 R HA 0.003 4.343 4.340 -0.000 0.000 0.300 355 R C 0.458 176.756 176.300 -0.002 0.000 1.069 355 R CA -0.343 55.698 56.100 -0.098 0.000 0.984 355 R CB 0.608 30.776 30.300 -0.220 0.000 1.003 355 R HN 0.259 nan 8.270 nan 0.000 0.459 356 Y N 3.409 123.701 120.300 -0.013 0.000 2.097 356 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 356 Y C 1.701 177.557 175.900 -0.075 0.000 1.152 356 Y CA 1.939 60.022 58.100 -0.028 0.000 1.136 356 Y CB 0.273 38.725 38.460 -0.013 0.000 0.975 356 Y HN 0.540 nan 8.280 nan 0.000 0.498 357 E N 0.651 120.817 120.200 -0.057 0.000 2.097 357 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 357 E C 2.062 178.529 176.600 -0.221 0.000 1.000 357 E CA 1.851 58.155 56.400 -0.159 0.000 0.804 357 E CB -0.355 29.321 29.700 -0.040 0.000 0.740 357 E HN 0.708 nan 8.360 nan 0.000 0.454 358 E N 0.326 120.408 120.200 -0.196 0.000 2.153 358 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 358 E C 2.359 178.822 176.600 -0.228 0.000 0.988 358 E CA 0.462 56.732 56.400 -0.216 0.000 0.811 358 E CB -0.102 29.446 29.700 -0.253 0.000 0.746 358 E HN 0.225 nan 8.360 nan 0.000 0.466 359 L N 0.672 121.739 121.223 -0.260 0.000 2.027 359 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 359 L C 2.513 179.230 176.870 -0.255 0.000 1.074 359 L CA 0.852 55.560 54.840 -0.220 0.000 0.745 359 L CB -0.339 41.553 42.059 -0.279 0.000 0.898 359 L HN 0.178 nan 8.230 nan 0.000 0.433 360 L N -0.448 120.544 121.223 -0.385 0.000 2.013 360 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 360 L C 2.629 179.346 176.870 -0.255 0.000 1.073 360 L CA 1.316 55.941 54.840 -0.357 0.000 0.753 360 L CB -0.423 41.389 42.059 -0.412 0.000 0.890 360 L HN 0.283 nan 8.230 nan 0.000 0.432 361 E N 0.423 120.494 120.200 -0.216 0.000 2.023 361 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 361 E C 2.266 178.771 176.600 -0.159 0.000 1.003 361 E CA 1.891 58.192 56.400 -0.165 0.000 0.809 361 E CB -0.207 29.407 29.700 -0.143 0.000 0.755 361 E HN 0.468 nan 8.360 nan 0.000 0.449 362 S N 0.105 115.715 115.700 -0.150 0.000 2.400 362 S HA -0.179 4.291 4.470 -0.000 0.000 0.232 362 S C 2.171 176.681 174.600 -0.152 0.000 1.025 362 S CA 1.130 59.259 58.200 -0.119 0.000 0.993 362 S CB -0.581 62.572 63.200 -0.078 0.000 0.808 362 S HN 0.296 nan 8.310 nan 0.000 0.478 363 L N 0.920 121.988 121.223 -0.259 0.000 2.046 363 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 363 L C 2.721 179.393 176.870 -0.331 0.000 1.077 363 L CA 1.620 56.167 54.840 -0.489 0.000 0.747 363 L CB -0.318 41.303 42.059 -0.730 0.000 0.896 363 L HN 0.337 nan 8.230 nan 0.000 0.432 364 K N -0.255 120.004 120.400 -0.235 0.000 2.057 364 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 364 K C 1.972 178.496 176.600 -0.127 0.000 1.049 364 K CA 1.320 57.511 56.287 -0.160 0.000 0.931 