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 3olb_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 175.015 174.900 0.192 0.000 0.946 1 G CA 0.000 45.207 45.100 0.178 0.000 0.502 2 E N 1.038 121.287 120.200 0.081 0.000 2.214 2 E HA 0.656 5.007 4.350 0.001 0.000 0.274 2 E C -0.303 176.237 176.600 -0.100 0.000 0.977 2 E CA -0.977 55.442 56.400 0.032 0.000 0.827 2 E CB 2.232 31.951 29.700 0.032 0.000 1.130 2 E HN 0.399 nan 8.360 nan 0.000 0.394 3 I N 2.404 122.870 120.570 -0.173 0.000 2.588 3 I HA -0.092 4.079 4.170 0.001 0.000 0.283 3 I C 1.180 177.203 176.117 -0.158 0.000 1.119 3 I CA 0.003 61.147 61.300 -0.261 0.000 1.419 3 I CB 0.860 38.657 38.000 -0.339 0.000 1.394 3 I HN 0.578 nan 8.210 nan 0.000 0.562 4 Q N 6.086 125.765 119.800 -0.202 0.000 2.402 4 Q HA 0.145 4.486 4.340 0.001 0.000 0.231 4 Q C -0.458 175.611 176.000 0.115 0.000 0.888 4 Q CA 0.624 56.399 55.803 -0.047 0.000 0.938 4 Q CB 1.190 29.917 28.738 -0.018 0.000 1.086 4 Q HN 0.764 nan 8.270 nan 0.000 0.543 5 W N -1.148 120.137 121.300 -0.025 0.000 3.059 5 W HA 0.649 5.310 4.660 0.001 0.000 0.329 5 W C -1.803 174.716 176.519 0.000 0.000 1.246 5 W CA -0.975 56.362 57.345 -0.013 0.000 1.190 5 W CB 0.522 29.987 29.460 0.008 0.000 1.423 5 W HN -0.163 nan 8.180 nan 0.000 0.571 6 M N 3.025 122.844 119.600 0.366 0.000 2.183 6 M HA 0.515 4.996 4.480 0.001 0.000 0.277 6 M C -1.418 175.060 176.300 0.296 0.000 0.995 6 M CA -0.211 55.235 55.300 0.243 0.000 0.969 6 M CB 1.821 34.415 32.600 -0.009 0.000 1.659 6 M HN 0.509 nan 8.290 nan 0.000 0.462 7 R N 4.001 124.719 120.500 0.364 0.000 2.651 7 R HA 0.571 4.912 4.340 0.001 0.000 0.278 7 R C -3.000 173.417 176.300 0.196 0.000 1.010 7 R CA -1.961 54.283 56.100 0.240 0.000 0.896 7 R CB 1.768 32.191 30.300 0.205 0.000 1.211 7 R HN 0.358 nan 8.270 nan 0.000 0.456 8 P HA -0.002 nan 4.420 nan 0.000 0.264 8 P C 0.223 177.589 177.300 0.109 0.000 1.183 8 P CA 0.459 63.617 63.100 0.095 0.000 0.763 8 P CB 0.674 32.409 31.700 0.057 0.000 0.807 9 S N 2.591 118.360 115.700 0.116 0.000 2.355 9 S HA -0.118 4.353 4.470 0.001 0.000 0.222 9 S C 1.549 176.206 174.600 0.096 0.000 1.031 9 S CA 1.144 59.433 58.200 0.148 0.000 0.993 9 S CB -0.352 62.941 63.200 0.156 0.000 0.859 9 S HN 0.483 nan 8.310 nan 0.000 0.453 10 K N 1.371 121.810 120.400 0.065 0.000 2.442 10 K HA -0.015 4.305 4.320 0.001 0.000 0.198 10 K C 1.730 178.332 176.600 0.003 0.000 1.044 10 K CA 0.615 56.922 56.287 0.033 0.000 0.948 10 K CB -0.210 32.308 32.500 0.031 0.000 0.762 10 K HN 0.560 nan 8.250 nan 0.000 0.472 11 E N 0.404 120.610 120.200 0.009 0.000 2.481 11 E HA -0.039 4.312 4.350 0.001 0.000 0.195 11 E C 0.497 177.068 176.600 -0.048 0.000 1.047 11 E CA 0.291 56.683 56.400 -0.014 0.000 0.867 11 E CB 0.475 30.177 29.700 0.002 0.000 0.858 11 E HN -0.098 nan 8.360 nan 0.000 0.513 12 V N -0.828 119.050 119.914 -0.060 0.000 3.337 12 V HA 0.301 4.422 4.120 0.001 0.000 0.307 12 V C 0.944 176.847 176.094 -0.318 0.000 1.505 12 V CA 0.387 62.599 62.300 -0.147 0.000 1.072 12 V CB 1.039 32.830 31.823 -0.054 0.000 0.929 12 V HN 0.396 nan 8.190 nan 0.000 0.455 13 G N -0.203 108.465 108.800 -0.220 0.000 2.194 13 G HA2 -0.265 3.696 3.960 0.001 0.000 0.236 13 G HA3 -0.265 3.696 3.960 0.001 0.000 0.236 13 G C -0.131 174.663 174.900 -0.177 0.000 0.987 13 G CA -0.110 44.846 45.100 -0.240 0.000 0.635 13 G HN 0.381 nan 8.290 nan 0.000 0.520 14 Y N 1.470 121.784 120.300 0.023 0.000 2.320 14 Y HA 0.574 5.125 4.550 0.001 0.000 0.324 14 Y C -1.719 174.214 175.900 0.056 0.000 1.190 14 Y CA -2.755 55.361 58.100 0.026 0.000 1.215 14 Y CB 0.917 39.331 38.460 -0.077 0.000 1.221 14 Y HN -0.008 nan 8.280 nan 0.000 0.486 15 P HA 0.198 nan 4.420 nan 0.000 0.274 15 P C -0.930 176.444 177.300 0.124 0.000 1.256 15 P CA -0.354 62.851 63.100 0.175 0.000 0.795 15 P CB 0.707 32.512 31.700 0.176 0.000 1.038 16 I N 0.745 121.364 120.570 0.082 0.000 2.342 16 I HA 0.250 4.421 4.170 0.001 0.000 0.291 16 I C 0.103 176.247 176.117 0.044 0.000 1.010 16 I CA 0.124 61.454 61.300 0.050 0.000 1.308 16 I CB 0.007 38.026 38.000 0.033 0.000 1.400 16 I HN 0.090 nan 8.210 nan 0.000 0.488 17 I N 6.187 126.770 120.570 0.021 0.000 2.362 17 I HA 0.336 4.507 4.170 0.001 0.000 0.289 17 I C -0.346 175.772 176.117 0.002 0.000 0.994 17 I CA -0.134 61.182 61.300 0.027 0.000 1.158 17 I CB 0.946 38.956 38.000 0.017 0.000 1.315 17 I HN 0.504 nan 8.210 nan 0.000 0.451 18 N N 4.430 123.155 118.700 0.043 0.000 2.417 18 N HA 0.726 5.466 4.740 0.001 0.000 0.274 18 N C -0.509 175.076 175.510 0.124 0.000 0.987 18 N CA -0.514 52.564 53.050 0.046 0.000 0.912 18 N CB 1.671 40.177 38.487 0.031 0.000 1.177 18 N HN 0.715 nan 8.380 nan 0.000 0.490 19 A N 2.673 125.596 122.820 0.170 0.000 2.257 19 A HA 0.590 4.911 4.320 0.001 0.000 0.289 19 A C -2.003 175.677 177.584 0.159 0.000 1.095 19 A CA -1.027 51.173 52.037 0.273 0.000 0.836 19 A CB -0.284 18.992 19.000 0.460 0.000 1.111 19 A HN 0.470 nan 8.150 nan 0.000 0.497 20 P HA 0.137 nan 4.420 nan 0.000 0.269 20 P C 0.447 177.796 177.300 0.082 0.000 1.217 20 P CA 0.315 63.464 63.100 0.081 0.000 0.783 20 P CB 0.643 32.377 31.700 0.056 0.000 0.898 21 S N -0.992 114.742 115.700 0.057 0.000 2.559 21 S HA 0.214 4.684 4.470 0.001 0.000 0.226 21 S C 0.299 174.914 174.600 0.025 0.000 1.000 21 S CA -0.250 57.978 58.200 0.046 0.000 0.948 21 S CB -0.026 63.196 63.200 0.037 0.000 0.870 21 S HN 0.314 nan 8.310 nan 0.000 0.497 22 K N 1.288 121.703 120.400 0.025 0.000 2.259 22 K HA 0.506 4.827 4.320 0.001 0.000 0.249 22 K C -0.519 176.089 176.600 0.013 0.000 0.942 22 K CA -0.528 55.769 56.287 0.015 0.000 0.816 22 K CB 1.677 34.188 32.500 0.018 0.000 1.155 22 K HN 0.040 nan 8.250 nan 0.000 0.428 23 T N 0.949 115.505 114.554 0.004 0.000 2.898 23 T HA 0.060 4.411 4.350 0.001 0.000 0.301 23 T C 0.900 175.608 174.700 0.014 0.000 1.049 23 T CA -0.103 61.995 62.100 -0.003 0.000 1.095 23 T CB 0.449 69.301 68.868 -0.026 0.000 0.976 23 T HN 0.371 nan 8.240 nan 0.000 0.539 24 K N 2.875 123.281 120.400 0.011 0.000 2.379 24 K HA 0.226 4.547 4.320 0.001 0.000 0.194 24 K C 0.452 177.085 176.600 0.055 0.000 1.031 24 K CA 0.142 56.445 56.287 0.027 0.000 1.037 24 K CB -0.021 32.488 32.500 0.016 0.000 0.824 24 K HN 0.561 nan 8.250 nan 0.000 0.516 25 L N 2.741 123.995 121.223 0.051 0.000 2.360 25 L HA 0.039 4.380 4.340 0.001 0.000 0.276 25 L C 0.141 177.159 176.870 0.246 0.000 1.121 25 L CA 0.164 55.077 54.840 0.121 0.000 0.845 25 L CB 0.448 42.491 42.059 -0.028 0.000 1.143 25 L HN 0.140 nan 8.230 nan 0.000 0.452 26 E N 3.687 124.097 120.200 0.350 0.000 2.393 26 E HA 0.557 4.908 4.350 0.001 0.000 0.273 26 E C -2.773 173.957 176.600 0.217 0.000 0.918 26 E CA -2.549 54.030 56.400 0.298 0.000 0.773 26 E CB 1.150 30.926 29.700 0.127 0.000 1.275 26 E HN 0.179 nan 8.360 nan 0.000 0.451 27 P HA -0.034 nan 4.420 nan 0.000 0.267 27 P C -0.604 176.561 177.300 -0.226 0.000 1.200 27 P CA 0.020 62.803 63.100 -0.529 0.000 0.772 27 P CB 0.817 32.023 31.700 -0.823 0.000 0.855 28 S N 1.369 116.953 115.700 -0.194 0.000 2.713 28 S HA 0.492 4.963 4.470 0.001 0.000 0.283 28 S C 1.516 176.042 174.600 -0.124 0.000 1.161 28 S CA -0.049 58.122 58.200 -0.048 0.000 0.999 28 S CB 0.459 63.707 63.200 0.081 0.000 1.039 28 S HN 0.398 nan 8.310 nan 0.000 0.548 29 A N 1.586 124.271 122.820 -0.226 0.000 2.084 29 A HA -0.003 4.318 4.320 0.001 0.000 0.221 29 A C 0.952 178.195 177.584 -0.569 0.000 1.161 29 A CA 1.555 53.299 52.037 -0.488 0.000 0.653 29 A CB -0.717 17.808 19.000 -0.792 0.000 0.802 29 A HN 0.745 nan 8.150 nan 0.000 0.457 30 F N -2.240 117.709 119.950 -0.002 0.000 2.639 30 F HA 0.220 4.747 4.527 0.001 0.000 0.302 30 F C 1.520 177.330 175.800 0.018 0.000 1.097 30 F CA 0.068 58.105 58.000 0.062 0.000 1.294 30 F CB -0.588 38.503 39.000 0.153 0.000 1.027 30 F HN 0.383 nan 8.300 nan 0.000 0.550 31 H N -0.763 118.208 119.070 -0.165 0.000 2.421 31 H HA -0.169 4.387 4.556 0.001 0.000 0.298 31 H C 1.191 176.209 175.328 -0.517 0.000 1.087 31 H CA 2.178 57.935 56.048 -0.485 0.000 1.330 31 H CB 0.005 29.258 29.762 -0.850 0.000 1.388 31 H HN 0.359 nan 8.280 nan 0.000 0.526 32 Y N -1.959 118.350 120.300 0.014 0.000 2.458 32 Y HA 0.118 4.668 4.550 0.001 0.000 0.254 32 Y C 2.167 178.018 175.900 -0.081 0.000 1.120 32 Y CA 0.096 58.173 58.100 -0.037 0.000 1.282 32 Y CB 0.618 39.072 38.460 -0.011 0.000 1.109 32 Y HN 0.038 nan 8.280 nan 0.000 0.526 33 V N -0.557 119.373 119.914 0.026 0.000 2.427 33 V HA -0.176 3.945 4.120 0.001 0.000 0.248 33 V C 0.275 176.093 176.094 -0.460 0.000 1.051 33 V CA 1.374 63.548 62.300 -0.211 0.000 1.048 33 V CB -0.501 31.181 31.823 -0.235 0.000 0.666 33 V HN 0.075 nan 8.190 nan 0.000 0.456 34 F N -0.211 119.681 119.950 -0.096 0.000 2.556 34 F HA 0.533 5.060 4.527 0.001 0.000 0.327 34 F C 0.453 176.165 175.800 -0.146 0.000 1.059 34 F CA -1.194 56.704 58.000 -0.169 0.000 0.953 34 F CB 1.160 40.028 39.000 -0.219 0.000 1.227 34 F HN 0.031 nan 8.300 nan 0.000 0.478 35 E N 0.434 120.691 120.200 0.095 0.000 2.232 35 E HA 0.858 5.208 4.350 0.001 0.000 0.265 35 E C -0.540 176.111 176.600 0.086 0.000 1.001 35 E CA -1.176 55.252 56.400 0.047 0.000 0.870 35 E CB 2.188 31.916 29.700 0.048 0.000 1.175 35 E HN 0.788 nan 8.360 nan 0.000 0.407 36 G N -0.654 108.180 108.800 0.058 0.000 2.489 36 G HA2 0.328 4.289 3.960 0.001 0.000 0.291 36 G HA3 0.328 4.289 3.960 0.001 0.000 0.291 36 G C -0.119 174.842 174.900 0.101 0.000 1.487 36 G CA -0.264 44.895 45.100 0.099 0.000 0.795 36 G HN 0.722 nan 8.290 nan 0.000 0.513 37 V N -2.542 117.436 119.914 0.107 0.000 3.661 37 V HA 0.462 4.583 4.120 0.001 0.000 0.271 37 V C 0.733 176.893 176.094 0.110 0.000 1.315 37 V CA 0.420 62.779 62.300 0.098 0.000 1.072 37 V CB -0.391 31.473 31.823 0.068 0.000 0.830 37 V HN 0.432 nan 8.190 nan 0.000 0.443 38 K N 2.126 122.600 120.400 0.123 0.000 2.237 38 K HA 0.527 4.848 4.320 0.001 0.000 0.270 38 K C -0.122 176.521 176.600 0.072 0.000 1.015 38 K CA 0.051 56.376 56.287 0.062 0.000 0.949 38 K CB 0.702 33.209 32.500 0.011 0.000 0.976 38 K HN 0.776 nan 8.250 nan 0.000 0.472 39 E N 1.644 121.782 120.200 -0.102 0.000 2.433 39 E HA 0.365 4.716 4.350 0.001 0.000 0.278 39 E C -2.909 173.442 176.600 -0.415 0.000 0.976 39 E CA -2.752 53.473 56.400 -0.292 0.000 0.793 39 E CB 1.159 30.866 29.700 0.011 0.000 1.311 39 E HN 0.141 nan 8.360 nan 0.000 0.460 40 P HA 0.015 nan 4.420 nan 0.000 0.264 40 P C -0.691 176.491 177.300 -0.197 0.000 1.183 40 P CA 0.297 63.173 63.100 -0.372 0.000 0.763 40 P CB 0.444 31.956 31.700 -0.312 0.000 0.807 41 A N 3.631 126.362 122.820 -0.147 0.000 2.425 41 A HA 0.188 4.508 4.320 0.001 0.000 0.242 41 A C 0.094 177.629 177.584 -0.081 0.000 1.077 41 A CA -0.373 51.612 52.037 -0.086 0.000 0.781 41 A CB -0.079 18.891 19.000 -0.050 0.000 1.020 41 A HN 0.403 nan 8.150 nan 0.000 0.494 42 V N 2.501 122.362 119.914 -0.088 0.000 2.540 42 V HA -0.032 4.088 4.120 0.001 0.000 0.297 42 V C 0.970 176.952 176.094 -0.185 0.000 1.024 42 V CA 0.345 62.521 62.300 -0.208 0.000 1.105 42 V CB 0.530 32.142 31.823 -0.352 0.000 0.938 42 V HN 0.802 nan 8.190 nan 0.000 0.482 43 L N 4.293 125.396 121.223 -0.200 0.000 2.500 43 L HA 0.221 4.562 4.340 0.001 0.000 0.219 43 L C 1.177 178.018 176.870 -0.048 0.000 1.057 43 L CA 1.248 56.066 54.840 -0.036 0.000 0.854 43 L CB 0.040 42.101 42.059 0.003 0.000 1.078 43 L HN 0.942 nan 8.230 nan 0.000 0.480 44 T N -4.957 109.433 114.554 -0.273 0.000 2.864 44 T HA 0.325 4.675 4.350 0.001 0.000 0.289 44 T C 0.806 175.272 174.700 -0.389 0.000 1.082 44 T CA -0.756 61.246 62.100 -0.164 0.000 1.009 44 T CB 1.650 70.496 68.868 -0.037 0.000 1.234 44 T HN -0.119 nan 8.240 nan 0.000 0.526 45 K N 0.761 121.134 120.400 -0.045 0.000 2.155 45 K HA 0.008 4.328 4.320 0.001 0.000 0.203 45 K C 0.538 177.111 176.600 -0.044 0.000 1.052 45 K CA 0.835 57.137 56.287 0.024 0.000 0.948 45 K CB -0.866 31.738 32.500 0.172 0.000 0.728 45 K HN 0.483 nan 8.250 nan 0.000 0.448 46 N N 2.349 121.024 118.700 -0.041 0.000 2.652 46 N HA -0.023 4.718 4.740 0.001 0.000 0.259 46 N C -0.747 174.726 175.510 -0.062 0.000 1.240 46 N CA 0.217 53.248 53.050 -0.032 0.000 0.951 46 N CB -0.097 38.384 38.487 -0.011 0.000 1.281 46 N HN 0.183 nan 8.380 nan 0.000 0.507 47 D N 0.044 120.379 120.400 -0.108 0.000 2.274 47 D HA 0.163 4.804 4.640 0.001 0.000 0.239 47 D C -1.623 174.637 176.300 -0.067 0.000 1.104 47 D CA -2.012 51.922 54.000 -0.109 0.000 0.840 47 D CB 1.957 42.642 40.800 -0.192 0.000 1.100 47 D HN 0.003 nan 8.370 nan 0.000 0.477 48 P HA -0.065 nan 4.420 nan 0.000 0.218 48 P C 0.944 178.235 177.300 -0.016 0.000 1.148 48 P CA 0.893 63.983 63.100 -0.018 0.000 0.822 48 P CB 0.265 31.961 31.700 -0.007 0.000 0.784 49 R N -1.111 119.374 120.500 -0.025 0.000 2.357 49 R HA 0.058 4.399 4.340 0.001 0.000 0.202 49 R C 0.596 176.885 176.300 -0.018 0.000 1.047 49 R CA 0.097 56.188 56.100 -0.015 0.000 1.034 49 R CB -0.668 29.622 30.300 -0.018 0.000 0.875 49 R HN 0.269 nan 8.270 nan 0.000 0.473 50 L N 1.540 122.745 121.223 -0.030 0.000 2.360 50 L HA 0.073 4.414 4.340 0.001 0.000 0.276 50 L C 0.689 177.565 176.870 0.009 0.000 1.121 50 L CA 0.367 55.197 54.840 -0.017 0.000 0.845 50 L CB 0.863 42.903 42.059 -0.033 0.000 1.143 50 L HN -0.029 nan 8.230 nan 0.000 0.452 51 K N 2.133 122.545 120.400 0.021 0.000 2.861 51 K HA 0.283 4.604 4.320 0.001 0.000 0.210 51 K C -0.396 176.225 176.600 0.035 0.000 1.112 51 K CA -0.060 56.242 56.287 0.025 0.000 1.076 51 K CB 0.821 33.334 32.500 0.023 0.000 0.853 51 K HN 0.602 nan 8.250 nan 0.000 0.463 52 T N -0.647 113.935 114.554 0.047 0.000 2.652 52 T HA -0.013 4.337 4.350 0.001 0.000 0.303 52 T C -2.088 172.662 174.700 0.084 0.000 1.738 52 T CA -0.818 61.316 62.100 0.058 0.000 0.969 52 T CB 1.288 70.190 68.868 0.056 0.000 1.778 52 T HN 0.193 nan 8.240 nan 0.000 0.494 53 D N 0.888 121.341 120.400 0.088 0.000 2.312 53 D HA 0.355 4.996 4.640 0.001 0.000 0.252 53 D C 0.785 177.189 176.300 0.173 0.000 1.150 53 D CA -0.301 53.769 54.000 0.117 0.000 0.870 53 D CB 0.397 41.249 40.800 0.087 0.000 1.153 53 D HN 0.310 nan 8.370 nan 0.000 0.457 54 F N 3.273 123.236 119.950 0.023 0.000 2.000 54 F HA -0.071 4.456 4.527 0.001 0.000 0.295 54 F C 1.824 177.627 175.800 0.005 0.000 1.159 54 F CA 1.569 59.575 58.000 0.009 0.000 1.171 54 F CB -0.425 38.588 39.000 0.021 0.000 0.971 54 F HN 0.560 nan 8.300 nan 0.000 0.479 55 E N -0.241 119.909 120.200 -0.084 0.000 2.171 55 E HA -0.299 4.052 4.350 0.001 0.000 0.197 55 E C 2.107 178.695 176.600 -0.019 0.000 0.997 55 E CA 1.420 57.739 56.400 -0.135 0.000 0.810 55 E CB -0.344 29.442 29.700 0.143 0.000 0.738 55 E HN 0.619 nan 8.360 nan 0.000 0.467 56 E N 0.515 120.726 120.200 0.018 0.000 2.150 56 E HA -0.160 4.191 4.350 0.001 0.000 0.193 56 E C 1.947 178.535 176.600 -0.019 0.000 0.985 56 E CA 0.893 57.311 56.400 0.029 0.000 0.814 56 E CB 0.013 29.737 29.700 0.041 0.000 0.752 56 E HN 0.228 nan 8.360 nan 0.000 0.466 57 A N 1.499 124.281 122.820 -0.064 0.000 1.898 57 A HA -0.074 4.247 4.320 0.001 0.000 0.214 57 A C 2.231 179.699 177.584 -0.193 0.000 1.183 57 A CA 1.238 53.228 52.037 -0.078 0.000 0.622 57 A CB -0.692 18.310 19.000 0.003 0.000 0.824 57 A HN 0.496 nan 8.150 nan 0.000 0.444 58 I N -4.854 115.466 120.570 -0.416 0.000 2.353 58 I HA -0.013 4.158 4.170 0.001 0.000 0.248 58 I C 1.489 177.269 176.117 -0.561 0.000 1.119 58 I CA 1.306 62.250 61.300 -0.593 0.000 1.417 58 I CB -0.453 36.946 38.000 -1.001 0.000 1.078 58 I HN 0.085 nan 8.210 nan 0.000 0.421 59 F N 2.300 122.092 119.950 -0.262 0.000 2.693 59 F HA 0.142 4.670 4.527 0.001 0.000 0.303 59 F C 2.426 178.171 175.800 -0.092 0.000 1.143 59 F CA 0.212 58.120 58.000 -0.154 0.000 1.389 59 F CB -0.494 38.407 39.000 -0.165 0.000 1.060 59 F HN 0.180 nan 8.300 nan 0.000 0.535 60 S N -0.211 115.486 115.700 -0.006 0.000 2.489 60 S HA -0.138 4.332 4.470 0.001 0.000 0.228 60 S C 1.878 176.459 174.600 -0.031 0.000 0.995 60 S CA 0.437 58.637 58.200 -0.000 0.000 0.934 60 S CB -0.442 62.744 63.200 -0.023 0.000 0.771 60 S HN 0.585 nan 8.310 nan 0.000 0.522 61 K N 0.036 120.356 120.400 -0.133 0.000 2.217 61 K HA -0.011 4.309 4.320 0.001 0.000 0.202 61 K C -0.254 176.263 176.600 -0.137 0.000 1.051 61 K CA 0.440 56.620 56.287 -0.179 0.000 0.952 61 K CB -0.595 31.724 32.500 -0.302 0.000 0.736 61 K HN 0.333 nan 8.250 nan 0.000 0.453 62 Y N 3.132 123.438 120.300 0.010 0.000 2.517 62 Y HA 0.058 4.609 4.550 0.001 0.000 0.341 62 Y C 0.712 176.614 175.900 0.004 0.000 1.247 62 Y CA -1.062 57.041 58.100 0.006 0.000 1.774 62 Y CB -0.483 37.973 38.460 -0.007 0.000 1.641 62 Y HN -0.003 nan 8.280 nan 0.000 0.457 63 V N -0.322 119.674 119.914 0.137 0.000 3.463 63 V HA 0.867 4.988 4.120 0.001 0.000 0.302 63 V C 0.799 176.946 176.094 0.089 0.000 1.097 63 V CA -0.926 61.429 62.300 0.091 0.000 1.003 63 V CB 0.761 32.622 31.823 0.063 0.000 1.229 63 V HN 0.565 nan 8.190 nan 0.000 0.444 64 G N 0.422 109.262 108.800 0.067 0.000 2.403 64 G HA2 0.224 4.184 3.960 0.001 0.000 0.259 64 G HA3 0.224 4.184 3.960 0.001 0.000 0.259 64 G C 0.391 175.331 174.900 0.067 0.000 1.244 64 G CA -0.353 44.782 45.100 0.059 0.000 0.849 64 G HN 0.759 nan 8.290 nan 0.000 0.532 65 N N 1.094 119.834 118.700 0.067 0.000 2.013 65 N HA -0.085 4.656 4.740 0.001 0.000 0.195 65 N C 1.372 176.927 175.510 0.075 0.000 1.051 65 N CA 1.408 54.506 53.050 0.081 0.000 0.851 65 N CB -0.196 38.335 38.487 0.074 0.000 1.044 65 N HN 0.761 nan 8.380 nan 0.000 0.422 66 K N -1.176 119.255 120.400 0.051 0.000 7.194 66 K HA -0.164 4.156 4.320 0.001 0.000 0.213 66 K C 0.204 176.817 176.600 0.021 0.000 1.581 66 K CA 0.786 57.094 56.287 0.035 0.000 0.854 66 K CB -1.545 30.981 32.500 0.044 0.000 0.565 66 K HN 0.290 nan 8.250 nan 0.000 0.470 67 I N 2.299 122.875 120.570 0.010 0.000 2.775 67 I HA -0.034 4.137 4.170 0.001 0.000 0.290 67 I C 1.127 177.228 176.117 -0.027 0.000 1.203 67 I CA 1.465 62.747 61.300 -0.030 0.000 1.433 67 I CB 0.967 38.926 38.000 -0.070 0.000 1.354 67 I HN 0.818 nan 8.210 nan 0.000 0.579 68 T N 1.856 116.385 114.554 -0.043 0.000 2.969 68 T HA 0.315 4.665 4.350 0.001 0.000 0.258 68 T C 0.429 175.097 174.700 -0.053 0.000 0.962 68 T CA -0.314 61.769 62.100 -0.028 0.000 0.903 68 T CB -0.013 68.849 68.868 -0.009 0.000 1.177 68 T HN 0.732 nan 8.240 nan 0.000 0.511 69 E N 1.571 121.726 120.200 -0.076 0.000 2.191 69 E HA 0.513 4.863 4.350 0.001 0.000 0.278 69 E C -0.935 175.599 176.600 -0.109 0.000 0.972 69 E CA -0.757 55.596 56.400 -0.078 0.000 0.804 69 E CB 2.347 32.008 29.700 -0.065 0.000 1.110 69 E HN 0.095 nan 8.360 nan 0.000 0.394 70 V N 4.380 124.237 119.914 -0.094 0.000 2.446 70 V HA -0.038 4.083 4.120 0.001 0.000 0.276 70 V C 0.250 176.301 176.094 -0.071 0.000 1.030 70 V CA -0.051 62.189 62.300 -0.100 0.000 1.033 70 V CB -0.028 31.755 31.823 -0.066 0.000 0.993 70 V HN 0.698 nan 8.190 nan 0.000 0.477 71 D N 3.203 123.570 120.400 -0.054 0.000 2.478 71 D HA 0.215 4.856 4.640 0.001 0.000 0.269 71 D C 0.859 177.118 176.300 -0.069 0.000 1.232 71 D CA -0.601 53.367 54.000 -0.053 0.000 1.059 71 D CB 0.835 41.630 40.800 -0.008 0.000 1.104 71 D HN 0.409 nan 8.370 nan 0.000 0.566 72 E N -1.102 118.986 120.200 -0.186 0.000 2.072 72 E HA -0.137 4.213 4.350 0.001 0.000 0.191 72 E C 1.885 178.400 176.600 -0.143 0.000 0.985 72 E CA 1.261 57.527 56.400 -0.223 0.000 0.801 72 E CB -0.637 28.840 29.700 -0.373 0.000 0.750 72 E HN 0.529 nan 8.360 nan 0.000 0.452 73 Y N 0.522 120.856 120.300 0.057 0.000 2.181 73 Y HA -0.207 4.344 4.550 0.001 0.000 0.288 73 Y C 2.383 178.322 175.900 0.066 0.000 1.146 73 Y CA 0.972 59.112 58.100 0.066 0.000 1.164 73 Y CB -0.381 38.135 38.460 0.092 0.000 0.982 73 Y HN -0.021 nan 8.280 nan 0.000 0.515 74 M N 0.114 119.830 119.600 0.194 0.000 2.080 74 M HA -0.256 4.225 4.480 0.001 0.000 0.260 74 M C 2.103 178.468 176.300 0.108 0.000 1.068 74 M CA 1.827 57.194 55.300 0.110 0.000 1.109 74 M CB -0.366 32.210 32.600 -0.040 0.000 1.342 74 M HN 0.105 nan 8.290 nan 0.000 0.405 75 K N -0.032 120.408 120.400 0.067 0.000 2.063 75 K HA -0.190 4.130 4.320 0.001 0.000 0.208 75 K C 2.003 178.660 176.600 0.095 0.000 1.048 75 K CA 1.372 57.696 56.287 0.062 0.000 0.928 75 K CB -0.140 32.373 32.500 0.022 0.000 0.713 75 K HN 0.354 nan 8.250 nan 0.000 0.442 76 E N 0.229 120.493 120.200 0.106 0.000 2.072 76 E HA -0.170 4.180 4.350 0.001 0.000 0.191 76 E C 1.958 178.665 176.600 0.179 0.000 0.985 76 E CA 0.824 57.302 56.400 0.130 0.000 0.801 76 E CB -0.011 29.763 29.700 0.124 0.000 0.750 76 E HN 0.314 nan 8.360 nan 0.000 0.452 77 A N 0.753 123.687 122.820 0.190 0.000 1.884 77 A HA -0.223 4.098 4.320 0.001 0.000 0.219 77 A C 2.435 180.180 177.584 0.269 0.000 1.197 77 A CA 1.875 54.048 52.037 0.227 0.000 0.637 77 A CB -1.001 18.130 19.000 0.217 0.000 0.827 77 A HN 0.229 nan 8.150 nan 0.000 0.450 78 V N 0.646 120.693 119.914 0.223 0.000 2.287 78 V HA -0.271 3.849 4.120 0.001 0.000 0.248 78 V C 2.178 178.391 176.094 0.198 0.000 1.053 78 V CA 2.414 64.846 62.300 0.219 0.000 1.027 78 V CB -0.807 31.110 31.823 0.157 0.000 0.646 78 V HN 0.557 nan 8.190 nan 0.000 0.447 79 D N -1.489 119.012 120.400 0.169 0.000 2.144 79 D HA -0.160 4.480 4.640 0.001 0.000 0.200 79 D C 2.037 178.432 176.300 0.159 0.000 0.978 79 D CA 1.331 55.413 54.000 0.137 0.000 0.833 79 D CB -0.323 40.547 40.800 0.117 0.000 0.961 79 D HN 0.580 nan 8.370 nan 0.000 0.470 80 H N -0.542 118.608 119.070 0.133 0.000 2.372 80 H HA -0.148 4.409 4.556 0.001 0.000 0.301 80 H C 1.972 177.414 175.328 0.189 0.000 1.065 80 H CA 0.905 57.035 56.048 0.136 0.000 1.364 80 H CB -0.062 29.780 29.762 0.133 0.000 1.406 80 H HN 0.071 nan 8.280 nan 0.000 0.521 81 Y N 1.488 121.818 120.300 0.050 0.000 2.163 81 Y HA -0.110 4.441 4.550 0.001 0.000 0.288 81 Y C 2.737 178.628 175.900 -0.016 0.000 1.136 81 Y CA 1.641 59.746 58.100 0.010 0.000 1.147 81 Y CB -1.000 37.530 38.460 0.117 0.000 0.987 81 Y HN 0.274 nan 8.280 nan 0.000 0.509 82 A N 0.045 122.828 122.820 -0.062 0.000 1.908 82 A HA -0.162 4.159 4.320 0.001 0.000 0.218 82 A C 2.537 180.045 177.584 -0.127 0.000 1.181 82 A CA 1.973 53.930 52.037 -0.134 0.000 0.627 82 A CB -1.680 17.316 19.000 -0.006 0.000 0.818 82 A HN 0.576 nan 8.150 nan 0.000 0.445 83 G N -1.387 107.361 108.800 -0.087 0.000 2.448 83 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 83 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 83 G C 1.588 176.415 174.900 -0.123 0.000 1.127 83 G CA 1.025 46.078 45.100 -0.079 0.000 0.766 83 G HN 0.635 nan 8.290 nan 0.000 0.552 84 Q N -0.440 119.245 119.800 -0.191 0.000 2.049 84 Q HA 0.114 4.454 4.340 0.001 0.000 0.198 84 Q C 2.521 178.424 176.000 -0.161 0.000 0.971 84 Q CA 0.578 56.276 55.803 -0.175 0.000 0.833 84 Q CB -0.162 28.475 28.738 -0.167 0.000 0.896 84 Q HN 0.474 nan 8.270 nan 0.000 0.434 85 L N 0.064 121.143 121.223 -0.240 0.000 2.275 85 L HA -0.155 4.186 4.340 0.001 0.000 0.215 85 L C 2.376 179.180 176.870 -0.111 0.000 1.119 85 L CA 0.320 55.031 54.840 -0.215 0.000 0.790 85 L CB -0.228 41.663 42.059 -0.280 0.000 0.919 85 L HN 0.356 nan 8.230 nan 0.000 0.443 86 M N 0.134 119.681 119.600 -0.088 0.000 2.213 86 M HA -0.172 4.308 4.480 0.001 0.000 0.263 86 M C 2.440 178.721 176.300 -0.032 0.000 1.062 86 M CA 1.815 57.092 55.300 -0.039 0.000 1.105 86 M CB -0.327 32.253 32.600 -0.033 0.000 1.385 86 M HN 0.306 nan 8.290 nan 0.000 0.417 87 S N -1.252 114.419 115.700 -0.048 0.000 2.561 87 S HA 0.011 4.482 4.470 0.001 0.000 0.225 87 S C 1.595 176.175 174.600 -0.034 0.000 0.977 87 S CA 0.426 58.605 58.200 -0.035 0.000 0.926 87 S CB -0.758 62.421 63.200 -0.036 0.000 0.769 87 S HN 0.562 nan 8.310 nan 0.000 0.533 88 L N 0.806 122.001 121.223 -0.047 0.000 2.554 88 L HA 0.161 4.502 4.340 0.001 0.000 0.226 88 L C -0.204 176.658 176.870 -0.014 0.000 1.137 88 L CA 0.039 54.853 54.840 -0.044 0.000 0.863 88 L CB -0.677 41.332 42.059 -0.084 0.000 0.985 88 L HN 0.112 nan 8.230 nan 0.000 0.451 89 D N 1.111 121.510 120.400 -0.002 0.000 2.737 89 D HA -0.173 4.468 4.640 0.001 0.000 0.238 89 D C -0.059 176.263 176.300 0.037 0.000 1.157 89 D CA 0.755 54.765 54.000 0.016 0.000 0.694 89 D CB -1.060 39.745 40.800 0.009 0.000 1.021 89 D HN 0.210 nan 8.370 nan 0.000 0.420 90 I N 0.702 121.312 120.570 0.068 0.000 2.533 90 I HA -0.056 4.114 4.170 0.001 0.000 0.284 90 I C 1.288 177.483 176.117 0.129 0.000 1.109 90 I CA -0.249 61.125 61.300 0.124 0.000 1.412 90 I CB 0.398 38.520 38.000 0.203 0.000 1.396 90 I HN 0.040 nan 8.210 nan 0.000 0.543 91 N N 5.092 123.854 118.700 0.104 0.000 2.434 91 N HA -0.048 4.693 4.740 0.001 0.000 0.268 91 N C 0.836 176.360 175.510 0.024 0.000 1.256 91 N CA 0.211 53.291 53.050 0.050 0.000 0.914 91 N CB 0.769 39.279 38.487 0.038 0.000 1.088 91 N HN 0.692 nan 8.380 nan 0.000 0.478 92 T N -0.256 114.213 114.554 -0.142 0.000 3.122 92 T HA 0.193 4.544 4.350 0.001 0.000 0.250 92 T C 0.452 174.847 174.700 -0.507 0.000 1.067 92 T CA -0.196 61.582 62.100 -0.536 0.000 0.966 92 T CB -0.003 68.581 68.868 -0.473 0.000 1.002 92 T HN 0.425 nan 8.240 nan 0.000 0.542 93 E N 1.823 121.873 120.200 -0.250 0.000 2.373 93 E HA 0.157 4.507 4.350 0.001 0.000 0.263 93 E C -0.013 176.479 176.600 -0.180 0.000 1.073 93 E CA -0.451 55.835 56.400 -0.190 0.000 0.894 93 E CB 0.765 30.401 29.700 -0.106 0.000 1.008 93 E HN 0.427 nan 8.360 nan 0.000 0.420 94 Q N 2.245 121.944 119.800 -0.168 0.000 2.361 94 Q HA 0.022 4.362 4.340 0.001 0.000 0.276 94 Q C -0.503 175.442 176.000 -0.092 0.000 1.022 94 Q CA 0.215 55.929 55.803 -0.148 0.000 0.898 94 Q CB 0.655 29.312 28.738 -0.135 0.000 1.246 94 Q HN 0.467 nan 8.270 nan 0.000 0.410 95 M N 3.909 123.460 119.600 -0.081 0.000 2.211 95 M HA 0.199 4.679 4.480 0.001 0.000 0.356 95 M C -0.362 175.920 176.300 -0.030 0.000 1.216 95 M CA -0.719 54.556 55.300 -0.042 0.000 1.134 95 M CB 0.402 32.983 32.600 -0.033 0.000 1.564 95 M HN 0.911 nan 8.290 nan 0.000 0.463 96 C N 4.137 123.431 119.300 -0.009 0.000 2.676 96 C HA 0.112 4.573 4.460 0.001 0.000 0.416 96 C C 1.724 176.724 174.990 0.017 0.000 1.299 96 C CA -0.977 58.043 59.018 0.004 0.000 2.048 96 C CB -0.245 27.504 27.740 0.015 0.000 2.713 96 C HN 1.105 nan 8.230 nan 0.000 0.624 97 L N 1.475 122.711 121.223 0.021 0.000 2.051 97 L HA -0.177 4.164 4.340 0.001 0.000 0.214 97 L C 2.617 179.516 176.870 0.048 0.000 1.076 97 L CA 2.504 57.360 54.840 0.027 0.000 0.758 97 L CB -1.078 41.000 42.059 0.033 0.000 0.890 97 L HN 0.980 nan 8.230 nan 0.000 0.433 98 E N -0.839 119.414 120.200 0.089 0.000 2.038 98 E HA -0.258 4.093 4.350 0.001 0.000 0.195 98 E C 1.672 178.385 176.600 0.188 0.000 1.000 98 E CA 1.713 58.223 56.400 0.182 0.000 0.803 98 E CB -0.067 29.724 29.700 0.151 0.000 0.750 98 E HN 0.596 nan 8.360 nan 0.000 0.448 99 D N -0.008 120.458 120.400 0.111 0.000 2.183 99 D HA -0.073 4.568 4.640 0.001 0.000 0.203 99 D C 1.743 178.082 176.300 0.065 0.000 0.969 99 D CA 1.081 55.139 54.000 0.097 0.000 0.842 99 D CB -0.298 40.544 40.800 0.069 0.000 0.957 99 D HN 0.269 nan 8.370 nan 0.000 0.484 100 A N 0.499 123.338 122.820 0.033 0.000 1.940 100 A HA -0.180 4.141 4.320 0.001 0.000 0.219 100 A C 2.186 179.755 177.584 -0.025 0.000 1.176 100 A CA 1.417 53.462 52.037 0.013 0.000 0.631 100 A CB -0.443 18.558 19.000 0.002 0.000 0.814 100 A HN 0.175 nan 8.150 nan 0.000 0.446 101 M N -3.059 116.475 119.600 -0.110 0.000 2.248 101 M HA 0.042 4.523 4.480 0.001 0.000 0.265 101 M C 1.577 177.647 176.300 -0.384 0.000 1.079 101 M CA 1.298 56.393 55.300 -0.342 0.000 1.150 101 M CB -0.072 32.122 32.600 -0.677 0.000 1.366 101 M HN 0.506 nan 8.290 nan 0.000 0.433 102 Y N 0.014 120.333 120.300 0.032 0.000 2.444 102 Y HA 0.415 4.966 4.550 0.001 0.000 0.249 102 Y C 1.078 176.998 175.900 0.033 0.000 1.134 102 Y CA 0.017 58.133 58.100 0.027 0.000 1.261 102 Y CB 0.701 39.173 38.460 0.019 0.000 1.143 102 Y HN 0.325 nan 8.280 nan 0.000 0.523 103 G N 0.514 109.402 108.800 0.146 0.000 2.663 103 G HA2 0.053 4.014 3.960 0.001 0.000 0.686 103 G HA3 0.053 4.014 3.960 0.001 0.000 0.686 103 G C -0.651 174.315 174.900 0.109 0.000 1.246 103 G CA -0.252 44.918 45.100 0.117 0.000 0.795 103 G HN 0.211 nan 8.290 nan 0.000 0.627 104 T N -0.985 113.626 114.554 0.096 0.000 2.681 104 T HA 0.546 4.897 4.350 0.001 0.000 0.296 104 T C -0.748 174.000 174.700 0.080 0.000 1.157 104 T CA 0.579 62.727 62.100 0.080 0.000 1.025 104 T CB 1.623 70.534 68.868 0.071 0.000 1.441 104 T HN 1.149 nan 8.240 nan 0.000 0.504 105 D N -0.118 120.322 120.400 0.067 0.000 2.479 105 D