364 K CB -0.324 32.099 32.500 -0.128 0.000 0.714 364 K HN 0.275 nan 8.250 nan 0.000 0.440 365 A N 1.410 124.158 122.820 -0.120 0.000 2.225 365 A HA -0.136 4.183 4.320 -0.000 0.000 0.215 365 A C 1.244 178.776 177.584 -0.086 0.000 1.164 365 A CA 1.259 53.242 52.037 -0.091 0.000 0.710 365 A CB -0.154 18.796 19.000 -0.084 0.000 0.780 365 A HN 0.179 nan 8.150 nan 0.000 0.473 366 K N -0.767 119.566 120.400 -0.112 0.000 2.618 366 K HA 0.273 4.593 4.320 -0.000 0.000 0.207 366 K C 0.502 177.044 176.600 -0.097 0.000 1.058 366 K CA 0.202 56.430 56.287 -0.098 0.000 1.086 366 K CB 0.248 32.685 32.500 -0.105 0.000 0.827 366 K HN 0.455 nan 8.250 nan 0.000 0.481 367 G N 2.729 111.476 108.800 -0.090 0.000 2.290 367 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.270 367 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.270 367 G C -0.229 174.632 174.900 -0.066 0.000 0.891 367 G CA 0.484 45.543 45.100 -0.068 0.000 1.321 367 G HN 0.133 nan 8.290 nan 0.000 0.425 368 M N 0.502 120.044 119.600 -0.096 0.000 2.325 368 M HA 0.222 4.702 4.480 -0.000 0.000 0.285 368 M C -0.783 175.488 176.300 -0.049 0.000 1.119 368 M CA -1.370 53.899 55.300 -0.053 0.000 0.959 368 M CB 1.884 34.426 32.600 -0.097 0.000 1.737 368 M HN 0.317 nan 8.290 nan 0.000 0.486 369 D N 4.967 125.397 120.400 0.049 0.000 2.382 369 D HA 0.223 4.863 4.640 -0.000 0.000 0.259 369 D C -1.628 174.757 176.300 0.143 0.000 1.224 369 D CA -0.759 53.276 54.000 0.058 0.000 0.894 369 D CB 1.262 42.097 40.800 0.058 0.000 1.127 369 D HN 0.229 nan 8.370 nan 0.000 0.487 370 P HA -0.122 nan 4.420 nan 0.000 0.225 370 P C 0.796 178.218 177.300 0.203 0.000 1.148 370 P CA 0.611 63.752 63.100 0.068 0.000 0.779 370 P CB 0.287 31.960 31.700 -0.045 0.000 0.780 371 E N 0.083 120.380 120.200 0.161 0.000 2.347 371 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 371 E C 1.779 178.474 176.600 0.158 0.000 1.008 371 E CA 0.967 57.465 56.400 0.163 0.000 0.852 371 E CB -0.911 28.844 29.700 0.093 0.000 0.783 371 E HN 0.091 nan 8.360 nan 0.000 0.505 372 A N -0.719 122.189 122.820 0.146 0.000 2.072 372 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 372 A C 1.000 178.501 177.584 -0.138 0.000 1.156 372 A CA 0.365 52.380 52.037 -0.037 0.000 0.701 372 A CB -0.286 18.615 19.000 -0.166 0.000 0.816 372 A HN 0.248 nan 8.150 nan 0.000 0.458 373 F N -1.081 118.913 119.950 0.073 0.000 2.668 373 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 373 F C 1.691 177.640 175.800 0.248 0.000 1.124 373 F CA -0.404 57.685 58.000 0.147 0.000 1.353 373 F CB -0.350 38.684 39.000 0.057 0.000 0.992 373 F HN 0.387 nan 8.300 nan 0.000 0.524 374 H N 0.508 119.733 119.070 0.259 0.000 2.353 374 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 374 H C 2.211 177.681 175.328 0.236 0.000 1.090 374 H CA 1.746 57.934 56.048 