HA 0.392 5.033 4.640 0.001 0.000 0.257 105 D C 1.272 177.626 176.300 0.089 0.000 1.230 105 D CA 2.299 56.339 54.000 0.067 0.000 0.912 105 D CB -0.484 40.348 40.800 0.053 0.000 1.130 105 D HN 1.034 nan 8.370 nan 0.000 0.515 106 G N 2.807 111.672 108.800 0.109 0.000 2.195 106 G HA2 -0.193 3.768 3.960 0.001 0.000 0.224 106 G HA3 -0.193 3.768 3.960 0.001 0.000 0.224 106 G C -0.152 174.904 174.900 0.260 0.000 0.990 106 G CA 0.051 45.250 45.100 0.165 0.000 0.639 106 G HN 0.682 nan 8.290 nan 0.000 0.514 107 L N 1.662 123.002 121.223 0.195 0.000 2.491 107 L HA 0.638 4.979 4.340 0.001 0.000 0.267 107 L C -0.075 176.878 176.870 0.137 0.000 0.971 107 L CA -0.986 53.987 54.840 0.222 0.000 0.857 107 L CB 1.236 43.421 42.059 0.210 0.000 1.226 107 L HN 0.110 nan 8.230 nan 0.000 0.408 108 E N 2.616 122.876 120.200 0.100 0.000 2.418 108 E HA 0.290 4.640 4.350 0.001 0.000 0.261 108 E C 0.109 176.752 176.600 0.071 0.000 1.070 108 E CA 0.278 56.716 56.400 0.063 0.000 0.931 108 E CB 0.860 30.574 29.700 0.023 0.000 0.954 108 E HN 0.760 nan 8.360 nan 0.000 0.439 109 A N 2.434 125.294 122.820 0.067 0.000 2.386 109 A HA 0.157 4.478 4.320 0.001 0.000 0.246 109 A C 0.426 178.026 177.584 0.026 0.000 1.089 109 A CA -0.382 51.691 52.037 0.059 0.000 0.790 109 A CB 0.074 19.134 19.000 0.100 0.000 1.042 109 A HN 0.574 nan 8.150 nan 0.000 0.497 110 L N 0.914 122.129 121.223 -0.014 0.000 2.543 110 L HA -0.035 4.306 4.340 0.001 0.000 0.285 110 L C 0.590 177.455 176.870 -0.009 0.000 1.236 110 L CA -0.005 54.823 54.840 -0.020 0.000 0.871 110 L CB 0.124 42.144 42.059 -0.064 0.000 1.121 110 L HN 0.684 nan 8.230 nan 0.000 0.501 111 D N 3.340 123.737 120.400 -0.005 0.000 2.342 111 D HA 0.036 4.677 4.640 0.001 0.000 0.260 111 D C 0.885 177.180 176.300 -0.008 0.000 1.278 111 D CA 0.241 54.239 54.000 -0.004 0.000 0.910 111 D CB 0.850 41.645 40.800 -0.008 0.000 1.079 111 D HN 0.395 nan 8.370 nan 0.000 0.496 112 L N 2.773 123.995 121.223 -0.001 0.000 2.551 112 L HA -0.100 4.241 4.340 0.001 0.000 0.228 112 L C 1.955 178.821 176.870 -0.006 0.000 1.153 112 L CA 0.567 55.406 54.840 -0.002 0.000 0.851 112 L CB -0.155 41.913 42.059 0.015 0.000 0.959 112 L HN 0.358 nan 8.230 nan 0.000 0.451 113 S N -2.369 113.326 115.700 -0.008 0.000 2.556 113 S HA 0.051 4.522 4.470 0.001 0.000 0.216 113 S C 0.797 175.386 174.600 -0.019 0.000 0.970 113 S CA -0.227 57.966 58.200 -0.011 0.000 0.912 113 S CB -0.314 62.879 63.200 -0.011 0.000 0.790 113 S HN 0.353 nan 8.310 nan 0.000 0.504 114 T N -0.779 113.763 114.554 -0.019 0.000 2.950 114 T HA 0.621 4.972 4.350 0.001 0.000 0.288 114 T C -0.044 174.646 174.700 -0.017 0.000 1.035 114 T CA -0.657 61.428 62.100 -0.024 0.000 1.028 114 T CB 1.368 70.223 68.868 -0.021 0.000 1.109 114 T HN 0.071 nan 8.240 nan 0.000 0.514 115 S N -0.307 115.382 115.700 -0.019 0.000 2.563 115 S HA 0.321 4.791 4.470 0.001 0.000 0.284 115 S C 1.449 176.071 174.600 0.036 0.000 1.331 115 S CA -0.143 58.062 58.200 0.010 0.000 1.047 115 S CB -0.207 63.002 63.200 0.014 0.000 0.859 115 S HN 1.023 nan 8.310 nan 0.000 0.514 116 A N 3.918 126.768 122.820 0.051 0.000 2.238 116 A HA 0.494 4.815 4.320 0.001 0.000 0.208 116 A C 1.373 179.070 177.584 0.188 0.000 1.177 116 A CA 0.726 52.800 52.037 0.061 0.000 0.804 116 A CB -1.490 17.486 19.000 -0.041 0.000 0.823 116 A HN 1.974 nan 8.150 nan 0.000 0.482 117 G N -1.323 107.584 108.800 0.179 0.000 2.752 117 G HA2 -0.247 3.714 3.960 0.001 0.000 0.234 117 G HA3 -0.247 3.714 3.960 0.001 0.000 0.234 117 G C -0.129 174.878 174.900 0.179 0.000 1.367 117 G CA -0.051 45.167 45.100 0.198 0.000 0.879 117 G HN 1.173 nan 8.290 nan 0.000 0.563 118 Y N 2.677 122.968 120.300 -0.014 0.000 2.511 118 Y HA 0.435 4.986 4.550 0.001 0.000 0.332 118 Y C -0.518 175.179 175.900 -0.337 0.000 1.177 118 Y CA -0.499 57.504 58.100 -0.162 0.000 1.422 118 Y CB 1.458 39.794 38.460 -0.207 0.000 1.271 118 Y HN 0.331 nan 8.280 nan 0.000 0.550 119 P HA -0.037 nan 4.420 nan 0.000 0.257 119 P C 0.486 177.262 177.300 -0.874 0.000 1.241 119 P CA 0.775 62.864 63.100 -1.685 0.000 0.816 119 P CB 0.136 30.737 31.700 -1.832 0.000 1.150 120 Y N 0.050 120.127 120.300 -0.373 0.000 2.256 120 Y HA -0.142 4.408 4.550 0.001 0.000 0.288 120 Y C 2.626 178.460 175.900 -0.111 0.000 1.155 120 Y CA 0.681 58.660 58.100 -0.201 0.000 1.203 120 Y CB -1.835 36.548 38.460 -0.128 0.000 0.980 120 Y HN -0.163 nan 8.280 nan 0.000 0.530 121 V N -0.089 119.852 119.914 0.046 0.000 2.594 121 V HA -0.230 3.891 4.120 0.001 0.000 0.253 121 V C 2.089 178.209 176.094 0.043 0.000 1.069 121 V CA 1.848 64.195 62.300 0.079 0.000 1.082 121 V CB -0.565 31.342 31.823 0.140 0.000 0.680 121 V HN 0.444 nan 8.190 nan 0.000 0.469 122 A N -0.546 122.257 122.820 -0.028 0.000 2.169 122 A HA 0.214 4.535 4.320 0.001 0.000 0.210 122 A C 1.866 179.432 177.584 -0.030 0.000 1.168 122 A CA 0.755 52.782 52.037 -0.018 0.000 0.813 122 A CB -0.119 18.869 19.000 -0.020 0.000 0.861 122 A HN 0.611 nan 8.150 nan 0.000 0.481 123 M N -1.471 118.097 119.600 -0.053 0.000 2.431 123 M HA 0.343 4.823 4.480 0.001 0.000 0.237 123 M C 1.143 177.456 176.300 0.021 0.000 1.130 123 M CA 0.543 55.831 55.300 -0.019 0.000 1.002 123 M CB 0.135 32.713 32.600 -0.036 0.000 1.524 123 M HN 0.435 nan 8.290 nan 0.000 0.482 124 G N 2.297 111.116 108.800 0.031 0.000 2.176 124 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 124 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 124 G C -0.110 174.818 174.900 0.047 0.000 1.024 124 G CA 0.320 45.444 45.100 0.039 0.000 0.755 124 G HN 0.532 nan 8.290 nan 0.000 0.507 125 K N 0.152 120.594 120.400 0.070 0.000 2.130 125 K HA 0.596 4.916 4.320 0.001 0.000 0.268 125 K C 0.444 177.069 176.600 0.042 0.000 0.983 125 K CA -0.599 55.729 56.287 0.069 0.000 0.893 125 K CB 0.644 33.224 32.500 0.133 0.000 1.066 125 K HN 0.220 nan 8.250 nan 0.000 0.450 126 K N 2.307 122.704 120.400 -0.004 0.000 2.281 126 K HA 0.266 4.587 4.320 0.001 0.000 0.242 126 K C 0.507 177.064 176.600 -0.073 0.000 0.971 126 K CA -0.931 55.342 56.287 -0.023 0.000 0.834 126 K CB 1.625 34.121 32.500 -0.007 0.000 1.181 126 K HN 0.387 nan 8.250 nan 0.000 0.435 127 K N 1.163 121.519 120.400 -0.073 0.000 2.074 127 K HA -0.192 4.129 4.320 0.001 0.000 0.209 127 K C 1.747 178.312 176.600 -0.058 0.000 1.048 127 K CA 1.645 57.877 56.287 -0.093 0.000 0.926 127 K CB -0.024 32.437 32.500 -0.064 0.000 0.713 127 K HN 0.410 nan 8.250 nan 0.000 0.444 128 R N 0.741 121.225 120.500 -0.027 0.000 2.159 128 R HA -0.121 4.219 4.340 0.001 0.000 0.237 128 R C 1.479 177.778 176.300 -0.002 0.000 1.131 128 R CA 1.218 57.316 56.100 -0.003 0.000 0.982 128 R CB -0.214 30.087 30.300 0.003 0.000 0.868 128 R HN 0.275 nan 8.270 nan 0.000 0.453 129 D N 0.251 120.640 120.400 -0.017 0.000 2.269 129 D HA -0.040 4.601 4.640 0.001 0.000 0.208 129 D C 1.738 178.028 176.300 -0.017 0.000 0.963 129 D CA 0.952 54.946 54.000 -0.011 0.000 0.864 129 D CB 0.159 40.953 40.800 -0.010 0.000 0.936 129 D HN 0.299 nan 8.370 nan 0.000 0.505 130 I N -0.520 120.024 120.570 -0.044 0.000 3.039 130 I HA -0.002 4.168 4.170 0.001 0.000 0.270 130 I C 0.377 176.497 176.117 0.005 0.000 1.150 130 I CA 0.086 61.356 61.300 -0.049 0.000 1.448 130 I CB 0.430 38.343 38.000 -0.146 0.000 1.197 130 I HN -0.171 nan 8.210 nan 0.000 0.450 131 L N 1.030 122.266 121.223 0.020 0.000 2.344 131 L HA 0.376 4.716 4.340 0.001 0.000 0.272 131 L C -0.080 176.897 176.870 0.178 0.000 1.035 131 L CA 0.029 54.944 54.840 0.125 0.000 0.807 131 L CB 0.821 42.911 42.059 0.052 0.000 1.237 131 L HN 0.055 nan 8.230 nan 0.000 0.442 132 N N 1.124 119.999 118.700 0.292 0.000 2.581 132 N HA 0.176 4.917 4.740 0.001 0.000 0.279 132 N C 0.082 175.570 175.510 -0.037 0.000 1.124 132 N CA -0.296 52.818 53.050 0.105 0.000 0.833 132 N CB 1.195 39.700 38.487 0.030 0.000 1.338 132 N HN 0.546 nan 8.380 nan 0.000 0.533 133 K N 1.289 121.704 120.400 0.025 0.000 2.147 133 K HA -0.185 4.136 4.320 0.001 0.000 0.205 133 K C 1.345 177.826 176.600 -0.199 0.000 1.049 133 K CA 1.224 57.464 56.287 -0.079 0.000 0.936 133 K CB 0.294 32.825 32.500 0.052 0.000 0.722 133 K HN 0.458 nan 8.250 nan 0.000 0.446 134 Q N 0.908 120.634 119.800 -0.124 0.000 2.083 134 Q HA -0.107 4.233 4.340 0.001 0.000 0.198 134 Q C 1.877 177.792 176.000 -0.143 0.000 0.969 134 Q CA 2.349 58.089 55.803 -0.105 0.000 0.838 134 Q CB -0.283 28.420 28.738 -0.058 0.000 0.900 134 Q HN 0.363 nan 8.270 nan 0.000 0.436 135 T N -3.038 111.419 114.554 -0.162 0.000 3.035 135 T HA 0.148 4.499 4.350 0.001 0.000 0.259 135 T C 0.388 174.935 174.700 -0.256 0.000 1.078 135 T CA 0.375 62.382 62.100 -0.155 0.000 1.132 135 T CB -0.110 68.702 68.868 -0.093 0.000 0.900 135 T HN 0.434 nan 8.240 nan 0.000 0.480 136 R N 1.431 121.617 120.500 -0.523 0.000 3.531 136 R HA -0.130 4.211 4.340 0.001 0.000 0.280 136 R C -0.907 175.218 176.300 -0.291 0.000 1.130 136 R CA 0.621 56.150 56.100 -0.951 0.000 0.757 136 R CB -2.357 27.581 30.300 -0.602 0.000 1.218 136 R HN 0.617 nan 8.270 nan 0.000 0.454 137 D N -0.105 120.236 120.400 -0.098 0.000 2.389 137 D HA 0.093 4.734 4.640 0.001 0.000 0.247 137 D C 1.335 177.757 176.300 0.203 0.000 1.128 137 D CA 0.763 54.798 54.000 0.059 0.000 0.884 137 D CB 1.048 41.872 40.800 0.040 0.000 1.194 137 D HN 0.229 nan 8.370 nan 0.000 0.441 138 T N -0.161 114.480 114.554 0.146 0.000 3.010 138 T HA 0.125 4.475 4.350 0.001 0.000 0.257 138 T C 1.491 176.239 174.700 0.079 0.000 1.020 138 T CA -0.185 61.996 62.100 0.134 0.000 0.938 138 T CB -0.018 68.919 68.868 0.116 0.000 1.049 138 T HN 0.289 nan 8.240 nan 0.000 0.522 139 K N 1.222 121.660 120.400 0.064 0.000 2.044 139 K HA -0.180 4.141 4.320 0.001 0.000 0.210 139 K C 2.274 178.900 176.600 0.044 0.000 1.049 139 K CA 2.011 58.325 56.287 0.045 0.000 0.927 139 K CB -0.129 32.393 32.500 0.036 0.000 0.713 139 K HN 0.376 nan 8.250 nan 0.000 0.443 140 E N 0.737 120.966 120.200 0.047 0.000 2.150 140 E HA -0.172 4.179 4.350 0.001 0.000 0.193 140 E C 1.869 178.493 176.600 0.041 0.000 0.985 140 E CA 1.025 57.451 56.400 0.042 0.000 0.814 140 E CB -0.020 29.702 29.700 0.036 0.000 0.752 140 E HN 0.096 nan 8.360 nan 0.000 0.466 141 M N 0.212 119.833 119.600 0.035 0.000 2.132 141 M HA -0.091 4.389 4.480 0.001 0.000 0.263 141 M C 2.112 178.442 176.300 0.049 0.000 1.065 141 M CA 1.694 57.009 55.300 0.025 0.000 1.122 141 M CB -0.404 32.196 32.600 -0.000 0.000 1.365 141 M HN 0.117 nan 8.290 nan 0.000 0.411 142 Q N 0.582 120.409 119.800 0.046 0.000 2.061 142 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 142 Q C 2.050 178.077 176.000 0.045 0.000 0.984 142 Q CA 2.458 58.287 55.803 0.044 0.000 0.846 142 Q CB -0.499 28.262 28.738 0.038 0.000 0.902 142 Q HN 0.621 nan 8.270 nan 0.000 0.421 143 K N -0.377 120.048 120.400 0.043 0.000 2.032 143 K HA -0.160 4.161 4.320 0.001 0.000 0.209 143 K C 2.024 178.655 176.600 0.053 0.000 1.048 143 K CA 1.603 57.912 56.287 0.036 0.000 0.927 143 K CB -0.316 32.205 32.500 0.035 0.000 0.712 143 K HN 0.343 nan 8.250 nan 0.000 0.441 144 L N 0.973 122.262 121.223 0.109 0.000 2.131 144 L HA -0.181 4.160 4.340 0.001 0.000 0.210 144 L C 2.450 179.448 176.870 0.214 0.000 1.092 144 L CA 0.869 55.843 54.840 0.224 0.000 0.759 144 L CB -0.355 41.882 42.059 0.297 0.000 0.903 144 L HN 0.272 nan 8.230 nan 0.000 0.435 145 L N -0.587 120.718 121.223 0.137 0.000 2.056 145 L HA -0.201 4.140 4.340 0.001 0.000 0.207 145 L C 2.212 179.123 176.870 0.067 0.000 1.078 145 L CA 1.011 55.920 54.840 0.116 0.000 0.749 145 L CB -0.533 41.578 42.059 0.087 0.000 0.901 145 L HN 0.254 nan 8.230 nan 0.000 0.433 146 D N -0.627 119.792 120.400 0.032 0.000 2.117 146 D HA -0.143 4.498 4.640 0.001 0.000 0.197 146 D C 2.174 178.436 176.300 -0.063 0.000 0.987 146 D CA 1.610 55.606 54.000 -0.007 0.000 0.829 146 D CB -0.204 40.590 40.800 -0.011 0.000 0.961 146 D HN 0.235 nan 8.370 nan 0.000 0.460 147 T N -0.606 113.873 114.554 -0.125 0.000 2.812 147 T HA -0.100 4.251 4.350 0.001 0.000 0.264 147 T C 1.293 175.698 174.700 -0.491 0.000 1.042 147 T CA 0.938 62.819 62.100 -0.364 0.000 1.140 147 T CB -0.123 68.406 68.868 -0.565 0.000 0.870 147 T HN 0.205 nan 8.240 nan 0.000 0.445 148 Y N 0.337 120.650 120.300 0.022 0.000 2.426 148 Y HA 0.448 4.999 4.550 0.001 0.000 0.249 148 Y C 1.719 177.629 175.900 0.016 0.000 1.103 148 Y CA -0.290 57.813 58.100 0.005 0.000 1.256 148 Y CB -0.022 38.416 38.460 -0.038 0.000 1.208 148 Y HN 0.360 nan 8.280 nan 0.000 0.519 149 G N 1.994 110.870 108.800 0.127 0.000 2.601 149 G HA2 -0.303 3.657 3.960 0.001 0.000 0.261 149 G HA3 -0.303 3.657 3.960 0.001 0.000 0.261 149 G C 0.012 174.960 174.900 0.080 0.000 1.289 149 G CA 0.104 45.250 45.100 0.076 0.000 0.920 149 G HN 0.472 nan 8.290 nan 0.000 0.571 150 I N -3.555 117.021 120.570 0.010 0.000 3.540 150 I HA 0.749 4.920 4.170 0.001 0.000 0.288 150 I C 0.915 176.962 176.117 -0.116 0.000 1.169 150 I CA -0.384 60.899 61.300 -0.029 0.000 1.038 150 I CB 1.603 39.570 38.000 -0.055 0.000 1.338 150 I HN 0.706 nan 8.210 nan 0.000 0.507 151 N N 0.782 119.377 118.700 -0.175 0.000 2.747 151 N HA -0.124 4.617 4.740 0.001 0.000 0.249 151 N C -0.642 174.781 175.510 -0.145 0.000 1.107 151 N CA 0.584 53.501 53.050 -0.221 0.000 0.707 151 N CB -1.141 37.121 38.487 -0.376 0.000 1.054 151 N HN 0.472 nan 8.380 nan 0.000 0.555 152 L N 0.816 121.991 121.223 -0.080 0.000 2.464 152 L HA 0.345 4.685 4.340 0.001 0.000 0.264 152 L C -1.339 175.399 176.870 -0.220 0.000 1.199 152 L CA -1.254 53.539 54.840 -0.079 0.000 0.818 152 L CB -0.041 42.065 42.059 0.077 0.000 1.102 152 L HN -0.066 nan 8.230 nan 0.000 0.473 153 P HA 0.219 nan 4.420 nan 0.000 0.274 153 P C -0.999 176.059 177.300 -0.404 0.000 1.237 153 P CA -0.416 62.352 63.100 -0.555 0.000 0.793 153 P CB 0.840 31.968 31.700 -0.954 0.000 0.977 154 L N 1.232 122.210 121.223 -0.407 0.000 2.343 154 L HA 0.317 4.658 4.340 0.001 0.000 0.275 154 L C 0.146 176.939 176.870 -0.129 0.000 1.056 154 L CA -0.665 54.054 54.840 -0.201 0.000 0.804 154 L CB 1.251 43.210 42.059 -0.166 0.000 1.203 154 L HN 0.107 nan 8.230 nan 0.000 0.440 155 V N 1.090 121.001 119.914 -0.004 0.000 2.383 155 V HA 0.300 4.421 4.120 0.001 0.000 0.275 155 V C 0.281 176.348 176.094 -0.046 0.000 1.036 155 V CA -0.595 61.677 62.300 -0.046 0.000 0.889 155 V CB 1.106 32.932 31.823 0.004 0.000 0.985 155 V HN 0.756 nan 8.190 nan 0.000 0.459 156 T N 5.701 120.223 114.554 -0.054 0.000 2.780 156 T HA 0.538 4.888 4.350 0.001 0.000 0.294 156 T C -0.751 173.871 174.700 -0.129 0.000 0.949 156 T CA 0.293 62.427 62.100 0.058 0.000 1.074 156 T CB 0.031 69.050 68.868 0.251 0.000 0.910 156 T HN 0.486 nan 8.240 nan 0.000 0.501 157 Y N 0.827 121.232 120.300 0.176 0.000 2.570 157 Y HA 0.538 5.088 4.550 0.001 0.000 0.345 157 Y C -0.012 175.942 175.900 0.090 0.000 1.014 157 Y CA -1.286 56.911 58.100 0.162 0.000 1.063 157 Y CB 1.310 39.840 38.460 0.116 0.000 1.272 157 Y HN 0.261 nan 8.280 nan 0.000 0.477 158 V N 2.078 122.157 119.914 0.275 0.000 2.546 158 V HA 0.204 4.324 4.120 0.001 0.000 0.284 158 V C -0.056 176.117 176.094 0.131 0.000 1.050 158 V CA -1.156 61.237 62.300 0.156 0.000 0.981 158 V CB 1.202 33.151 31.823 0.209 0.000 0.990 158 V HN 0.592 nan 8.190 nan 0.000 0.474 159 K N 2.928 123.369 120.400 0.068 0.000 2.339 159 K HA 0.110 4.431 4.320 0.001 0.000 0.286 159 K C -0.241 176.364 176.600 0.010 0.000 1.050 159 K CA -0.430 55.876 56.287 0.032 0.000 0.956 159 K CB 0.382 32.885 32.500 0.004 0.000 0.990 159 K HN 0.706 nan 8.250 nan 0.000 0.475 160 D N 4.928 125.326 120.400 -0.004 0.000 2.359 160 D HA 0.043 4.684 4.640 0.001 0.000 0.250 160 D C -0.821 175.443 176.300 -0.060 0.000 1.264 160 D CA 0.236 54.218 54.000 -0.030 0.000 0.911 160 D CB 0.259 41.044 40.800 -0.025 0.000 1.056 160 D HN 0.650 nan 8.370 nan 0.000 0.499 161 E N 1.792 121.939 120.200 -0.088 0.000 2.439 161 E HA 0.350 4.700 4.350 0.001 0.000 0.279 161 E C -0.963 175.531 176.600 -0.176 0.000 1.077 161 E CA -0.979 55.351 56.400 -0.117 0.000 0.849 161 E CB 0.490 30.138 29.700 -0.088 0.000 1.408 161 E HN 0.136 nan 8.360 nan 0.000 0.457 162 L N 1.212 122.310 121.223 -0.209 0.000 2.349 162 L HA 0.492 4.832 4.340 0.001 0.000 0.275 162 L C 0.091 176.863 176.870 -0.163 0.000 1.115 162 L CA -0.605 54.072 54.840 -0.272 0.000 0.820 162 L CB 0.412 42.284 42.059 -0.311 0.000 1.135 162 L HN 0.393 nan 8.230 nan 0.000 0.445 163 R N 1.186 121.597 120.500 -0.148 0.000 2.795 163 R HA 0.398 4.739 4.340 0.001 0.000 0.275 163 R C -0.366 175.901 176.300 -0.057 0.000 0.981 163 R CA -0.759 55.291 56.100 -0.083 0.000 0.917 163 R CB 1.914 32.175 30.300 -0.065 0.000 1.202 163 R HN 0.758 nan 8.270 nan 0.000 0.469 164 S N 0.656 116.339 115.700 -0.028 0.000 2.611 164 S HA 0.052 4.522 4.470 0.001 0.000 0.252 164 S C 1.061 175.662 174.600 0.002 0.000 1.369 164 S CA -0.095 58.102 58.200 -0.004 0.000 0.975 164 S CB 0.857 64.059 63.200 0.003 0.000 0.937 164 S HN 0.525 nan 8.310 nan 0.000 0.584 165 K N 0.319 120.730 120.400 0.018 0.000 2.025 165 K HA -0.077 4.244 4.320 0.001 0.000 0.207 165 K C 2.534 179.144 176.600 0.016 0.000 1.049 165 K CA 1.698 57.999 56.287 0.022 0.000 0.933 165 K CB -0.908 31.613 32.500 0.035 0.000 0.714 165 K HN 0.930 nan 8.250 nan 0.000 0.438 166 T N -0.097 114.467 114.554 0.016 0.000 2.915 166 T HA -0.031 4.320 4.350 0.001 0.000 0.269 166 T C 1.649 176.356 174.700 0.012 0.000 1.071 166 T CA 0.745 62.854 62.100 0.015 0.000 1.132 166 T CB 0.043 68.920 68.868 0.015 0.000 0.878 166 T HN -0.002 nan 8.240 nan 0.000 0.479 167 K N 0.846 121.249 120.400 0.006 0.000 2.228 167 K HA 0.165 4.485 4.320 0.001 0.000 0.202 167 K C 2.292 178.897 176.600 0.008 0.000 1.051 167 K CA 0.525 56.815 56.287 0.004 0.000 0.960 167 K CB -0.498 31.997 32.500 -0.007 0.000 0.743 167 K HN 0.348 nan 8.250 nan 0.000 0.458 168 V N 1.636 121.550 119.914 -0.000 0.000 2.346 168 V HA -0.161 3.960 4.120 0.001 0.000 0.244 168 V C 2.056 178.151 176.094 0.001 0.000 1.037 168 V CA 1.499 63.794 62.300 -0.008 0.000 1.029 168 V CB -0.340 31.473 31.823 -0.017 0.000 0.663 168 V HN 0.313 nan 8.190 nan 0.000 0.454 169 E N -0.129 120.076 120.200 0.010 0.000 2.110 169 E HA -0.215 4.135 4.350 0.001 0.000 0.193 169 E C 1.885 178.501 176.600 0.026 0.000 0.988 169 E CA 0.970 57.380 56.400 0.015 0.000 0.804 169 E CB -0.081 29.630 29.700 0.018 0.000 0.745 169 E HN 0.474 nan 8.360 nan 0.000 0.458 170 Q N -0.498 119.320 119.800 0.031 0.000 2.280 170 Q HA 0.089 4.430 4.340 0.001 0.000 0.202 170 Q C 0.843 176.884 176.000 0.069 0.000 0.903 170 Q CA 0.538 56.366 55.803 0.041 0.000 0.948 170 Q CB 0.821 29.576 28.738 0.028 0.000 1.058 170 Q HN 0.411 nan 8.270 nan 0.000 0.493 171 G N 1.821 110.678 108.800 0.095 0.000 2.269 171 G HA2 -0.340 3.620 3.960 0.001 0.000 0.277 171 G HA3 -0.340 3.620 3.960 0.001 0.000 0.277 171 G C 0.146 175.152 174.900 0.177 0.000 1.008 171 G CA 0.488 45.715 45.100 0.212 0.000 0.774 171 G HN 0.323 nan 8.290 nan 0.000 0.511 172 K N 1.259 121.703 120.400 0.074 0.000 2.480 172 K HA 0.313 4.634 4.320 0.001 0.000 0.241 172 K C 0.419 177.030 176.600 0.019 0.000 1.261 172 K CA -0.054 56.243 56.287 0.018 0.000 1.193 172 K CB 0.210 32.708 32.500 -0.004 0.000 1.598 172 K HN 0.276 nan 8.250 nan 0.000 0.278 173 S N 1.171 116.909 115.700 0.062 0.000 2.586 173 S HA 0.288 4.759 4.470 0.001 0.000 0.274 173 S C 0.213 174.788 174.600 -0.041 0.000 1.281 173 S CA -0.740 57.488 58.200 0.046 0.000 1.035 173 S CB 1.176 64.477 63.200 0.167 0.000 0.962 173 S HN 0.391 nan 8.310 nan 0.000 0.512 174 R N 1.402 121.878 120.500 -0.041 0.000 2.490 174 R HA 0.391 4.732 4.340 0.001 0.000 0.280 174 R C -0.677 175.579 176.300 -0.074 0.000 1.077 174 R CA 0.006 56.065 56.100 -0.068 0.000 1.065 174 R CB 0.196 30.469 30.300 -0.045 0.000 1.003 174 R HN 0.541 nan 8.270 nan 0.000 0.470 175 L N 4.543 125.697 121.223 -0.115 0.000 2.334 175 L HA 0.484 4.824 4.340 0.001 0.000 0.275 175 L C -0.151 176.715 176.870 -0.007 0.000 1.036 175 L CA -0.671 54.110 54.840 -0.098 0.000 0.807 175 L CB 1.376 43.313 42.059 -0.202 0.000 1.231 175 L HN 0.525 nan 8.230 nan 0.000 0.438 176 I N 2.069 122.680 120.570 0.068 0.000 2.530 176 I HA 0.257 4.428 4.170 0.001 0.000 0.297 176 I C -0.523 175.701 176.117 0.178 0.000 1.011 176 I CA -0.682 60.691 61.300 0.121 0.000 1.107 176 I CB 2.019 40.110 38.000 0.151 0.000 1.285 176 I HN 0.491 nan 8.210 nan 0.000 0.436 177 E N 5.504 125.810 120.200 0.176 0.000 2.101 177 E HA 0.375 4.726 4.350 0.001 0.000 0.260 177 E C -0.599 176.116 176.600 0.191 0.000 0.897 177 E CA -0.622 55.905 56.400 0.212 0.000 0.744 177 E CB 1.762 31.609 29.700 0.246 0.000 1.140 177 E HN 0.580 nan 8.360 nan 0.000 0.419 178 A N 2.893 125.855 122.820 0.235 0.000 2.444 178 A HA 0.152 4.473 4.320 0.001 0.000 0.287 178 A C 0.714 178.384 177.584 0.144 0.000 1.195 178 A CA -0.086 52.082 52.037 0.218 0.000 0.858 178 A CB 0.071 19.281 19.000 0.351 0.000 1.117 178 A HN 0.406 nan 8.150 nan 0.000 0.521 179 S N 2.871 118.640 115.700 0.116 0.000 2.562 179 S HA 0.282 4.752 4.470 0.001 0.000 0.281 179 S C 0.776 175.442 174.600 0.110 0.000 1.333 179 S CA 0.064 58.321 58.200 0.095 0.000 1.052 179 S CB 0.415 63.674 63.200 0.098 0.000 0.884 179 S HN 1.070 nan 8.310 nan 0.000 0.506 180 S N 3.132 118.897 115.700 0.107 0.000 2.572 180 S HA 0.095 4.566 4.470 0.001 0.000 0.279 180 S C 1.264 175.955 174.600 0.153 0.000 1.341 180 S CA -0.649 57.641 58.200 0.151 0.000 1.043 180 S CB 0.354 63.639 63.200 0.142 0.000 0.887 180 S HN 0.774 nan 8.310 nan 0.000 0.516 181 L N 4.958 126.291 121.223 0.184 0.000 2.042 181 L HA -0.094 4.247 4.340 0.001 0.000 0.210 181 L C 1.796 178.734 176.870 0.114 0.000 1.076 181 L CA 2.090 56.989 54.840 0.097 0.000 0.749 181 L CB -1.383 40.657 42.059 -0.030 0.000 0.893 181 L HN 0.740 nan 8.230 nan 0.000 0.432 182 N N 0.083 118.895 118.700 0.187 0.000 2.069 182 N HA -0.186 4.554 4.740 0.001 0.000 0.191 182 N C 1.609 177.203 175.510 0.140 0.000 1.031 182 N CA 1.686 54.835 53.050 0.165 0.000 0.852 182 N CB -0.469 38.137 38.487 0.198 0.000 1.018 182 N HN 0.458 nan 8.380 nan 0.000 0.423 183 D N -0.107 120.375 120.400 0.136 0.000 2.117 183 D HA -0.036 4.605 4.640 0.001 0.000 0.197 183 D C 1.735 178.145 176.300 0.183 0.000 0.987 183 D CA 0.832 54.921 54.000 0.149 0.000 0.829 183 D CB -0.106 40.763 40.800 0.116 0.000 0.961 183 D HN 0.153 nan 8.370 nan 0.000 0.460 184 S N 0.208 115.997 115.700 0.149 0.000 2.368 184 S HA -0.105 4.366 4.470 0.001 0.000 0.225 184 S C 2.320 177.002 174.600 0.137 0.000 1.030 184 S CA 0.473 58.761 58.200 0.146 0.000 0.999 184 S CB -0.172 63.089 63.200 0.101 0.000 0.844 184 S HN 0.084 nan 8.310 nan 0.000 0.459 185 V N 1.798 121.773 119.914 0.102 0.000 2.427 185 V HA -0.169 3.952 4.120 0.001 0.000 0.248 185 V C 2.585 178.738 176.094 0.098 0.000 1.051 185 V CA 1.635 63.978 62.300 0.072 0.000 1.048 185 V CB -1.090 30.758 31.823 0.041 0.000 0.666 185 V HN 0.535 nan 8.190 nan 0.000 0.456 186 A N -0.734 122.179 122.820 0.155 0.000 1.898 186 A HA -0.187 4.133 4.320 0.001 0.000 0.216 186 A C 2.229 179.926 177.584 0.188 0.000 1.181 186 A CA 1.790 53.954 52.037 0.212 0.000 0.620 186 A CB -0.436 18.765 19.000 0.336 0.000 0.819 186 A HN 0.381 nan 8.150 nan 0.000 0.442 187 M N -0.547 119.218 119.600 0.275 0.000 2.086 187 M HA -0.104 4.377 4.480 0.001 0.000 0.261 187 M C 2.179 178.565 176.300 0.143 0.000 1.067 187 M CA 1.584 57.070 55.300 0.309 0.000 1.116 187 M CB -1.165 31.706 32.600 0.452 0.000 1.348 187 M HN 0.387 nan 8.290 nan 0.000 0.407 188 R N -0.790 119.791 120.500 0.134 0.000 2.148 188 R HA -0.005 4.336 4.340 0.001 0.000 0.227 188 R C 2.198 178.455 176.300 -0.072 0.000 1.103 188 R CA 0.993 57.117 56.100 0.040 0.000 0.983 188 R CB -0.171 30.201 30.300 0.120 0.000 0.874 188 R HN 0.363 nan 8.270 nan 0.000 0.451 189 M N -0.681 118.878 119.600 -0.069 0.000 2.254 189 M HA -0.041 4.440 4.480 0.001 0.000 0.265 189 M C 2.208 178.368 176.300 -0.232 0.000 1.066 189 M CA 1.308 56.543 55.300 -0.108 0.000 1.123 189 M CB 0.012 32.577 32.600 -0.058 0.000 1.388 189 M HN 0.265 nan 8.290 nan 0.000 0.425 190 A N -0.404 122.169 122.820 -0.413 0.000 1.861 190 A HA -0.027 4.294 4.320 0.001 0.000 0.212 190 A C 1.267 178.452 177.584 -0.665 0.000 1.199 190 A CA 1.174 52.752 52.037 -0.765 0.000 0.613 190 A CB -0.390 17.721 19.000 -1.480 0.000 0.846 190 A HN 0.456 nan 8.150 nan 0.000 0.446 191 F N -0.274 119.543 119.950 -0.222 0.000 2.661 191 F HA 0.288 4.815 4.527 0.001 0.000 0.306 191 F C 2.160 177.518 175.800 -0.737 0.000 1.094 191 F CA -0.318 57.455 58.000 -0.378 0.000 1.254 191 F CB -0.378 38.332 39.000 -0.483 0.000 1.040 191 F HN 0.228 nan 8.300 nan 0.000 0.562 192 G N 0.678 109.251 108.800 -0.378 0.000 2.469 192 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 192 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 192 G C 1.686 176.533 174.900 -0.090 0.000 1.150 192 G CA 0.992 45.931 45.100 -0.269 0.000 0.763 192 G HN 0.235 nan 8.290 nan 0.000 0.561 193 N N -0.044 118.665 118.700 0.017 0.000 2.459 193 N HA -0.014 4.727 4.740 0.001 0.000 0.181 193 N C 1.957 177.566 175.510 0.166 0.000 1.046 193 N CA 0.487 53.600 53.050 0.105 0.000 0.904 193 N CB 0.062 38.620 38.487 0.118 0.000 0.964 193 N HN 0.329 nan 8.380 nan 0.000 0.444 194 L N 0.096 121.400 121.223 0.135 0.000 2.068 194 L HA -0.016 4.325 4.340 0.001 0.000 0.204 194 L C 1.757 178.692 176.870 0.108 0.000 1.076 194 L CA 1.351 56.227 54.840 0.059 0.000 0.753 194 L CB -0.700 41.188 42.059 -0.285 0.000 0.910 194 L HN -0.036 nan 8.230 nan 0.000 0.439 195 Y N 0.411 120.631 120.300 -0.133 0.000 2.114 195 Y HA -0.204 4.346 4.550 0.001 0.000 0.282 195 Y C 2.705 178.313 175.900 -0.487 0.000 1.165 195 Y CA 0.828 58.697 58.100 -0.386 0.000 1.148 195 Y CB -1.763 36.517 38.460 -0.301 0.000 0.972 195 Y HN 0.327 nan 8.280 nan 0.000 0.504 196 A N 0.185 122.995 122.820 -0.017 0.000 1.877 196 A HA -0.099 4.221 4.320 0.001 0.000 0.216 196 A C 2.587 180.201 177.584 0.049 0.000 1.186 196 A CA 2.133 54.186 52.037 0.026 0.000 0.620 196 A CB -1.257 17.794 19.000 0.085 0.000 0.822 196 A HN 0.391 nan 8.150 nan 0.000 0.443 197 A N -1.035 121.835 122.820 0.084 0.000 1.892 197 A HA -0.130 4.191 4.320 0.001 0.000 0.218 197 A C 1.983 179.587 177.584 0.033 0.000 1.188 197 A CA 1.831 53.910 52.037 0.070 0.000 0.631 197 A CB -0.858 18.198 19.000 0.093 0.000 0.822 197 A HN 0.475 nan 8.150 nan 0.000 0.447 198 F N -0.358 119.543 119.950 -0.082 0.000 2.134 198 F HA -0.158 4.370 4.527 0.001 0.000 0.299 198 F C 2.410 178.215 175.800 0.009 0.000 1.097 198 F CA 2.024 59.984 58.000 -0.067 0.000 1.264 198 F CB -0.711 38.216 39.000 -0.122 0.000 1.001 198 F HN 0.416 nan 8.300 nan 0.000 0.479 199 H N -0.851 118.317 119.070 0.163 0.000 2.423 199 H HA -0.072 4.484 4.556 0.001 0.000 0.297 199 H C 1.722 177.069 175.328 0.031 0.000 1.075 199 H CA 0.912 57.001 56.048 0.068 0.000 1.342 199 H CB -0.055 29.743 29.762 0.060 0.000 1.395 199 H HN 0.192 nan 8.280 nan 0.000 0.530 200 K N 0.444 120.930 120.400 0.143 0.000 2.459 200 K HA 0.026 4.346 4.320 0.001 0.000 0.193 200 K C 0.144 176.766 176.600 0.037 0.000 1.030 200 K CA 0.310 56.643 56.287 0.077 0.000 1.026 200 K CB 0.444 32.981 32.500 0.062 0.000 0.809 200 K HN 0.312 nan 8.250 nan 0.000 0.504 201 N N 1.373 120.080 118.700 0.011 0.000 2.646 201 N HA 0.135 4.876 4.740 0.001 0.000 0.303 201 N C -2.880 172.616 175.510 -0.024 0.000 1.921 201 N CA -0.905 52.130 53.050 -0.025 0.000 0.872 201 N CB 1.322 39.754 38.487 -0.092 0.000 1.327 201 N HN 0.038 nan 8.380 nan 0.000 0.492 202 P HA 0.225 nan 4.420 nan 0.000 0.267 202 P C 0.520 177.926 177.300 0.176 0.000 1.205 202 P CA 0.781 63.874 63.100 -0.012 0.000 0.765 202 P CB 1.233 32.772 31.700 -0.269 0.000 0.828 203 G N 1.022 109.976 108.800 0.257 0.000 2.350 203 G HA2 0.091 4.052 3.960 0.001 0.000 0.276 203 G HA3 0.091 4.052 3.960 0.001 0.000 0.276 203 G C 0.200 175.196 174.900 0.160 0.000 1.313 203 G CA -0.161 45.116 45.100 0.295 0.000 0.903 203 G HN 0.378 nan 8.290 nan 0.000 0.490 204 V N -0.650 119.327 119.914 0.104 0.000 3.649 204 V HA 0.337 4.458 4.120 0.001 0.000 0.275 204 V C 1.865 178.000 176.094 0.068 0.000 1.281 204 V CA 0.781 63.125 62.300 0.074 0.000 1.143 204 V CB -0.438 31.414 31.823 0.048 0.000 0.892 204 V HN 0.592 nan 8.190 nan 0.000 0.441 205 I N 2.410 123.004 120.570 0.039 0.000 2.364 205 I HA -0.067 4.104 4.170 0.001 0.000 0.241 205 I C 2.887 178.995 176.117 -0.016 0.000 1.082 205 I CA 2.118 63.420 61.300 0.003 0.000 1.401 205 I CB -1.740 36.238 38.000 -0.037 