0.233 0.000 1.327 374 H CB -0.160 29.693 29.762 0.153 0.000 1.383 374 H HN 0.388 nan 8.280 nan 0.000 0.508 375 G N -1.052 107.983 108.800 0.391 0.000 2.484 375 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 375 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 375 G C 1.569 176.652 174.900 0.305 0.000 1.130 375 G CA 0.599 45.886 45.100 0.312 0.000 0.784 375 G HN 0.510 nan 8.290 nan 0.000 0.543 376 Y N 0.737 121.186 120.300 0.248 0.000 2.347 376 Y HA 0.267 4.817 4.550 -0.000 0.000 0.294 376 Y C 2.354 178.515 175.900 0.436 0.000 1.117 376 Y CA 0.533 58.829 58.100 0.327 0.000 1.184 376 Y CB -0.022 38.684 38.460 0.409 0.000 1.047 376 Y HN 0.064 nan 8.280 nan 0.000 0.546 377 L N 0.038 121.464 121.223 0.338 0.000 2.275 377 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 377 L C 2.351 179.403 176.870 0.304 0.000 1.119 377 L CA 0.757 55.792 54.840 0.327 0.000 0.790 377 L CB -0.492 41.790 42.059 0.370 0.000 0.919 377 L HN 0.175 nan 8.230 nan 0.000 0.443 378 E N 0.273 120.557 120.200 0.140 0.000 2.035 378 E HA -0.289 4.061 4.350 -0.000 0.000 0.204 378 E C 2.290 178.983 176.600 0.156 0.000 1.025 378 E CA 1.722 58.172 56.400 0.084 0.000 0.835 378 E CB -0.738 29.029 29.700 0.111 0.000 0.764 378 E HN 0.295 nan 8.360 nan 0.000 0.457 379 V N 0.629 120.607 119.914 0.106 0.000 2.380 379 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 379 V C 1.843 177.915 176.094 -0.036 0.000 1.063 379 V CA 1.710 64.018 62.300 0.013 0.000 1.055 379 V CB -0.533 31.129 31.823 -0.267 0.000 0.657 379 V HN 0.191 nan 8.190 nan 0.000 0.455 380 F N 0.279 120.250 119.950 0.035 0.000 2.773 380 F HA 0.079 4.606 4.527 -0.000 0.000 0.299 380 F C 1.890 177.691 175.800 0.003 0.000 1.204 380 F CA 0.809 58.845 58.000 0.060 0.000 1.454 380 F CB -0.386 38.668 39.000 0.090 0.000 1.117 380 F HN 0.148 nan 8.300 nan 0.000 0.590 381 K N -0.970 119.397 120.400 -0.055 0.000 2.440 381 K HA 0.138 4.458 4.320 -0.000 0.000 0.206 381 K C -0.772 175.398 176.600 -0.718 0.000 1.025 381 K CA 0.027 56.048 56.287 -0.442 0.000 1.135 381 K CB 0.200 32.274 32.500 -0.711 0.000 0.856 381 K HN 0.189 nan 8.250 nan 0.000 0.502 382 Y N -0.067 120.205 120.300 -0.046 0.000 2.501 382 Y HA 0.227 4.776 4.550 -0.000 0.000 0.331 382 Y C 0.734 176.613 175.900 -0.035 0.000 0.950 382 Y CA -1.042 57.027 58.100 -0.052 0.000 1.120 382 Y CB 1.104 39.517 38.460 -0.079 0.000 1.154 382 Y HN 0.167 nan 8.280 nan 0.000 0.630 383 G N 1.359 110.202 108.800 0.073 0.000 2.390 383 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.299 383 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.299 383 G C 0.246 175.182 174.900 0.061 0.000 1.002 383 G CA 0.131 45.280 45.100 0.081 0.000 0.979 383 G HN 0.419 nan 8.290 nan 0.000 0.513 384 M N 1.924 121.564 119.600 0.067 0.000 2.303 384 M HA 0.299 4.779 4.480 -0.000 0.000 0.350 384 M C -1.072 175.272 176.300 0.074 0.000 1.518 384 M CA -1.932 53.377 55.300 0.014 0.000 1.070 384 M CB 0.367 32.956 32.600 -0.018 0.000 1.910 384 M HN 0.208 nan 8.290 nan 0.000 0.458 385 P HA 0.243 nan 4.420 nan 0.000 0.274 385 P C -2.817 174.274 177.300 -0.348 0.000 1.237 385 P CA -1.318 61.580 63.100 -0.335 0.000 0.793 385 P CB -0.353 30.797 31.700 -0.918 0.000 0.977 386 P HA 0.007 nan 4.420 nan 0.000 0.263 386 P C -0.578 176.538 177.300 -0.308 0.000 1.195 386 P CA 0.990 63.611 63.100 -0.800 0.000 0.762 386 P CB -0.226 31.077 31.700 -0.662 0.000 0.799 387 H N 0.676 119.644 119.070 -0.171 0.000 2.960 387 H HA 0.869 5.425 4.556 -0.000 0.000 0.323 387 H C -0.659 174.683 175.328 0.023 0.000 1.326 387 H CA -1.069 54.934 56.048 -0.074 0.000 1.124 387 H CB 1.021 30.734 29.762 -0.082 0.000 1.853 387 H HN 0.634 nan 8.280 nan 0.000 0.536 388 G N -1.752 107.193 108.800 0.241 0.000 2.550 388 G HA2 0.629 4.589 3.960 -0.000 0.000 0.293 388 G HA3 0.629 4.589 3.960 -0.000 0.000 0.293 388 G C -1.034 174.018 174.900 0.253 0.000 1.402 388 G CA -0.412 44.818 45.100 0.217 0.000 0.784 388 G HN 1.220 nan 8.290 nan 0.000 0.482 389 G N -1.795 107.152 108.800 0.245 0.000 2.488 389 G HA2 0.875 4.835 3.960 -0.000 0.000 0.301 389 G HA3 0.875 4.835 3.960 -0.000 0.000 0.301 389 G C -1.428 173.654 174.900 0.304 0.000 1.339 389 G CA 0.188 45.427 45.100 0.231 0.000 0.803 389 G HN 1.870 nan 8.290 nan 0.000 0.482 390 F N -2.368 117.663 119.950 0.134 0.000 2.773 390 F HA 0.904 5.431 4.527 -0.000 0.000 0.314 390 F C -0.542 175.340 175.800 0.137 0.000 1.160 390 F CA -1.165 56.891 58.000 0.094 0.000 0.920 390 F CB 1.266 40.372 39.000 0.176 0.000 1.323 390 F HN 1.252 nan 8.300 nan 0.000 0.457 391 A N 1.575 124.589 122.820 0.322 0.000 2.435 391 A HA 0.863 5.183 4.320 -0.000 0.000 0.304 391 A C -1.500 176.267 177.584 0.305 0.000 1.064 391 A CA -0.851 51.309 52.037 0.205 0.000 0.727 391 A CB 1.359 20.444 19.000 0.141 0.000 1.284 391 A HN 0.784 nan 8.150 nan 0.000 0.415 392 I N 1.761 122.454 120.570 0.205 0.000 2.406 392 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 392 I C 0.889 177.083 176.117 0.127 0.000 0.999 392 I CA -0.652 60.757 61.300 0.181 0.000 1.124 392 I CB 2.045 40.127 38.000 0.135 0.000 1.289 392 I HN 0.794 nan 8.210 nan 0.000 0.441 393 G N 4.405 113.308 108.800 0.172 0.000 2.605 393 G HA2 0.314 4.274 3.960 -0.000 0.000 0.301 393 G HA3 0.314 4.274 3.960 -0.000 0.000 0.301 393 G C 1.006 175.984 174.900 0.131 0.000 0.881 393 G CA 0.190 45.421 45.100 0.218 0.000 1.553 393 G HN 0.895 nan 8.290 nan 0.000 0.483 394 A N 3.221 126.096 122.820 0.092 0.000 1.884 394 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 394 A C 2.163 179.785 177.584 0.064 0.000 1.197 394 A CA 2.173 54.229 52.037 0.031 0.000 0.637 394 A CB -0.333 18.659 