0.000 1.126 205 I HN 0.533 nan 8.210 nan 0.000 0.429 206 T N -0.690 113.803 114.554 -0.102 0.000 2.915 206 T HA 0.013 4.364 4.350 0.001 0.000 0.269 206 T C 1.636 176.432 174.700 0.159 0.000 1.071 206 T CA 0.901 62.879 62.100 -0.203 0.000 1.132 206 T CB -0.754 67.758 68.868 -0.595 0.000 0.878 206 T HN 0.558 nan 8.240 nan 0.000 0.479 207 G N 0.579 109.462 108.800 0.138 0.000 2.221 207 G HA2 -0.183 3.777 3.960 0.001 0.000 0.265 207 G HA3 -0.183 3.777 3.960 0.001 0.000 0.265 207 G C 0.013 175.010 174.900 0.162 0.000 1.041 207 G CA 0.412 45.600 45.100 0.146 0.000 0.807 207 G HN 1.067 nan 8.290 nan 0.000 0.502 208 S N -1.354 114.448 115.700 0.171 0.000 2.541 208 S HA 0.782 5.253 4.470 0.001 0.000 0.280 208 S C 0.751 175.433 174.600 0.136 0.000 1.112 208 S CA 0.481 58.784 58.200 0.171 0.000 0.925 208 S CB 1.699 65.077 63.200 0.297 0.000 1.067 208 S HN 1.599 nan 8.310 nan 0.000 0.479 209 A N 3.483 126.382 122.820 0.132 0.000 2.308 209 A HA 0.414 4.734 4.320 0.001 0.000 0.217 209 A C 0.347 177.875 177.584 -0.093 0.000 1.216 209 A CA -0.042 52.066 52.037 0.117 0.000 0.864 209 A CB -0.246 19.070 19.000 0.526 0.000 0.902 209 A HN 0.737 nan 8.150 nan 0.000 0.499 210 V N 0.410 120.122 119.914 -0.338 0.000 2.540 210 V HA 0.390 4.510 4.120 0.001 0.000 0.297 210 V C 1.603 177.656 176.094 -0.069 0.000 1.024 210 V CA 1.317 63.421 62.300 -0.326 0.000 1.105 210 V CB -0.009 31.645 31.823 -0.281 0.000 0.938 210 V HN 1.086 nan 8.190 nan 0.000 0.482 211 G N 2.746 111.506 108.800 -0.067 0.000 2.176 211 G HA2 -0.242 3.719 3.960 0.001 0.000 0.232 211 G HA3 -0.242 3.719 3.960 0.001 0.000 0.232 211 G C 0.394 175.230 174.900 -0.107 0.000 0.986 211 G CA -0.020 45.037 45.100 -0.071 0.000 0.643 211 G HN 1.341 nan 8.290 nan 0.000 0.522 212 C N 0.240 119.437 119.300 -0.172 0.000 2.443 212 C HA 0.754 5.215 4.460 0.001 0.000 0.369 212 C C 0.180 175.124 174.990 -0.078 0.000 1.241 212 C CA -0.511 58.331 59.018 -0.293 0.000 2.413 212 C CB 1.702 28.974 27.740 -0.780 0.000 2.451 212 C HN 0.470 nan 8.230 nan 0.000 0.595 213 D N 2.669 123.072 120.400 0.006 0.000 2.461 213 D HA 0.406 5.047 4.640 0.001 0.000 0.240 213 D C -1.680 174.718 176.300 0.164 0.000 1.094 213 D CA -2.135 51.900 54.000 0.058 0.000 0.868 213 D CB 1.489 42.316 40.800 0.046 0.000 1.062 213 D HN 0.315 nan 8.370 nan 0.000 0.530 214 P HA -0.134 nan 4.420 nan 0.000 0.216 214 P C 0.794 178.119 177.300 0.041 0.000 1.150 214 P CA 0.870 63.990 63.100 0.033 0.000 0.843 214 P CB 0.354 31.684 31.700 -0.616 0.000 0.787 215 D N -1.014 119.401 120.400 0.024 0.000 2.203 215 D HA -0.148 4.493 4.640 0.001 0.000 0.199 215 D C 1.818 178.345 176.300 0.379 0.000 0.997 215 D CA 1.169 55.298 54.000 0.215 0.000 0.863 215 D CB -0.330 40.657 40.800 0.312 0.000 0.928 215 D HN 0.271 nan 8.370 nan 0.000 0.458 216 L N -1.528 119.841 121.223 0.244 0.000 2.425 216 L HA 0.091 4.432 4.340 0.001 0.000 0.215 216 L C 1.974 179.096 176.870 0.421 0.000 1.065 216 L CA -0.078 54.865 54.840 0.172 0.000 0.842 216 L CB -0.022 42.037 42.059 0.000 0.000 1.033 216 L HN -0.126 nan 8.230 nan 0.000 0.474 217 F N -0.204 119.946 119.950 0.333 0.000 2.367 217 F HA -0.078 4.449 4.527 0.001 0.000 0.298 217 F C 2.142 178.242 175.800 0.500 0.000 1.094 217 F CA 0.957 59.188 58.000 0.384 0.000 1.409 217 F CB -0.140 39.106 39.000 0.409 0.000 1.064 217 F HN 0.071 nan 8.300 nan 0.000 0.528 218 W N 0.154 121.594 121.300 0.234 0.000 2.350 218 W HA -0.238 4.423 4.660 0.001 0.000 0.289 218 W C 2.269 178.875 176.519 0.145 0.000 1.215 218 W CA 1.276 58.729 57.345 0.180 0.000 1.236 218 W CB -0.373 29.123 29.460 0.061 0.000 1.130 218 W HN -0.040 nan 8.180 nan 0.000 0.541 219 S N -0.492 115.412 115.700 0.340 0.000 2.453 219 S HA -0.111 4.359 4.470 0.001 0.000 0.231 219 S C 1.579 176.193 174.600 0.024 0.000 1.005 219 S CA 0.883 59.185 58.200 0.170 0.000 0.949 219 S CB -0.100 63.215 63.200 0.191 0.000 0.774 219 S HN 0.243 nan 8.310 nan 0.000 0.510 220 K N 0.919 121.295 120.400 -0.040 0.000 2.211 220 K HA 0.207 4.528 4.320 0.001 0.000 0.201 220 K C 1.807 178.246 176.600 -0.267 0.000 1.052 220 K CA 0.383 56.581 56.287 -0.149 0.000 0.973 220 K CB -0.038 32.345 32.500 -0.195 0.000 0.766 220 K HN 0.272 nan 8.250 nan 0.000 0.466 221 I N 1.546 121.898 120.570 -0.364 0.000 2.127 221 I HA -0.210 3.961 4.170 0.001 0.000 0.241 221 I C -1.000 174.983 176.117 -0.224 0.000 1.075 221 I CA 1.234 62.324 61.300 -0.350 0.000 1.334 221 I CB -0.973 36.819 38.000 -0.347 0.000 1.040 221 I HN 0.089 nan 8.210 nan 0.000 0.405 222 P HA -0.110 nan 4.420 nan 0.000 0.218 222 P C 1.890 179.067 177.300 -0.205 0.000 1.148 222 P CA 1.100 63.926 63.100 -0.457 0.000 0.822 222 P CB 0.007 31.164 31.700 -0.904 0.000 0.784 223 V N -0.817 118.993 119.914 -0.174 0.000 2.490 223 V HA -0.193 3.928 4.120 0.001 0.000 0.250 223 V C 2.282 178.331 176.094 -0.075 0.000 1.061 223 V CA 1.580 63.815 62.300 -0.107 0.000 1.064 223 V CB -1.084 30.687 31.823 -0.087 0.000 0.670 223 V HN 0.105 nan 8.190 nan 0.000 0.461 224 L N -1.252 119.920 121.223 -0.085 0.000 2.341 224 L HA 0.081 4.422 4.340 0.001 0.000 0.214 224 L C 1.189 178.036 176.870 -0.039 0.000 1.115 224 L CA 0.323 55.127 54.840 -0.059 0.000 0.820 224 L CB -0.158 41.854 42.059 -0.079 0.000 0.944 224 L HN 0.276 nan 8.230 nan 0.000 0.452 225 M N 0.199 119.785 119.600 -0.022 0.000 2.255 225 M HA 0.143 4.624 4.480 0.001 0.000 0.336 225 M C 0.577 176.877 176.300 0.001 0.000 1.135 225 M CA 0.186 55.483 55.300 -0.004 0.000 1.145 225 M CB 0.742 33.377 32.600 0.059 0.000 1.473 225 M HN -0.014 nan 8.290 nan 0.000 0.462 226 E N 1.176 121.358 120.200 -0.029 0.000 2.421 226 E HA 0.007 4.358 4.350 0.001 0.000 0.253 226 E C 0.870 177.450 176.600 -0.034 0.000 1.277 226 E CA -0.273 56.088 56.400 -0.065 0.000 0.968 226 E CB 0.459 30.083 29.700 -0.127 0.000 1.040 226 E HN 0.436 nan 8.360 nan 0.000 0.512 227 E N 0.350 120.508 120.200 -0.070 0.000 2.153 227 E HA -0.100 4.251 4.350 0.001 0.000 0.194 227 E C -0.149 176.439 176.600 -0.020 0.000 0.988 227 E CA 1.230 57.615 56.400 -0.025 0.000 0.811 227 E CB 0.255 29.917 29.700 -0.063 0.000 0.746 227 E HN 0.142 nan 8.360 nan 0.000 0.466 228 K N 0.849 121.224 120.400 -0.042 0.000 2.483 228 K HA 0.360 4.681 4.320 0.001 0.000 0.256 228 K C -0.048 176.542 176.600 -0.018 0.000 0.961 228 K CA -0.385 55.886 56.287 -0.027 0.000 0.873 228 K CB 1.540 34.051 32.500 0.019 0.000 1.107 228 K HN -0.043 nan 8.250 nan 0.000 0.432 229 L N 3.644 124.774 121.223 -0.154 0.000 2.439 229 L HA 0.527 4.868 4.340 0.001 0.000 0.261 229 L C 0.202 177.079 176.870 0.012 0.000 1.153 229 L CA -0.743 53.957 54.840 -0.233 0.000 0.808 229 L CB 0.071 41.789 42.059 -0.568 0.000 1.126 229 L HN 0.488 nan 8.230 nan 0.000 0.460 230 F N -0.092 119.753 119.950 -0.175 0.000 2.668 230 F HA 0.936 5.464 4.527 0.001 0.000 0.309 230 F C -0.744 174.988 175.800 -0.114 0.000 1.117 230 F CA -0.904 57.042 58.000 -0.091 0.000 0.951 230 F CB 1.501 40.496 39.000 -0.009 0.000 1.323 230 F HN 0.600 nan 8.300 nan 0.000 0.451 231 A N 1.414 124.242 122.820 0.014 0.000 2.540 231 A HA 0.906 5.227 4.320 0.001 0.000 0.291 231 A C -1.920 175.711 177.584 0.078 0.000 1.083 231 A CA -0.339 51.565 52.037 -0.222 0.000 0.650 231 A CB 1.403 20.208 19.000 -0.326 0.000 1.292 231 A HN 1.921 nan 8.150 nan 0.000 0.435 232 F N -1.680 118.238 119.950 -0.054 0.000 2.842 232 F HA 0.727 5.254 4.527 0.001 0.000 0.319 232 F C -1.672 174.037 175.800 -0.152 0.000 1.159 232 F CA -1.044 56.925 58.000 -0.051 0.000 0.902 232 F CB 0.412 39.439 39.000 0.046 0.000 1.311 232 F HN 0.395 nan 8.300 nan 0.000 0.453 233 D N 0.121 120.588 120.400 0.111 0.000 2.272 233 D HA 0.401 5.042 4.640 0.001 0.000 0.247 233 D C -1.387 174.968 176.300 0.092 0.000 0.990 233 D CA -0.115 53.908 54.000 0.038 0.000 0.931 233 D CB 1.648 42.464 40.800 0.026 0.000 1.195 233 D HN 0.518 nan 8.370 nan 0.000 0.477 234 Y N -0.241 120.191 120.300 0.220 0.000 2.387 234 Y HA 0.309 4.860 4.550 0.001 0.000 0.336 234 Y C 0.857 176.844 175.900 0.145 0.000 1.067 234 Y CA -0.586 57.654 58.100 0.233 0.000 1.114 234 Y CB 1.559 40.210 38.460 0.317 0.000 1.208 234 Y HN 0.003 nan 8.280 nan 0.000 0.458 235 T N 2.428 117.147 114.554 0.274 0.000 2.728 235 T HA 0.406 4.757 4.350 0.001 0.000 0.296 235 T C 0.449 175.251 174.700 0.171 0.000 0.940 235 T CA -0.068 62.136 62.100 0.173 0.000 1.013 235 T CB 0.322 69.259 68.868 0.115 0.000 0.912 235 T HN 1.047 nan 8.240 nan 0.000 0.484 236 G N 2.772 111.653 108.800 0.136 0.000 2.367 236 G HA2 -0.304 3.656 3.960 0.001 0.000 0.295 236 G HA3 -0.304 3.656 3.960 0.001 0.000 0.295 236 G C 0.370 175.338 174.900 0.113 0.000 1.019 236 G CA 0.375 45.531 45.100 0.094 0.000 1.224 236 G HN 0.857 nan 8.290 nan 0.000 0.510 237 Y N 0.339 120.637 120.300 -0.003 0.000 2.014 237 Y HA -0.210 4.340 4.550 0.001 0.000 0.270 237 Y C 2.432 178.264 175.900 -0.114 0.000 1.145 237 Y CA 2.442 60.467 58.100 -0.124 0.000 1.106 237 Y CB -0.111 38.221 38.460 -0.213 0.000 0.968 237 Y HN 0.468 nan 8.280 nan 0.000 0.484 238 D N 0.026 120.443 120.400 0.029 0.000 2.103 238 D HA -0.269 4.371 4.640 0.001 0.000 0.190 238 D C 2.237 178.522 176.300 -0.025 0.000 0.997 238 D CA 1.846 55.834 54.000 -0.021 0.000 0.833 238 D CB -0.626 40.237 40.800 0.105 0.000 0.961 238 D HN 0.495 nan 8.370 nan 0.000 0.447 239 A N 0.949 123.767 122.820 -0.004 0.000 2.042 239 A HA -0.213 4.108 4.320 0.001 0.000 0.222 239 A C 2.229 179.829 177.584 0.026 0.000 1.167 239 A CA 2.465 54.504 52.037 0.004 0.000 0.649 239 A CB -0.483 18.490 19.000 -0.044 0.000 0.809 239 A HN 0.354 nan 8.150 nan 0.000 0.457 240 S N -1.175 114.514 115.700 -0.019 0.000 2.575 240 S HA 0.289 4.760 4.470 0.001 0.000 0.215 240 S C 0.468 175.067 174.600 -0.002 0.000 0.966 240 S CA -0.389 57.813 58.200 0.003 0.000 0.911 240 S CB -0.441 62.764 63.200 0.008 0.000 0.780 240 S HN 0.356 nan 8.310 nan 0.000 0.514 241 L N 4.099 125.282 121.223 -0.067 0.000 2.485 241 L HA 0.211 4.552 4.340 0.001 0.000 0.279 241 L C 0.860 177.869 176.870 0.232 0.000 1.124 241 L CA -0.449 54.361 54.840 -0.051 0.000 0.888 241 L CB 0.150 42.048 42.059 -0.267 0.000 1.217 241 L HN 0.430 nan 8.230 nan 0.000 0.464 242 S N 3.748 119.649 115.700 0.336 0.000 2.614 242 S HA 0.266 4.737 4.470 0.001 0.000 0.265 242 S C -1.739 173.041 174.600 0.301 0.000 1.303 242 S CA -1.198 57.168 58.200 0.276 0.000 1.000 242 S CB 1.159 64.480 63.200 0.201 0.000 0.935 242 S HN 0.351 nan 8.310 nan 0.000 0.551 243 P HA -0.048 nan 4.420 nan 0.000 0.218 243 P C 1.571 178.967 177.300 0.160 0.000 1.148 243 P CA 1.828 65.085 63.100 0.261 0.000 0.822 243 P CB -0.287 31.491 31.700 0.129 0.000 0.784 244 A N -1.392 121.424 122.820 -0.007 0.000 1.948 244 A HA -0.196 4.124 4.320 0.001 0.000 0.220 244 A C 2.028 179.492 177.584 -0.201 0.000 1.177 244 A CA 1.564 53.502 52.037 -0.164 0.000 0.636 244 A CB -1.901 16.902 19.000 -0.328 0.000 0.815 244 A HN 0.256 nan 8.150 nan 0.000 0.449 245 W N -1.519 119.755 121.300 -0.042 0.000 2.388 245 W HA -0.068 4.593 4.660 0.001 0.000 0.294 245 W C 1.900 178.271 176.519 -0.247 0.000 1.212 245 W CA 0.507 57.732 57.345 -0.200 0.000 1.271 245 W CB -0.454 28.777 29.460 -0.381 0.000 1.126 245 W HN 0.353 nan 8.180 nan 0.000 0.535 246 F N 0.080 120.133 119.950 0.171 0.000 2.206 246 F HA -0.115 4.413 4.527 0.001 0.000 0.298 246 F C 2.305 178.122 175.800 0.028 0.000 1.090 246 F CA 1.447 59.489 58.000 0.069 0.000 1.323 246 F CB -1.008 38.014 39.000 0.037 0.000 1.028 246 F HN -0.210 nan 8.300 nan 0.000 0.492 247 E N 0.702 121.012 120.200 0.184 0.000 2.077 247 E HA -0.171 4.180 4.350 0.001 0.000 0.193 247 E C 2.257 178.900 176.600 0.071 0.000 0.989 247 E CA 1.349 57.804 56.400 0.091 0.000 0.800 247 E CB -0.431 29.295 29.700 0.043 0.000 0.746 247 E HN 0.232 nan 8.360 nan 0.000 0.452 248 A N 0.367 123.227 122.820 0.066 0.000 1.902 248 A HA -0.161 4.160 4.320 0.001 0.000 0.217 248 A C 2.184 179.841 177.584 0.121 0.000 1.181 248 A CA 1.549 53.642 52.037 0.093 0.000 0.623 248 A CB -0.849 18.230 19.000 0.131 0.000 0.818 248 A HN 0.373 nan 8.150 nan 0.000 0.443 249 L N 0.046 121.336 121.223 0.112 0.000 1.989 249 L HA -0.198 4.143 4.340 0.001 0.000 0.211 249 L C 2.233 179.127 176.870 0.041 0.000 1.071 249 L CA 2.548 57.431 54.840 0.072 0.000 0.749 249 L CB -0.683 41.383 42.059 0.012 0.000 0.890 249 L HN 0.383 nan 8.230 nan 0.000 0.431 250 K N -1.094 119.331 120.400 0.042 0.000 2.113 250 K HA -0.226 4.094 4.320 0.001 0.000 0.208 250 K C 2.047 178.687 176.600 0.067 0.000 1.047 250 K CA 2.207 58.520 56.287 0.044 0.000 0.928 250 K CB -0.336 32.196 32.500 0.052 0.000 0.716 250 K HN 0.404 nan 8.250 nan 0.000 0.446 251 M N 0.092 119.735 119.600 0.072 0.000 2.175 251 M HA -0.146 4.335 4.480 0.001 0.000 0.264 251 M C 2.140 178.493 176.300 0.087 0.000 1.063 251 M CA 1.153 56.499 55.300 0.076 0.000 1.119 251 M CB -0.089 32.554 32.600 0.072 0.000 1.377 251 M HN -0.046 nan 8.290 nan 0.000 0.415 252 V N 0.838 120.812 119.914 0.100 0.000 2.343 252 V HA -0.248 3.873 4.120 0.001 0.000 0.247 252 V C 2.268 178.413 176.094 0.085 0.000 1.051 252 V CA 1.576 63.934 62.300 0.096 0.000 1.036 252 V CB -0.633 31.272 31.823 0.136 0.000 0.654 252 V HN 0.459 nan 8.190 nan 0.000 0.451 253 L N -0.289 120.985 121.223 0.086 0.000 2.046 253 L HA -0.210 4.131 4.340 0.001 0.000 0.208 253 L C 2.567 179.560 176.870 0.205 0.000 1.077 253 L CA 1.764 56.687 54.840 0.137 0.000 0.747 253 L CB -0.724 41.410 42.059 0.126 0.000 0.896 253 L HN 0.386 nan 8.230 nan 0.000 0.432 254 E N 0.333 120.622 120.200 0.147 0.000 2.077 254 E HA -0.220 4.130 4.350 0.001 0.000 0.193 254 E C 2.158 178.826 176.600 0.113 0.000 0.989 254 E CA 1.138 57.614 56.400 0.127 0.000 0.800 254 E CB -0.049 29.704 29.700 0.089 0.000 0.746 254 E HN 0.408 nan 8.360 nan 0.000 0.452 255 K N 0.726 121.185 120.400 0.097 0.000 2.147 255 K HA -0.095 4.226 4.320 0.001 0.000 0.205 255 K C 2.124 178.777 176.600 0.087 0.000 1.049 255 K CA 1.195 57.528 56.287 0.076 0.000 0.936 255 K CB -0.192 32.343 32.500 0.059 0.000 0.722 255 K HN 0.374 nan 8.250 nan 0.000 0.446 256 I N -3.301 117.349 120.570 0.132 0.000 3.861 256 I HA 0.276 4.447 4.170 0.001 0.000 0.329 256 I C 0.625 176.897 176.117 0.259 0.000 1.321 256 I CA 0.310 61.712 61.300 0.171 0.000 1.126 256 