19.000 -0.013 0.000 0.827 394 A HN 0.548 nan 8.150 nan 0.000 0.450 395 E N -0.646 119.614 120.200 0.100 0.000 2.110 395 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 395 E C 2.278 178.925 176.600 0.078 0.000 0.988 395 E CA 1.305 57.760 56.400 0.090 0.000 0.804 395 E CB -0.184 29.580 29.700 0.107 0.000 0.745 395 E HN 0.589 nan 8.360 nan 0.000 0.458 396 R N -0.096 120.449 120.500 0.076 0.000 2.081 396 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 396 R C 2.321 178.684 176.300 0.104 0.000 1.131 396 R CA 1.025 57.164 56.100 0.065 0.000 0.960 396 R CB -0.459 29.871 30.300 0.050 0.000 0.856 396 R HN 0.148 nan 8.270 nan 0.000 0.436 397 L N 0.824 122.107 121.223 0.100 0.000 1.989 397 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 397 L C 1.918 178.851 176.870 0.105 0.000 1.071 397 L CA 2.046 56.938 54.840 0.088 0.000 0.749 397 L CB -0.914 41.141 42.059 -0.007 0.000 0.890 397 L HN 0.070 nan 8.230 nan 0.000 0.431 398 T N -0.466 114.132 114.554 0.074 0.000 2.720 398 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 398 T C 1.746 176.496 174.700 0.083 0.000 1.037 398 T CA 1.663 63.809 62.100 0.078 0.000 1.144 398 T CB -0.243 68.668 68.868 0.073 0.000 0.864 398 T HN 0.500 nan 8.240 nan 0.000 0.444 399 Q N 0.644 120.487 119.800 0.072 0.000 2.002 399 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 399 Q C 2.222 178.223 176.000 0.002 0.000 0.988 399 Q CA 1.366 57.191 55.803 0.037 0.000 0.843 399 Q CB -0.056 28.695 28.738 0.021 0.000 0.908 399 Q HN 0.221 nan 8.270 nan 0.000 0.420 400 K N 0.570 120.976 120.400 0.010 0.000 2.147 400 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 400 K C 2.109 178.649 176.600 -0.101 0.000 1.049 400 K CA 0.494 56.706 56.287 -0.127 0.000 0.936 400 K CB -0.429 31.909 32.500 -0.269 0.000 0.722 400 K HN 0.223 nan 8.250 nan 0.000 0.446 401 L N 0.734 122.049 121.223 0.154 0.000 2.093 401 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 401 L C 1.752 178.628 176.870 0.010 0.000 1.085 401 L CA 1.489 56.375 54.840 0.077 0.000 0.755 401 L CB -0.130 41.935 42.059 0.009 0.000 0.904 401 L HN 0.043 nan 8.230 nan 0.000 0.435 402 L N -0.681 120.570 121.223 0.047 0.000 2.607 402 L HA 0.327 4.667 4.340 -0.000 0.000 0.228 402 L C 1.188 178.070 176.870 0.019 0.000 1.123 402 L CA 0.352 55.236 54.840 0.074 0.000 0.890 402 L CB -0.602 41.517 42.059 0.099 0.000 1.103 402 L HN 0.433 nan 8.230 nan 0.000 0.468 403 G N 1.532 110.307 108.800 -0.041 0.000 2.295 403 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 403 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 403 G C -0.007 174.839 174.900 -0.089 0.000 1.055 403 G CA -0.021 45.032 45.100 -0.078 0.000 0.922 403 G HN 0.256 nan 8.290 nan 0.000 0.503 404 L N -1.036 120.128 121.223 -0.099 0.000 2.399 404 L HA 0.369 4.709 4.340 -0.000 0.000 