I CB 0.217 38.318 38.000 0.168 0.000 1.018 256 I HN 0.190 nan 8.210 nan 0.000 0.407 257 G N 1.339 110.259 108.800 0.200 0.000 2.163 257 G HA2 -0.266 3.694 3.960 0.001 0.000 0.213 257 G HA3 -0.266 3.694 3.960 0.001 0.000 0.213 257 G C 0.032 174.917 174.900 -0.026 0.000 0.991 257 G CA -0.045 45.097 45.100 0.070 0.000 0.653 257 G HN 0.396 nan 8.290 nan 0.000 0.518 258 F N 1.720 121.713 119.950 0.073 0.000 2.668 258 F HA 0.410 4.938 4.527 0.001 0.000 0.297 258 F C 2.208 178.063 175.800 0.093 0.000 1.124 258 F CA 0.222 58.280 58.000 0.096 0.000 1.353 258 F CB 0.388 39.523 39.000 0.225 0.000 0.992 258 F HN 0.158 nan 8.300 nan 0.000 0.524 259 G N 0.503 109.407 108.800 0.172 0.000 2.450 259 G HA2 -0.294 3.667 3.960 0.001 0.000 0.220 259 G HA3 -0.294 3.667 3.960 0.001 0.000 0.220 259 G C 1.451 176.410 174.900 0.098 0.000 1.130 259 G CA 1.268 46.445 45.100 0.127 0.000 0.760 259 G HN 0.435 nan 8.290 nan 0.000 0.557 260 D N 0.656 121.092 120.400 0.059 0.000 2.363 260 D HA -0.077 4.563 4.640 0.001 0.000 0.220 260 D C 1.803 178.142 176.300 0.064 0.000 0.994 260 D CA 0.297 54.321 54.000 0.039 0.000 0.890 260 D CB -0.216 40.580 40.800 -0.007 0.000 0.906 260 D HN 0.480 nan 8.370 nan 0.000 0.530 261 R N 0.915 121.473 120.500 0.097 0.000 2.596 261 R HA 0.180 4.521 4.340 0.001 0.000 0.369 261 R C 1.791 178.293 176.300 0.338 0.000 1.042 261 R CA 0.172 56.349 56.100 0.128 0.000 1.120 261 R CB -0.548 29.581 30.300 -0.285 0.000 1.353 261 R HN 0.146 nan 8.270 nan 0.000 0.564 262 V N 0.032 120.102 119.914 0.259 0.000 2.720 262 V HA -0.248 3.873 4.120 0.001 0.000 0.256 262 V C 1.753 177.921 176.094 0.122 0.000 1.082 262 V CA 1.949 64.372 62.300 0.204 0.000 1.101 262 V CB -0.553 31.344 31.823 0.124 0.000 0.693 262 V HN 0.178 nan 8.190 nan 0.000 0.479 263 D N -0.028 120.419 120.400 0.078 0.000 2.149 263 D HA -0.319 4.322 4.640 0.001 0.000 0.194 263 D C 2.013 178.149 176.300 -0.274 0.000 1.001 263 D CA 2.269 56.182 54.000 -0.145 0.000 0.849 263 D CB -0.786 39.932 40.800 -0.136 0.000 0.939 263 D HN 0.610 nan 8.370 nan 0.000 0.449 264 Y N 0.817 121.100 120.300 -0.028 0.000 2.207 264 Y HA -0.176 4.374 4.550 0.001 0.000 0.287 264 Y C 2.663 178.643 175.900 0.134 0.000 1.156 264 Y CA 0.341 58.566 58.100 0.209 0.000 1.182 264 Y CB -0.058 38.688 38.460 0.477 0.000 0.979 264 Y HN -0.061 nan 8.280 nan 0.000 0.521 265 I N 0.070 120.750 120.570 0.184 0.000 2.226 265 I HA -0.290 3.881 4.170 0.001 0.000 0.245 265 I C 1.787 177.873 176.117 -0.052 0.000 1.100 265 I CA 1.409 62.710 61.300 0.003 0.000 1.374 265 I CB -1.237 36.721 38.000 -0.070 0.000 1.057 265 I HN 0.283 nan 8.210 nan 0.000 0.413 266 D N 0.081 120.419 120.400 -0.103 0.000 2.117 266 D HA -0.200 4.440 4.640 0.001 0.000 0.197 266 D C 2.253 178.532 176.300 -0.035 0.000 0.987 266 D CA 1.220 55.144 54.000 -0.126 0.000 0.829 266 D CB -0.300 40.390 40.800 -0.183 0.000 0.961 266 D HN 0.272 nan 8.370 nan 0.000 0.460 267 Y N 1.359 121.669 120.300 0.017 0.000 2.114 267 Y HA -0.144 4.406 4.550 0.001 0.000 0.282 267 Y C 2.601 178.503 175.900 0.003 0.000 1.165 267 Y CA 0.335 58.441 58.100 0.011 0.000 1.148 267 Y CB -1.104 37.318 38.460 -0.063 0.000 0.972 267 Y HN -0.023 nan 8.280 nan 0.000 0.504 268 L N -0.132 121.185 121.223 0.157 0.000 2.043 268 L HA -0.308 4.033 4.340 0.001 0.000 0.212 268 L C 1.737 178.575 176.870 -0.054 0.000 1.075 268 L CA 1.960 56.831 54.840 0.052 0.000 0.752 268 L CB -0.791 41.290 42.059 0.036 0.000 0.891 268 L HN 0.322 nan 8.230 nan 0.000 0.432 269 N N -1.850 116.775 118.700 -0.125 0.000 2.573 269 N HA -0.137 4.603 4.740 0.001 0.000 0.187 269 N C 0.587 176.096 175.510 -0.001 0.000 1.107 269 N CA 0.170 53.112 53.050 -0.180 0.000 0.918 269 N CB 0.042 38.397 38.487 -0.220 0.000 0.966 269 N HN 0.342 nan 8.380 nan 0.000 0.448 270 H N 0.293 119.325 119.070 -0.063 0.000 2.917 270 H HA 0.228 4.785 4.556 0.001 0.000 0.279 270 H C -1.320 173.968 175.328 -0.067 0.000 1.211 270 H CA -0.499 55.514 56.048 -0.058 0.000 1.534 270 H CB 0.521 30.292 29.762 0.014 0.000 1.581 270 H HN 0.010 nan 8.280 nan 0.000 0.510 271 S N 3.365 118.830 115.700 -0.392 0.000 2.568 271 S HA 0.470 4.941 4.470 0.001 0.000 0.293 271 S C -1.117 173.040 174.600 -0.739 0.000 1.089 271 S CA -0.883 57.062 58.200 -0.425 0.000 0.945 271 S CB 2.283 65.310 63.200 -0.289 0.000 1.077 271 S HN 0.627 nan 8.310 nan 0.000 0.485 272 H N 0.713 119.367 119.070 -0.692 0.000 2.492 272 H HA 0.627 5.184 4.556 0.001 0.000 0.345 272 H C -0.505 174.241 175.328 -0.970 0.000 1.136 272 H CA -0.452 55.170 56.048 -0.709 0.000 1.202 272 H CB 1.047 30.525 29.762 -0.473 0.000 1.524 272 H HN 0.623 nan 8.280 nan 0.000 0.506 273 H N 2.259 120.910 119.070 -0.698 0.000 2.667 273 H HA 0.284 4.841 4.556 0.001 0.000 0.353 273 H C -0.665 174.373 175.328 -0.485 0.000 1.072 273 H CA -0.672 54.950 56.048 -0.709 0.000 1.214 273 H CB 2.085 31.116 29.762 -1.219 0.000 1.600 273 H HN 0.368 nan 8.280 nan 0.000 0.527 274 L N 3.974 125.090 121.223 -0.177 0.000 2.262 274 L HA 0.162 4.503 4.340 0.001 0.000 0.288 274 L C -0.876 176.070 176.870 0.126 0.000 1.035 274 L CA -0.660 54.145 54.840 -0.059 0.000 0.820 274 L CB 0.409 42.363 42.059 -0.175 0.000 1.204 274 L HN 0.496 nan 8.230 nan 0.000 0.424 275 Y N 5.626 125.994 120.300 0.113 0.000 2.575 275 Y HA 0.310 4.861 4.550 0.001 0.000 0.326 275 Y C 0.492 176.446 175.900 0.090 0.000 0.979 275 Y CA -0.936 57.247 58.100 0.139 0.000 1.286 275 Y CB 0.207 38.879 38.460 0.352 0.000 1.093 275 Y HN 0.623 nan 8.280 nan 0.000 0.501 276 K N 1.783 122.026 120.400 -0.262 0.000 3.004 276 K HA -0.360 3.961 4.320 0.001 0.000 0.165 276 K C 0.369 176.913 176.600 -0.094 0.000 0.948 276 K CA 2.064 58.199 56.287 -0.254 0.000 0.428 276 K CB -1.089 31.148 32.500 -0.439 0.000 0.735 276 K HN 0.743 nan 8.250 nan 0.000 0.723 277 N N 1.716 120.370 118.700 -0.076 0.000 2.230 277 N HA 0.092 4.832 4.740 0.001 0.000 0.202 277 N C -0.640 174.896 175.510 0.044 0.000 1.119 277 N CA 0.161 53.211 53.050 -0.001 0.000 0.851 277 N CB 0.553 39.039 38.487 -0.002 0.000 0.990 277 N HN 0.122 nan 8.380 nan 0.000 0.497 278 K N 0.150 120.588 120.400 0.063 0.000 2.259 278 K HA 0.436 4.757 4.320 0.001 0.000 0.252 278 K C -0.719 176.003 176.600 0.204 0.000 0.936 278 K CA -0.363 56.004 56.287 0.134 0.000 0.810 278 K CB 1.921 34.497 32.500 0.127 0.000 1.143 278 K HN -0.050 nan 8.250 nan 0.000 0.427 279 T N 2.713 117.409 114.554 0.236 0.000 2.823 279 T HA 0.568 4.919 4.350 0.001 0.000 0.279 279 T C -0.736 174.089 174.700 0.210 0.000 0.998 279 T CA -0.556 61.682 62.100 0.229 0.000 0.994 279 T CB 0.393 69.468 68.868 0.345 0.000 0.960 279 T HN 0.502 nan 8.240 nan 0.000 0.448 280 Y N -0.759 119.400 120.300 -0.234 0.000 2.638 280 Y HA 0.807 5.358 4.550 0.001 0.000 0.339 280 Y C -0.608 174.755 175.900 -0.895 0.000 1.084 280 Y CA -1.534 56.209 58.100 -0.595 0.000 1.068 280 Y CB 0.815 38.986 38.460 -0.480 0.000 1.294 280 Y HN 0.749 nan 8.280 nan 0.000 0.480 281 C N 1.983 120.591 119.300 -1.154 0.000 2.561 281 C HA 0.924 5.385 4.460 0.001 0.000 0.319 281 C C -1.176 173.419 174.990 -0.658 0.000 1.198 281 C CA -0.414 57.907 59.018 -1.162 0.000 1.665 281 C CB 0.923 27.757 27.740 -1.510 0.000 2.258 281 C HN 0.779 nan 8.230 nan 0.000 0.493 282 V N 5.654 125.263 119.914 -0.509 0.000 2.638 282 V HA 0.536 4.657 4.120 0.001 0.000 0.306 282 V C -0.454 175.542 176.094 -0.164 0.000 1.052 282 V CA -0.575 61.541 62.300 -0.307 0.000 0.885 282 V CB 1.783 33.443 31.823 -0.272 0.000 0.999 282 V HN 0.842 nan 8.190 nan 0.000 0.424 283 K N 2.623 122.980 120.400 -0.072 0.000 2.221 283 K HA 0.726 5.047 4.320 0.001 0.000 0.258 283 K C 0.316 176.925 176.600 0.015 0.000 0.944 283 K CA 0.209 56.502 56.287 0.011 0.000 0.823 283 K CB 1.884 34.404 32.500 0.033 0.000 1.113 283 K HN 1.163 nan 8.250 nan 0.000 0.431 284 G N 1.324 110.124 108.800 0.001 0.000 2.781 284 G HA2 0.134 4.095 3.960 0.001 0.000 0.683 284 G HA3 0.134 4.095 3.960 0.001 0.000 0.683 284 G C 0.102 174.997 174.900 -0.008 0.000 1.390 284 G CA -0.336 44.767 45.100 0.005 0.000 0.850 284 G HN 1.041 nan 8.290 nan 0.000 0.557 285 G N -0.946 107.873 108.800 0.032 0.000 2.855 285 G HA2 0.308 4.269 3.960 0.001 0.000 0.352 285 G HA3 0.308 4.269 3.960 0.001 0.000 0.352 285 G C -0.050 174.781 174.900 -0.114 0.000 1.415 285 G CA 0.724 45.889 45.100 0.108 0.000 0.871 285 G HN 2.421 nan 8.290 nan 0.000 0.543 286 M N 0.826 120.480 119.600 0.091 0.000 2.224 286 M HA 0.555 5.036 4.480 0.001 0.000 0.281 286 M C -2.660 173.733 176.300 0.154 0.000 1.025 286 M CA -1.810 53.537 55.300 0.079 0.000 0.954 286 M CB 2.200 34.927 32.600 0.212 0.000 1.639 286 M HN 0.426 nan 8.290 nan 0.000 0.461 287 P HA 0.232 nan 4.420 nan 0.000 0.271 287 P C 0.105 177.497 177.300 0.153 0.000 1.216 287 P CA -0.309 62.900 63.100 0.182 0.000 0.776 287 P CB 0.953 32.782 31.700 0.215 0.000 0.881 288 S N 1.343 117.123 115.700 0.132 0.000 2.402 288 S HA -0.076 4.395 4.470 0.001 0.000 0.229 288 S C 1.913 176.566 174.600 0.089 0.000 1.021 288 S CA 1.028 59.289 58.200 0.102 0.000 0.974 288 S CB -1.287 61.958 63.200 0.076 0.000 0.800 288 S HN 0.572 nan 8.310 nan 0.000 0.484 289 G N 0.131 108.993 108.800 0.103 0.000 2.920 289 G HA2 0.148 4.109 3.960 0.001 0.000 0.208 289 G HA3 0.148 4.109 3.960 0.001 0.000 0.208 289 G C 0.392 175.347 174.900 0.093 0.000 1.159 289 G CA -0.094 45.062 45.100 0.093 0.000 0.784 289 G HN 0.547 nan 8.290 nan 0.000 0.535 290 C N 0.488 119.853 119.300 0.108 0.000 2.604 290 C HA 0.544 5.005 4.460 0.001 0.000 0.396 290 C C 1.420 176.471 174.990 0.102 0.000 1.282 290 C CA -0.854 58.239 59.018 0.125 0.000 2.292 290 C CB 0.985 28.824 27.740 0.165 0.000 2.633 290 C HN 0.408 nan 8.230 nan 0.000 0.620 291 S N 1.335 117.112 115.700 0.128 0.000 2.546 291 S HA 0.389 4.860 4.470 0.001 0.000 0.290 291 S C 1.199 175.815 174.600 0.027 0.000 1.290 291 S CA 0.842 59.099 58.200 0.095 0.000 1.069 291 S CB -0.103 63.232 63.200 0.224 0.000 0.846 291 S HN 2.008 nan 8.310 nan 0.000 0.495 292 G N 3.207 111.794 108.800 -0.355 0.000 2.195 292 G HA2 -0.329 3.632 3.960 0.001 0.000 0.246 292 G HA3 -0.329 3.632 3.960 0.001 0.000 0.246 292 G C 0.973 175.471 174.900 -0.671 0.000 0.984 292 G CA 0.975 45.575 45.100 -0.834 0.000 0.633 292 G HN 1.485 nan 8.290 nan 0.000 0.525 293 T N -1.512 112.904 114.554 -0.230 0.000 2.746 293 T HA -0.048 4.302 4.350 0.001 0.000 0.267 293 T C 2.305 176.955 174.700 -0.082 0.000 1.039 293 T CA 2.335 64.420 62.100 -0.024 0.000 1.142 293 T CB -0.401 68.506 68.868 0.064 0.000 0.866 293 T HN 0.698 nan 8.240 nan 0.000 0.444 294 S N 0.990 116.592 115.700 -0.164 0.000 2.359 294 S HA -0.049 4.421 4.470 0.001 0.000 0.224 294 S C 1.975 176.427 174.600 -0.247 0.000 1.035 294 S CA 1.336 59.445 58.200 -0.153 0.000 1.018 294 S CB -0.600 62.512 63.200 -0.147 0.000 0.876 294 S HN 0.572 nan 8.310 nan 0.000 0.448 295 I N 0.234 120.546 120.570 -0.430 0.000 2.353 295 I HA -0.088 4.083 4.170 0.001 0.000 0.248 295 I C 1.772 177.672 176.117 -0.362 0.000 1.119 295 I CA 0.833 61.806 61.300 -0.544 0.000 1.417 295 I CB -0.256 37.255 38.000 -0.815 0.000 1.078 295 I HN 0.275 nan 8.210 nan 0.000 0.421 296 F N 0.904 120.723 119.950 -0.218 0.000 2.186 296 F HA -0.173 4.355 4.527 0.001 0.000 0.299 296 F C 2.382 178.152 175.800 -0.051 0.000 1.090 296 F CA 0.970 58.897 58.000 -0.122 0.000 1.307 296 F CB -1.289 37.681 39.000 -0.050 0.000 1.019 296 F HN 0.126 nan 8.300 nan 0.000 0.489 297 N N -0.046 118.741 118.700 0.146 0.000 2.188 297 N HA -0.123 4.617 4.740 0.001 0.000 0.184 297 N C 1.995 177.534 175.510 0.049 0.000 1.018 297 N CA 1.399 54.531 53.050 0.138 0.000 0.858 297 N CB -0.453 38.116 38.487 0.137 0.000 0.989 297 N HN 0.132 nan 8.380 nan 0.000 0.426 298 S N 0.968 116.658 115.700 -0.017 0.000 2.368 298 S HA -0.005 4.466 4.470 0.001 0.000 0.224 298 S C 2.050 176.667 174.600 0.028 0.000 1.029 298 S CA 0.844 59.033 58.200 -0.017 0.000 0.988 298 S CB -0.112 63.067 63.200 -0.034 0.000 0.838 298 S HN 0.310 nan 8.310 nan 0.000 0.462 299 M N 0.793 120.440 119.600 0.079 0.000 2.108 299 M HA -0.088 4.392 4.480 0.001 0.000 0.261 299 M C 1.995 178.318 176.300 0.039 0.000 1.066 299 M CA 1.530 56.944 55.300 0.189 0.000 1.107 299 M CB -0.670 32.108 32.600 0.297 0.000 1.356 299 M HN 0.256 nan 8.290 nan 0.000 0.406 300 I N -0.025 120.558 120.570 0.021 0.000 2.252 300 I HA -0.284 3.887 4.170 0.001 0.000 0.245 300 I C 2.335 178.360 176.117 -0.154 0.000 1.102 300 I CA 0.858 62.115 61.300 -0.073 0.000 1.385 300 I CB -0.606 37.297 38.000 -0.161 0.000 1.064 300 I HN 0.367 nan 8.210 nan 0.000 0.414 301 N N 1.428 120.089 118.700 -0.064 0.000 2.094 301 N HA -0.227 4.514 4.740 0.001 0.000 0.191 301 N C 1.509 176.956 175.510 -0.104 0.000 1.023 301 N CA 1.513 54.535 53.050 -0.048 0.000 0.857 301 N CB -0.375 38.087 38.487 -0.041 0.000 1.013 301 N HN 0.361 nan 8.380 nan 0.000 0.426 302 N N 0.311 118.885 118.700 -0.210 0.000 2.120 302 N HA -0.097 4.644 4.740 0.001 0.000 0.188 302 N C 1.844 177.171 175.510 -0.304 0.000 1.024 302 N CA 0.815 53.633 53.050 -0.386 0.000 0.852 302 N CB -0.104 37.813 38.487 -0.950 0.000 1.003 302 N HN 0.301 nan 8.380 nan 0.000 0.424 303 L N 0.941 122.031 121.223 -0.221 0.000 2.056 303 L HA -0.100 4.240 4.340 0.001 0.000 0.207 303 L C 2.323 179.225 176.870 0.053 0.000 1.078 303 L CA 0.825 55.679 54.840 0.023 0.000 0.749 303 L CB -0.362 41.813 42.059 0.193 0.000 0.901 303 L HN 0.106 nan 8.230 nan 0.000 0.433 304 I N -0.250 120.200 120.570 -0.200 0.000 2.286 304 I HA -0.313 3.858 4.170 0.001 0.000 0.248 304 I C 2.388 178.480 176.117 -0.042 0.000 1.115 304 I CA 1.527 62.607 61.300 -0.367 0.000 1.392 304 I CB -0.058 37.602 38.000 -0.566 0.000 1.065 304 I HN 0.178 nan 8.210 nan 0.000 0.418 305 I N 0.108 120.704 120.570 0.043 0.000 2.286 305 I HA -0.223 3.947 4.170 0.001 0.000 0.245 305 I C 2.636 178.813 176.117 0.101 0.000 1.104 305 I CA 1.118 62.502 61.300 0.140 0.000 1.397 305 I CB -0.241 37.871 38.000 0.188 0.000 1.072 305 I HN 0.051 nan 8.210 nan 0.000 0.417 306 R N -0.181 120.367 120.500 0.080 0.000 2.103 306 R HA -0.170 4.171 4.340 0.001 0.000 0.242 306 R C 2.251 178.591 176.300 0.067 0.000 1.142 306 R CA 2.051 58.200 56.100 0.080 0.000 0.960 306 R CB -0.642 29.731 30.300 0.122 0.000 0.858 306 R HN 