0.266 404 L C -0.320 176.383 176.870 -0.278 0.000 1.114 404 L CA -2.295 52.439 54.840 -0.176 0.000 0.804 404 L CB 0.640 42.639 42.059 -0.099 0.000 1.146 404 L HN -0.048 nan 8.230 nan 0.000 0.451 405 P HA -0.168 nan 4.420 nan 0.000 0.208 405 P C -0.681 176.439 177.300 -0.300 0.000 1.180 405 P CA 1.433 64.274 63.100 -0.432 0.000 0.935 405 P CB 0.070 31.357 31.700 -0.688 0.000 0.785 406 N N -3.592 114.915 118.700 -0.323 0.000 2.629 406 N HA 0.212 4.952 4.740 -0.000 0.000 0.279 406 N C 0.322 175.846 175.510 0.023 0.000 1.344 406 N CA -0.848 52.151 53.050 -0.086 0.000 0.789 406 N CB 0.418 38.907 38.487 0.004 0.000 1.508 406 N HN -0.242 nan 8.380 nan 0.000 0.516 407 V N 0.338 120.281 119.914 0.048 0.000 2.720 407 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 407 V C 1.878 178.049 176.094 0.129 0.000 1.082 407 V CA 1.547 63.892 62.300 0.075 0.000 1.101 407 V CB -0.740 31.108 31.823 0.042 0.000 0.693 407 V HN 0.619 nan 8.190 nan 0.000 0.479 408 R N -1.293 119.309 120.500 0.170 0.000 2.241 408 R HA -0.142 4.198 4.340 -0.000 0.000 0.224 408 R C 1.875 178.255 176.300 0.134 0.000 1.101 408 R CA 1.436 57.622 56.100 0.143 0.000 0.995 408 R CB -0.412 29.964 30.300 0.125 0.000 0.870 408 R HN 0.549 nan 8.270 nan 0.000 0.463 409 Y N 0.072 120.371 120.300 -0.002 0.000 2.616 409 Y HA 0.048 4.598 4.550 -0.000 0.000 0.296 409 Y C 1.872 177.768 175.900 -0.008 0.000 1.154 409 Y CA 0.375 58.470 58.100 -0.008 0.000 1.325 409 Y CB 0.177 38.635 38.460 -0.003 0.000 1.007 409 Y HN 0.057 nan 8.280 nan 0.000 0.542 410 A N -0.717 122.184 122.820 0.134 0.000 2.470 410 A HA 0.350 4.670 4.320 -0.000 0.000 0.251 410 A C 0.561 178.172 177.584 0.044 0.000 1.245 410 A CA -0.253 51.833 52.037 0.082 0.000 0.932 410 A CB 0.046 19.099 19.000 0.089 0.000 1.037 410 A HN 0.071 nan 8.150 nan 0.000 0.522 411 R N -0.649 119.863 120.500 0.021 0.000 2.494 411 R HA 0.696 5.036 4.340 -0.000 0.000 0.305 411 R C 0.937 177.179 176.300 -0.097 0.000 0.959 411 R CA 0.330 56.431 56.100 0.003 0.000 0.864 411 R CB 1.146 31.472 30.300 0.045 0.000 1.159 411 R HN 0.066 nan 8.270 nan 0.000 0.446 412 A N 3.881 126.606 122.820 -0.158 0.000 1.858 412 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 412 A C 0.019 177.168 177.584 -0.726 0.000 1.190 412 A CA 1.126 52.864 52.037 -0.498 0.000 0.617 412 A CB -0.276 18.395 19.000 -0.548 0.000 0.827 412 A HN 0.562 nan 8.150 nan 0.000 0.443 413 F N 0.285 120.245 119.950 0.016 0.000 2.564 413 F HA 0.420 4.947 4.527 -0.000 0.000 0.361 413 F C -2.302 173.510 175.800 0.019 0.000 1.161 413 F CA -2.265 55.744 58.000 0.015 0.000 1.198 413 F CB 0.251 39.265 39.000 0.023 0.000 1.424 413 F HN 0.009 nan 8.300 nan 0.000 0.517 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.157 63.100 0.094 0.000 0.800 414 P CB 0.000 31.731 31.700 0.052 0.000 0.726