0.321 nan 8.270 nan 0.000 0.439 307 T N 1.209 115.816 114.554 0.088 0.000 2.777 307 T HA -0.040 4.311 4.350 0.001 0.000 0.266 307 T C 1.788 176.462 174.700 -0.043 0.000 1.040 307 T CA 0.927 63.072 62.100 0.075 0.000 1.141 307 T CB -0.033 68.915 68.868 0.134 0.000 0.868 307 T HN 0.132 nan 8.240 nan 0.000 0.444 308 L N 0.348 121.539 121.223 -0.054 0.000 2.109 308 L HA 0.031 4.372 4.340 0.001 0.000 0.207 308 L C 2.443 179.257 176.870 -0.093 0.000 1.086 308 L CA 0.911 55.697 54.840 -0.091 0.000 0.760 308 L CB -0.567 41.449 42.059 -0.072 0.000 0.910 308 L HN 0.263 nan 8.230 nan 0.000 0.437 309 L N -0.403 120.791 121.223 -0.048 0.000 2.017 309 L HA -0.242 4.099 4.340 0.001 0.000 0.208 309 L C 2.554 179.388 176.870 -0.060 0.000 1.073 309 L CA 1.277 56.090 54.840 -0.046 0.000 0.745 309 L CB -0.416 41.585 42.059 -0.097 0.000 0.894 309 L HN 0.267 nan 8.230 nan 0.000 0.432 310 L N -0.089 121.085 121.223 -0.081 0.000 2.046 310 L HA -0.244 4.096 4.340 0.001 0.000 0.208 310 L C 2.696 179.379 176.870 -0.310 0.000 1.077 310 L CA 1.468 56.260 54.840 -0.080 0.000 0.747 310 L CB -0.413 41.682 42.059 0.060 0.000 0.896 310 L HN 0.262 nan 8.230 nan 0.000 0.432 311 K N -0.477 119.579 120.400 -0.573 0.000 2.062 311 K HA -0.126 4.195 4.320 0.001 0.000 0.205 311 K C 1.918 178.258 176.600 -0.433 0.000 1.051 311 K CA 1.766 57.537 56.287 -0.861 0.000 0.941 311 K CB -0.025 32.053 32.500 -0.702 0.000 0.719 311 K HN 0.096 nan 8.250 nan 0.000 0.440 312 T N -0.579 113.783 114.554 -0.320 0.000 2.896 312 T HA -0.033 4.318 4.350 0.001 0.000 0.263 312 T C -0.239 174.129 174.700 -0.553 0.000 1.050 312 T CA 0.978 62.826 62.100 -0.420 0.000 1.140 312 T CB -0.112 68.488 68.868 -0.447 0.000 0.877 312 T HN 0.138 nan 8.240 nan 0.000 0.457 313 Y N 1.737 121.917 120.300 -0.200 0.000 2.555 313 Y HA 0.396 4.947 4.550 0.001 0.000 0.326 313 Y C 0.228 176.057 175.900 -0.119 0.000 0.984 313 Y CA -1.319 56.682 58.100 -0.164 0.000 1.298 313 Y CB 0.678 39.013 38.460 -0.210 0.000 1.094 313 Y HN -0.123 nan 8.280 nan 0.000 0.500 314 K N 1.591 121.997 120.400 0.011 0.000 2.484 314 K HA 0.224 4.545 4.320 0.001 0.000 0.280 314 K C 1.096 177.731 176.600 0.057 0.000 1.013 314 K CA 1.346 57.652 56.287 0.031 0.000 1.029 314 K CB 0.079 32.591 32.500 0.021 0.000 0.902 314 K HN 1.009 nan 8.250 nan 0.000 0.481 315 G N 3.826 112.661 108.800 0.059 0.000 2.143 315 G HA2 -0.281 3.680 3.960 0.001 0.000 0.248 315 G HA3 -0.281 3.680 3.960 0.001 0.000 0.248 315 G C 0.118 175.061 174.900 0.072 0.000 0.991 315 G CA 0.210 45.348 45.100 0.063 0.000 0.689 315 G HN 0.693 nan 8.290 nan 0.000 0.522 316 I N 0.601 121.199 120.570 0.047 0.000 2.696 316 I HA 0.380 4.550 4.170 0.001 0.000 0.284 316 I C -0.122 176.037 176.117 0.070 0.000 1.129 316 I CA -0.413 60.901 61.300 0.024 0.000 1.410 316 I CB 0.721 38.626 38.000 -0.158 0.000 1.399 316 I HN 0.075 nan 8.210 nan 0.000 0.579 317 D N 6.947 127.468 120.400 0.201 0.000 2.412 317 D HA 0.180 4.820 4.640 0.001 0.000 0.224 317 D C 0.830 177.195 176.300 0.107 0.000 1.093 317 D CA -0.129 53.947 54.000 0.126 0.000 0.850 317 D CB 0.982 41.859 40.800 0.129 0.000 1.046 317 D HN 0.521 nan 8.370 nan 0.000 0.507 318 L N 2.496 123.659 121.223 -0.100 0.000 2.362 318 L HA -0.091 4.250 4.340 0.001 0.000 0.219 318 L C 1.252 178.025 176.870 -0.162 0.000 1.134 318 L CA 0.538 55.218 54.840 -0.266 0.000 0.807 318 L CB -0.004 41.582 42.059 -0.788 0.000 0.927 318 L HN 0.349 nan 8.230 nan 0.000 0.447 319 D N -0.784 119.555 120.400 -0.102 0.000 2.263 319 D HA -0.153 4.488 4.640 0.001 0.000 0.208 319 D C 1.643 177.894 176.300 -0.081 0.000 0.971 319 D CA 1.128 55.114 54.000 -0.024 0.000 0.867 319 D CB 0.009 40.695 40.800 -0.190 0.000 0.929 319 D HN 0.363 nan 8.370 nan 0.000 0.492 320 H N -0.645 118.476 119.070 0.085 0.000 2.549 320 H HA 0.173 4.729 4.556 0.001 0.000 0.279 320 H C 0.229 175.579 175.328 0.038 0.000 1.018 320 H CA -0.433 55.587 56.048 -0.046 0.000 1.175 320 H CB 0.031 29.617 29.762 -0.293 0.000 1.485 320 H HN 0.081 nan 8.280 nan 0.000 0.543 321 L N 2.159 123.560 121.223 0.296 0.000 2.278 321 L HA 0.279 4.619 4.340 0.001 0.000 0.287 321 L C -0.439 176.544 176.870 0.188 0.000 1.072 321 L CA -0.376 54.655 54.840 0.319 0.000 0.819 321 L CB 0.564 42.786 42.059 0.272 0.000 1.176 321 L HN -0.258 nan 8.230 nan 0.000 0.435 322 K N 8.011 128.485 120.400 0.124 0.000 2.367 322 K HA 0.540 4.861 4.320 0.001 0.000 0.263 322 K C -0.781 175.803 176.600 -0.027 0.000 1.000 322 K CA -0.205 56.110 56.287 0.047 0.000 0.891 322 K CB 1.490 33.998 32.500 0.012 0.000 1.117 322 K HN 0.893 nan 8.250 nan 0.000 0.443 323 M N 1.093 120.674 119.600 -0.031 0.000 2.531 323 M HA 0.632 5.112 4.480 0.001 0.000 0.286 323 M C -1.287 174.962 176.300 -0.085 0.000 1.232 323 M CA -0.886 54.342 55.300 -0.121 0.000 0.877 323 M CB 2.077 34.601 32.600 -0.126 0.000 1.726 323 M HN 0.313 nan 8.290 nan 0.000 0.463 324 I N 1.975 122.445 120.570 -0.166 0.000 2.500 324 I HA 0.744 4.914 4.170 0.001 0.000 0.286 324 I C -0.709 175.372 176.117 -0.059 0.000 1.063 324 I CA -0.672 60.592 61.300 -0.060 0.000 1.062 324 I CB 2.107 40.092 38.000 -0.025 0.000 1.223 324 I HN 0.969 nan 8.210 nan 0.000 0.435 325 A N 5.225 128.102 122.820 0.093 0.000 2.320 325 A HA 0.731 5.052 4.320 0.001 0.000 0.334 325 A C -1.674 176.094 177.584 0.308 0.000 1.147 325 A CA -0.349 51.789 52.037 0.167 0.000 0.820 325 A CB 1.049 20.074 19.000 0.042 0.000 1.218 325 A HN 0.613 nan 8.150 nan 0.000 0.482 326 Y N 1.392 121.827 120.300 0.226 0.000 2.594 326 Y HA 0.474 5.025 4.550 0.001 0.000 0.338 326 Y C 0.962 176.832 175.900 -0.050 0.000 1.019 326 Y CA 0.369 58.508 58.100 0.064 0.000 1.306 326 Y CB 0.742 39.169 38.460 -0.055 0.000 1.094 326 Y HN 1.568 nan 8.280 nan 0.000 0.534 327 G N 4.112 112.949 108.800 0.062 0.000 2.629 327 G HA2 -0.420 3.540 3.960 0.001 0.000 0.313 327 G HA3 -0.420 3.540 3.960 0.001 0.000 0.313 327 G C 0.998 175.726 174.900 -0.286 0.000 1.217 327 G CA 0.818 45.877 45.100 -0.069 0.000 0.994 327 G HN 0.673 nan 8.290 nan 0.000 0.549 328 D N 1.161 121.257 120.400 -0.506 0.000 2.323 328 D HA 0.066 4.707 4.640 0.001 0.000 0.209 328 D C 0.598 176.790 176.300 -0.180 0.000 0.973 328 D CA 0.820 54.345 54.000 -0.792 0.000 0.874 328 D CB -0.216 39.922 40.800 -1.103 0.000 0.930 328 D HN 0.347 nan 8.370 nan 0.000 0.521 329 D N 0.578 120.948 120.400 -0.050 0.000 2.382 329 D HA 0.240 4.881 4.640 0.001 0.000 0.245 329 D C -0.877 175.545 176.300 0.204 0.000 1.120 329 D CA -0.170 53.881 54.000 0.086 0.000 0.890 329 D CB 1.680 42.534 40.800 0.089 0.000 1.201 329 D HN -0.102 nan 8.370 nan 0.000 0.433 330 V N 5.006 124.973 119.914 0.088 0.000 2.969 330 V HA 0.460 4.581 4.120 0.001 0.000 0.304 330 V C -1.385 174.440 176.094 -0.449 0.000 1.192 330 V CA -0.851 61.347 62.300 -0.171 0.000 0.962 330 V CB 2.015 33.649 31.823 -0.316 0.000 1.045 330 V HN 0.569 nan 8.190 nan 0.000 0.428 331 I N 5.855 125.981 120.570 -0.741 0.000 2.466 331 I HA 0.903 5.074 4.170 0.001 0.000 0.289 331 I C -0.315 175.407 176.117 -0.659 0.000 1.026 331 I CA -0.222 60.625 61.300 -0.755 0.000 1.078 331 I CB 1.564 38.998 38.000 -0.944 0.000 1.249 331 I HN 0.908 nan 8.210 nan 0.000 0.429 332 A N 5.032 127.411 122.820 -0.735 0.000 2.469 332 A HA 0.917 5.238 4.320 0.001 0.000 0.299 332 A C -0.982 176.211 177.584 -0.652 0.000 1.098 332 A CA -0.322 51.246 52.037 -0.781 0.000 0.737 332 A CB 1.933 20.166 19.000 -1.277 0.000 1.312 332 A HN 0.772 nan 8.150 nan 0.000 0.414 333 S N -0.322 115.209 115.700 -0.282 0.000 2.570 333 S HA 0.795 5.266 4.470 0.001 0.000 0.270 333 S C -1.327 173.431 174.600 0.263 0.000 1.149 333 S CA -0.582 57.612 58.200 -0.010 0.000 0.837 333 S CB 1.390 64.533 63.200 -0.095 0.000 1.124 333 S HN 1.721 nan 8.310 nan 0.000 0.465 334 Y N 0.787 121.143 120.300 0.094 0.000 2.592 334 Y HA 0.535 5.085 4.550 0.001 0.000 0.334 334 Y C -2.735 173.114 175.900 -0.084 0.000 1.136 334 Y CA -1.941 56.178 58.100 0.032 0.000 1.042 334 Y CB 2.223 40.701 38.460 0.031 0.000 1.325 334 Y HN 0.497 nan 8.280 nan 0.000 0.457 335 P HA -0.023 nan 4.420 nan 0.000 0.226 335 P C -0.701 176.228 177.300 -0.618 0.000 1.153 335 P CA 1.598 64.288 63.100 -0.683 0.000 0.777 335 P CB 0.218 31.354 31.700 -0.939 0.000 0.794 336 H N -0.829 118.211 119.070 -0.050 0.000 2.622 336 H HA 0.198 4.755 4.556 0.001 0.000 0.363 336 H C 0.214 175.582 175.328 0.066 0.000 1.151 336 H CA -0.917 55.157 56.048 0.043 0.000 1.184 336 H CB 1.135 30.932 29.762 0.058 0.000 1.643 336 H HN -0.019 nan 8.280 nan 0.000 0.531 337 E N 2.456 122.727 120.200 0.118 0.000 2.529 337 E HA 0.074 4.425 4.350 0.001 0.000 0.259 337 E C -0.517 176.019 176.600 -0.107 0.000 0.966 337 E CA 0.052 56.465 56.400 0.022 0.000 0.937 337 E CB 0.510 30.221 29.700 0.019 0.000 0.923 337 E HN 0.437 nan 8.360 nan 0.000 0.468 338 V N 1.698 121.476 119.914 -0.227 0.000 2.919 338 V HA 0.457 4.578 4.120 0.001 0.000 0.316 338 V C -0.413 175.555 176.094 -0.210 0.000 1.077 338 V CA -0.984 61.055 62.300 -0.435 0.000 0.977 338 V CB 2.021 33.302 31.823 -0.903 0.000 1.039 338 V HN 0.606 nan 8.190 nan 0.000 0.441 339 D N 2.784 123.150 120.400 -0.057 0.000 2.454 339 D HA 0.565 5.206 4.640 0.001 0.000 0.225 339 D C 0.888 177.105 176.300 -0.137 0.000 1.081 339 D CA 0.237 54.207 54.000 -0.049 0.000 0.864 339 D CB 1.647 42.438 40.800 -0.015 0.000 1.040 339 D HN 0.883 nan 8.370 nan 0.000 0.517 340 A N 2.893 125.657 122.820 -0.093 0.000 2.070 340 A HA -0.157 4.164 4.320 0.001 0.000 0.220 340 A C 2.111 179.285 177.584 -0.684 0.000 1.159 340 A CA 1.702 53.669 52.037 -0.116 0.000 0.656 340 A CB -0.327 18.865 19.000 0.321 0.000 0.800 340 A HN 0.596 nan 8.150 nan 0.000 0.453 341 S N 0.013 115.138 115.700 -0.958 0.000 2.399 341 S HA -0.090 4.381 4.470 0.001 0.000 0.231 341 S C 1.831 176.053 174.600 -0.630 0.000 1.022 341 S CA 1.392 58.830 58.200 -1.270 0.000 0.983 341 S CB -0.625 62.134 63.200 -0.736 0.000 0.803 341 S HN 0.484 nan 8.310 nan 0.000 0.480 342 L N 0.636 121.613 121.223 -0.411 0.000 2.072 342 L HA 0.079 4.419 4.340 0.001 0.000 0.205 342 L C 2.653 179.342 176.870 -0.303 0.000 1.079 342 L CA 0.881 55.532 54.840 -0.315 0.000 0.752 342 L CB -0.654 41.229 42.059 -0.294 0.000 0.906 342 L HN 0.295 nan 8.230 nan 0.000 0.436 343 L N 0.021 121.068 121.223 -0.293 0.000 2.079 343 L HA -0.223 4.117 4.340 0.001 0.000 0.210 343 L C 2.848 179.533 176.870 -0.308 0.000 1.081 343 L CA 1.287 55.965 54.840 -0.270 0.000 0.752 343 L CB -0.791 41.117 42.059 -0.251 0.000 0.896 343 L HN 0.269 nan 8.230 nan 0.000 0.433 344 A N -0.539 122.053 122.820 -0.381 0.000 1.969 344 A HA -0.239 4.081 4.320 0.001 0.000 0.218 344 A C 2.204 179.687 177.584 -0.169 0.000 1.169 344 A CA 1.578 53.437 52.037 -0.297 0.000 0.635 344 A CB -0.365 18.484 19.000 -0.251 0.000 0.810 344 A HN 0.403 nan 8.150 nan 0.000 0.445 345 Q N 0.381 120.070 119.800 -0.186 0.000 2.046 345 Q HA -0.087 4.253 4.340 0.001 0.000 0.200 345 Q C 2.128 178.088 176.000 -0.067 0.000 0.975 345 Q CA 2.249 57.982 55.803 -0.117 0.000 0.836 345 Q CB -0.507 28.146 28.738 -0.142 0.000 0.896 345 Q HN 0.512 nan 8.270 nan 0.000 0.428 346 S N -0.189 115.463 115.700 -0.080 0.000 2.383 346 S HA -0.130 4.341 4.470 0.001 0.000 0.229 346 S C 1.835 176.521 174.600 0.143 0.000 1.030 346 S CA 1.048 59.254 58.200 0.010 0.000 1.002 346 S CB -0.882 62.297 63.200 -0.035 0.000 0.829 346 S HN 0.696 nan 8.310 nan 0.000 0.467 347 G N 1.822 110.661 108.800 0.065 0.000 2.450 347 G HA2 -0.220 3.741 3.960 0.001 0.000 0.220 347 G HA3 -0.220 3.741 3.960 0.001 0.000 0.220 347 G C 1.349 176.374 174.900 0.208 0.000 1.130 347 G CA 0.714 45.900 45.100 0.143 0.000 0.760 347 G HN 0.470 nan 8.290 nan 0.000 0.557 348 K N 0.435 120.902 120.400 0.112 0.000 2.103 348 K HA -0.092 4.229 4.320 0.001 0.000 0.207 348 K C 1.986 178.636 176.600 0.084 0.000 1.048 348 K CA 1.361 57.701 56.287 0.087 0.000 0.930 348 K CB -0.146 32.376 32.500 0.036 0.000 0.716 348 K HN 0.158 nan 8.250 nan 0.000 0.444 349 D N -0.117 120.319 120.400 0.061 0.000 2.263 349 D HA -0.142 4.499 4.640 0.001 0.000 0.208 349 D C 0.853 177.030 176.300 -0.206 0.000 0.971 349 D CA 1.222 55.159 54.000 -0.105 0.000 0.867 349 D CB -0.100 40.573 40.800 -0.212 0.000 0.929 349 D HN 0.354 nan 8.370 nan 0.000 0.492 350 Y N -0.847 119.523 120.300 0.116 0.000 2.555 350 Y HA 0.354 4.905 4.550 0.001 0.000 0.259 350 Y C 1.694 177.722 175.900 0.212 0.000 1.179 350 Y CA -0.121 58.093 58.100 0.190 0.000 1.230 350 Y CB 0.651 39.347 38.460 0.393 0.000 1.146 350 Y HN -0.025 nan 8.280 nan 0.000 0.526 351 G N 0.933 109.872 108.800 0.232 0.000 2.160 351 G HA2 -0.291 3.669 3.960 0.001 0.000 0.251 351 G HA3 -0.291 3.669 3.960 0.001 0.000 0.251 351 G C -0.217 174.793 174.900 0.183 0.000 1.008 351 G CA -0.035 45.170 45.100 0.175 0.000 0.724 351 G HN 0.287 nan 8.290 nan 0.000 0.514 352 L N 0.653 122.007 121.223 0.218 0.000 2.307 352 L HA 0.583 4.924 4.340 0.001 0.000 0.282 352 L C 0.326 177.297 176.870 0.167 0.000 1.051 352 L CA -0.606 54.354 54.840 0.201 0.000 0.804 352 L CB 1.816 44.017 42.059 0.235 0.000 1.197 352 L HN 0.057 nan 8.230 nan 0.000 0.431 353 T N 4.114 118.780 114.554 0.187 0.000 2.853 353 T HA 0.537 4.888 4.350 0.001 0.000 0.317 353 T C -0.109 174.682 174.700 0.153 0.000 1.059 353 T CA -0.349 61.838 62.100 0.145 0.000 0.954 353 T CB 0.337 69.280 68.868 0.125 0.000 0.994 353 T HN 0.381 nan 8.240 nan 0.000 0.479 354 M N 3.217 122.860 119.600 0.071 0.000 2.336 354 M HA 0.520 5.001 4.480 0.001 0.000 0.342 354 M C 0.491 176.872 176.300 0.134 0.000 1.128 354 M CA -0.714 54.587 55.300 0.003 0.000 1.016 354 M CB 1.869 34.285 32.600 -0.308 0.000 1.665 354 M HN 0.612 nan 8.290 nan 0.000 0.445 355 T N 0.079 114.698 114.554 0.108 0.000 2.864 355 T HA 0.709 5.060 4.350 0.001 0.000 0.289 355 T C -2.967 171.526 174.700 -0.344 0.000 1.082 355 T CA -2.335 59.727 62.100 -0.063 0.000 1.009 355 T CB 1.635 70.463 68.868 -0.067 0.000 1.234 355 T HN 0.233 nan 8.240 nan 0.000 0.526 356 P HA 0.336 nan 4.420 nan 0.000 0.266 356 P C -0.399 176.746 177.300 -0.257 0.000 1.195 356 P CA -0.107 62.537 63.100 -0.760 0.000 0.768 356 P CB 0.046 31.341 31.700 -0.675 0.000 0.838 357 A N 2.911 125.655 122.820 -0.127 0.000 2.498 357 A HA 0.168 4.489 4.320 0.001 0.000 0.239 357 A C 0.377 177.916 177.584 -0.075 0.000 1.068 357 A CA 0.067 52.058 52.037 -0.076 0.000 0.766 357 A CB -0.756 18.206 19.000 -0.065 0.000 1.003 357 A HN 0.714 nan 8.150 nan 0.000 0.497 358 D N -0.135 120.226 120.400 -0.065 0.000 2.708 358 D HA -0.185 4.456 4.640 0.001 0.000 0.236 358 D C 0.425 176.705 176.300 -0.033 0.000 1.146 358 D CA 1.711 55.683 54.000 -0.045 0.000 0.662 358 D CB -1.281 39.498 40.800 -0.035 0.000 1.059 358 D HN 0.923 nan 8.370 nan 0.000 0.428 359 K N -1.579 118.791 120.400 -0.050 0.000 3.209 359 K HA -0.245 4.076 4.320 0.001 0.000 0.289 359 K C -0.066 176.503 176.600 -0.052 0.000 1.191 359 K CA 1.066 57.326 56.287 -0.045 0.000 0.851 359 K CB -1.441 31.048 32.500 -0.020 0.000 1.242 359 K HN 0.447 nan 8.250 nan 0.000 0.480 360 S N -0.969 114.686 115.700 -0.074 0.000 2.579 360 S HA 0.508 4.979 4.470 0.001 0.000 0.275 360 S C 1.612 176.152 174.600 -0.099 0.000 1.345 360 S CA 0.191 58.349 58.200 -0.071 0.000 1.031 360 S CB 1.073 64.229 63.200 -0.073 0.000 0.892 360 S HN 0.474 nan 8.310 nan 0.000 0.529 361 A N 3.216 125.999 122.820 -0.061 0.000 2.014 361 A HA 0.197 4.518 4.320 0.001 0.000 0.218 361 A C 1.111 178.655 177.584 -0.067 0.000 1.163 361 A CA 1.309 53.314 52.037 -0.053 0.000 0.652 361 A CB -0.676 18.313 19.000 -0.019 0.000 0.808 361 A HN 0.999 nan 8.150 nan 0.000 0.449 362 T N -4.568 109.943 114.554 -0.072 0.000 2.906 362 T HA 0.624 4.974 4.350 0.001 0.000 0.295 362 T C -0.630 174.032 174.700 -0.064 0.000 1.061 362 T CA -0.727 61.356 62.100 -0.029 0.000 1.000 362 T CB 0.992 69.882 68.868 0.035 0.000 1.103 362 T HN 0.005 nan 8.240 nan 0.000 0.486 363 F N 1.593 121.553 119.950 0.016 0.000 2.502 363 F HA 0.442 4.970 4.527 0.001 0.000 0.371 363 F C 1.099 176.912 175.800 0.021 0.000 1.083 363 F CA 0.164 58.176 58.000 0.021 0.000 1.174 363 F CB 0.373 39.381 39.000 0.014 0.000 1.096 363 F HN 0.632 nan 8.300 nan 0.000 0.545 364 E N 0.703 121.000 120.200 0.162 0.000 2.336 364 E HA 0.328 4.679 4.350 0.001 0.000 0.267 364 E C -0.658 176.000 176.600 0.098 0.000 0.906 364 E CA -0.991 55.473 56.400 0.107 0.000 0.781 364 E CB 1.605 31.340 29.700 0.059 0.000 1.261 364 E HN 0.349 nan 8.360 nan 0.000 0.436 365 T N 1.061 115.657 114.554 0.069 0.000 2.905 365 T HA 0.068 4.419 4.350 0.001 0.000 0.299 365 T C -0.199 174.513 174.700 0.020 0.000 1.024 365 T CA -0.037 62.090 62.100 0.046 0.000 1.151 365 T CB 0.128 69.013 68.868 0.029 0.000 0.987 365 T HN 0.081 nan 8.240 nan 0.000 0.535 366 V N 5.198 125.107 119.914 -0.008 0.000 2.432 366 V HA 0.514 4.635 4.120 0.001 0.000 0.275 366 V C 0.790 176.789 176.094 -0.159 0.000 1.043 366 V CA -0.601 61.651 62.300 -0.080 0.000 0.925 366 V CB 1.166 32.917 31.823 -0.120 0.000 0.985 366 V HN 1.145 nan 8.190 nan 0.000 0.466 367 T N -0.129 114.330 114.554 -0.157 0.000 2.907 367 T HA 0.374 4.725 4.350 0.001 0.000 0.290 367 T C 0.390 174.946 174.700 -0.240 0.000 1.066 367 T CA -0.674 61.314 62.100 -0.186 0.000 1.012 367 T CB 1.152 70.009 68.868 -0.018 0.000 1.184 367 T HN 0.462 nan 8.240 nan 0.000 0.522 368 W N 0.348 121.624 121.300 -0.039 0.000 2.359 368 W HA 0.000 4.661 4.660 0.001 0.000 0.275 368 W C 2.370 178.944 176.519 0.091 0.000 1.217 368 W CA 0.807 58.127 57.345 -0.042 0.000 1.196 368 W CB -0.125 29.308 29.460 -0.046 0.000 1.129 368 W HN 0.843 nan 8.180 nan 0.000 0.566 369 E N 0.091 120.455 120.200 0.274 0.000 2.112 369 E HA -0.179 4.172 4.350 0.001 0.000 0.190 369 E C 1.749 178.537 176.600 0.313 0.000 0.979 369 E CA 1.301 57.855 56.400 0.256 0.000 0.814 369 E CB -0.149 29.647 29.700 0.160 0.000 0.762 369 E HN 0.306 nan 8.360 nan 0.000 0.460 370 N N -0.265 118.583 118.700 0.246 0.000 2.184 370 N HA -0.018 4.723 4.740 0.001 0.000 0.206 370 N C 0.029 175.658 175.510 0.198 0.000 1.151 370 N CA -0.131 53.107 53.050 0.312 0.000 0.878 370 N CB 0.338 38.934 38.487 0.181 0.000 1.014 370 N HN -0.097 nan 8.380 nan 0.000 0.512 371 V N 1.736 121.708 119.914 0.097 0.000 2.614 371 V HA 0.490 4.611 4.120 0.001 0.000 0.291 371 V C -0.000 176.108 176.094 0.023 0.000 1.049 371 V CA 0.143 62.408 62.300 -0.058 0.000 1.038 371 V CB 0.798 32.436 31.823 -0.309 0.000 0.980 371 V HN 0.599 nan 8.190 nan 0.000 0.481 372 T N 3.886 118.393 114.554 -0.078 0.000 2.901 372 T HA 0.757 5.108 4.350 0.001 0.000 0.293 372 T C -1.108 173.744 174.700 0.253 0.000 1.084 372 T CA -0.656 61.423 62.100 -0.036 0.000 1.008 372 T CB 1.887 70.468 68.868 -0.479 0.000 1.170 372 T HN 0.746 nan 8.240 nan 0.000 0.509 373 F N 2.264 122.308 119.950 0.155 0.000 2.622 373 F HA 0.480 5.008 4.527 0.001 0.000 0.318 373 F C -0.216 175.736 175.800 0.254 0.000 1.135 373 F CA -2.098 56.010 58.000 0.180 0.000 1.015 373 F CB 0.956 40.089 39.000 0.223 0.000 1.275 373 F HN 0.810 nan 8.300 nan 0.000 0.457 374 L N 5.780 126.809 121.223 -0.325 0.000 3.843 374 L HA -0.361 3.980 4.340 0.001 0.000 0.411 374 L C 0.866 177.615 176.870 -0.202 0.000 1.205 374 L CA 1.064 55.692 54.840 -0.354 0.000 0.945 374 L CB -1.548 40.282 42.059 -0.381 0.000 1.929 374 L HN 0.915 nan 8.230 nan 0.000 0.934 375 K N -1.981 118.340 120.400 -0.132 0.000 3.341 375 K HA -0.190 4.131 4.320 0.001 0.000 0.305 375 K C 0.346 176.873 176.600 -0.123 0.000 1.270 375 K CA 1.626 57.837 56.287 -0.128 0.000 0.897 375 K CB -0.553 31.868 32.500 -0.131 0.000 1.264 375 K HN 0.555 nan 8.250 nan 0.000 0.468 376 R N -0.250 120.199 120.500 -0.084 0.000 2.637 376 R HA 0.504 4.844 4.340 0.001 0.000 0.291 376 R C -0.141 176.170 176.300 0.019 0.000 0.963 376 R CA -0.740 55.311 56.100 -0.081 0.000 0.901 376 R CB 0.782 30.870 30.300 -0.354 0.000 1.160 376 R HN -0.121 nan 8.270 nan 0.000 0.457 377 F N 0.973 120.965 119.950 0.069 0.000 2.362 377 F HA 0.421 4.949 4.527 0.001 0.000 0.311 377 F C 0.107 176.028 175.800 0.202 0.000 1.161 377 F CA -0.150 57.984 58.000 0.223 0.000 1.085 377 F CB 0.643 39.731 39.000 0.147 0.000 1.311 377 F HN 0.251 nan 8.300 nan 0.000 0.524 378 F N 1.324 121.611 119.950 0.563 0.000 2.467 378 F HA 0.600 5.127 4.527 0.001 0.000 0.336 378 F C -0.333 175.662 175.800 0.325 0.000 1.123 378 F CA -0.861 57.427 58.000 0.481 0.000 0.964 378 F CB 1.267 40.516 39.000 0.415 0.000 1.136 378 F HN 0.034 nan 8.300 nan 0.000 0.447 379 R N 2.220 122.945 120.500 0.376 0.000 2.510 379 R HA 0.583 4.924 4.340 0.001 0.000 0.294 379 R C -0.736 175.712 176.300 0.246 0.000 1.056 379 R CA -1.103 55.148 56.100 0.252 0.000 0.918 379 R CB 1.730 32.121 30.300 0.153 0.000 1.187 379 R HN 0.726 nan 8.270 nan 0.000 0.437 380 A N 2.092 125.020 122.820 0.180 0.000 2.462 380 A HA 0.084 4.405 4.320 0.001 0.000 0.243 380 A C 0.076 177.791 177.584 0.219 0.000 1.076 380 A CA -0.098 52.026 52.037 0.145 0.000 0.773 380 A CB 0.095 19.136 19.000 0.067 0.000 1.010 380 A HN 0.659 nan 8.150 nan 0.000 0.493 381 D N 0.868 121.412 120.400 0.240 0.000 2.455 381 D HA 0.095 4.736 4.640 0.001 0.000 0.241 381 D C 1.122 177.542 176.300 0.200 0.000 1.138 381 D CA 0.398 54.609 54.000 0.353 0.000 0.877 381 D CB 0.579 41.656 40.800 0.460 0.000 1.187 381 D HN 0.594 nan 8.370 nan 0.000 0.451 382 E N 2.416 122.726 120.200 0.184 0.000 2.208 382 E HA -0.147 4.203 4.350 0.001 0.000 0.193 382 E C 1.316 177.936 176.600 0.033 0.000 0.988 382 E CA 0.793 57.243 56.400 0.085 0.000 0.828 382 E CB 0.235 29.970 29.700 0.057 0.000 0.763 382 E HN 0.484 nan 8.360 nan 0.000 0.478 383 K N 0.170 120.602 120.400 0.053 0.000 2.044 383 K HA -0.000 4.321 4.320 0.001 0.000 0.204 383 K C 0.185 176.509 176.600 -0.461 0.000 1.045 383 K CA 0.708 56.875 56.287 -0.200 0.000 0.951 383 K CB 0.177 32.559 32.500 -0.196 0.000 0.738 383 K HN 0.059 nan 8.250 nan 0.000 0.443 384 Y N 0.927 121.193 120.300 -0.056 0.000 2.841 384 Y HA 0.210 4.760 4.550 0.001 0.000 0.329 384 Y C -2.076 173.506 175.900 -0.531 0.000 1.062 384 Y CA -2.567 55.277 58.100 -0.427 0.000 1.281 384 Y CB 0.955 39.004 38.460 -0.685 0.000 1.147 384 Y HN 0.095 nan 8.280 nan 0.000 0.521 385 P HA -0.178 nan 4.420 nan 0.000 0.222 385 P C 1.077 178.346 177.300 -0.053 0.000 1.147 385 P CA 1.311 64.384 63.100 -0.045 0.000 0.790 385 P CB -0.125 31.606 31.700 0.051 0.000 0.780 386 F N -2.148 117.796 119.950 -0.009 0.000 2.748 386 F HA 0.166 4.694 4.527 0.001 0.000 0.299 386 F C 0.576 176.299 175.800 -0.128 0.000 1.154 386 F CA -0.216 57.739 58.000 -0.075 0.000 1.446 386 F CB -1.170 37.776 39.000 -0.090 0.000 1.112 386 F HN -0.265 nan 8.300 nan 0.000 0.584 387 L N 3.117 124.032 121.223 -0.513 0.000 2.282 387 L HA 0.383 4.724 4.340 0.001 0.000 0.288 387 L C -0.383 176.477 176.870 -0.018 0.000 1.033 387 L CA -0.762 53.820 54.840 -0.431 0.000 0.807 387 L CB 1.434 42.981 42.059 -0.854 0.000 1.209 387 L HN -0.020 nan 8.230 nan 0.000 0.423 388 I N 2.751 123.408 120.570 0.145 0.000 2.354 388 I HA 0.276 4.447 4.170 0.001 0.000 0.292 388 I C 0.297 176.593 176.117 0.299 0.000 0.989 388 I CA -0.524 60.921 61.300 0.242 0.000 1.188 388 I CB 1.115 39.274 38.000 0.266 0.000 1.342 388 I HN 0.474 nan 8.210 nan 0.000 0.457 389 H N 7.035 126.195 119.070 0.150 0.000 2.722 389 H HA 0.207 4.764 4.556 0.001 0.000 0.328 389 H C -2.101 172.995 175.328 -0.386 0.000 1.067 389 H CA -1.372 54.479 56.048 -0.328 0.000 1.447 389 H CB 0.918 30.415 29.762 -0.442 0.000 1.469 389 H HN 0.248 nan 8.280 nan 0.000 0.544 390 P HA 0.054 nan 4.420 nan 0.000 0.286 390 P C -0.401 176.466 177.300 -0.721 0.000 1.321 390 P CA -0.376 62.052 63.100 -1.120 0.000 0.790 390 P CB 0.733 31.422 31.700 -1.686 0.000 0.897 391 V N 5.893 125.612 119.914 -0.326 0.000 2.318 391 V HA 0.299 4.419 4.120 0.001 0.000 0.271 391 V C 0.679 176.739 176.094 -0.057 0.000 1.030 391 V CA -0.492 61.702 62.300 -0.178 0.000 0.844 391 V CB 0.923 32.705 31.823 -0.068 0.000 1.015 391 V HN 0.580 nan 8.190 nan 0.000 0.460 392 M N 8.084 127.593 119.600 -0.151 0.000 2.188 392 M HA 0.495 4.976 4.480 0.001 0.000 0.357 392 M C -2.527 173.716 176.300 -0.096 0.000 1.204 392 M CA -1.607 53.636 55.300 -0.095 0.000 1.095 392 M CB 1.749 34.250 32.600 -0.166 0.000 1.604 392 M HN 0.298 nan 8.290 nan 0.000 0.464 393 P HA 0.023 nan 4.420 nan 0.000 0.268 393 P C 0.421 177.598 177.300 -0.205 0.000 1.204 393 P CA -0.180 62.865 63.100 -0.091 0.000 0.768 393 P CB 0.483 32.186 31.700 0.004 0.000 0.842 394 M N 2.401 121.825 119.600 -0.294 0.000 2.267 394 M HA -0.175 4.306 4.480 0.001 0.000 0.263 394 M C 1.822 177.733 176.300 -0.648 0.000 1.063 394 M CA 1.720 56.691 55.300 -0.549 0.000 1.090 394 M CB -1.214 31.047 32.600 -0.564 0.000 1.392 394 M HN 0.455 nan 8.290 nan 0.000 0.422 395 K N 0.995 121.197 120.400 -0.330 0.000 2.059 395 K HA -0.221 4.099 4.320 0.001 0.000 0.212 395 K C 1.666 178.187 176.600 -0.132 0.000 1.050 395 K CA 2.003 58.189 56.287 -0.168 0.000 0.927 395 K CB 0.013 32.481 32.500 -0.053 0.000 0.714 395 K HN 0.490 nan 8.250 nan 0.000 0.447 396 E N 0.196 120.315 120.200 -0.136 0.000 2.107 396 E HA -0.141 4.210 4.350 0.001 0.000 0.191 396 E C 2.207 178.748 176.600 -0.098 0.000 0.982 396 E CA 1.033 57.382 56.400 -0.085 0.000 0.809 396 E CB -0.141 29.509 29.700 -0.083 0.000 0.756 396 E HN 0.399 nan 8.360 nan 0.000 0.459 397 I N 1.208 121.657 120.570 -0.201 0.000 2.286 397 I HA -0.271 3.900 4.170 0.001 0.000 0.248 397 I C 2.227 178.268 176.117 -0.126 0.000 1.115 397 I CA 1.431 62.605 61.300 -0.211 0.000 1.392 397 I CB -0.400 37.357 38.000 -0.405 0.000 1.065 397 I HN 0.173 nan 8.210 nan 0.000 0.418 398 H N 0.044 119.006 119.070 -0.181 0.000 2.389 398 H HA -0.101 4.456 4.556 0.001 0.000 0.299 398 H C 2.105 177.387 175.328 -0.076 0.000 1.081 398 H CA 0.594 56.520 56.048 -0.203 0.000 1.345 398 H CB 0.188 29.922 29.762 -0.047 0.000 1.393 398 H HN 0.259 nan 8.280 nan 0.000 0.520 399 E N 0.527 120.799 120.200 0.121 0.000 2.085 399 E HA -0.173 4.177 4.350 0.001 0.000 0.194 399 E C 2.395 179.133 176.600 0.230 0.000 0.994 399 E CA 0.973 57.471 56.400 0.163 0.000 0.801 399 E CB -0.299 29.466 29.700 0.109 0.000 0.743 399 E HN 0.274 nan 8.360 nan 0.000 0.453 400 S N 0.817 116.609 115.700 0.154 0.000 2.355 400 S HA -0.077 4.394 4.470 0.001 0.000 0.222 400 S C 2.019 176.778 174.600 0.266 0.000 1.031 400 S CA 0.604 58.942 58.200 0.230 0.000 0.993 400 S CB -0.187 63.127 63.200 0.189 0.000 0.859 400 S HN 0.276 nan 8.310 nan 0.000 0.453 401 I N 0.947 121.539 120.570 0.038 0.000 2.916 401 I HA -0.015 4.156 4.170 0.001 0.000 0.267 401 I C 1.910 178.012 176.117 -0.025 0.000 1.263 401 I CA 0.685 61.877 61.300 -0.180 0.000 1.471 401 I CB -0.101 37.655 38.000 -0.406 0.000 1.089 401 I HN 0.275 nan 8.210 nan 0.000 0.468 402 R N -0.539 119.991 120.500 0.050 0.000 2.313 402 R HA 0.007 4.348 4.340 0.001 0.000 0.199 402 R C -0.743 175.385 176.300 -0.287 0.000 0.958 402 R CA 0.455 56.485 56.100 -0.117 0.000 1.047 402 R CB 0.102 30.231 30.300 -0.285 0.000 0.955 402 R HN 0.227 nan 8.270 nan 0.000 0.481 403 W N -1.390 120.012 121.300 0.170 0.000 3.033 403 W HA 0.395 5.056 4.660 0.001 0.000 0.336 403 W C -0.263 176.382 176.519 0.209 0.000 1.173 403 W CA -0.712 56.735 57.345 0.170 0.000 1.185 403 W CB 1.709 31.249 29.460 0.134 0.000 1.425 403 W HN -0.382 nan 8.180 nan 0.000 0.536 404 T N 0.474 115.272 114.554 0.406 0.000 2.916 404 T HA 0.334 4.684 4.350 0.001 0.000 0.305 404 T C 0.082 174.910 174.700 0.214 0.000 1.119 404 T CA -0.619 61.660 62.100 0.298 0.000 1.008 404 T CB 1.559 70.564 68.868 0.228 0.000 1.129 404 T HN 0.540 nan 8.240 nan 0.000 0.480 405 K N 1.324 121.810 120.400 0.144 0.000 2.361 405 K HA 0.199 4.520 4.320 0.001 0.000 0.194 405 K C -0.449 176.196 176.600 0.075 0.000 1.032 405 K CA 0.092 56.433 56.287 0.090 0.000 1.048 405 K CB 0.399 32.926 32.500 0.045 0.000 0.842 405 K HN 0.523 nan 8.250 nan 0.000 0.526 406 D N -0.803 119.650 120.400 0.087 0.000 2.301 406 D HA 0.079 4.720 4.640 0.001 0.000 0.203 406 D C -2.564 173.785 176.300 0.082 0.000 1.300 406 D CA -1.332 52.709 54.000 0.069 0.000 0.899 406 D CB 1.534 42.364 40.800 0.049 0.000 1.597 406 D HN -0.285 nan 8.370 nan 0.000 0.538 407 P HA -0.133 nan 4.420 nan 0.000 0.222 407 P C 1.295 178.635 177.300 0.067 0.000 1.142 407 P CA 0.724 63.867 63.100 0.071 0.000 0.788 407 P CB 0.103 31.826 31.700 0.039 0.000 0.767 408 R N 0.095 120.628 120.500 0.056 0.000 2.200 408 R HA -0.110 4.231 4.340 0.001 0.000 0.234 408 R C 0.919 177.256 176.300 0.063 0.000 1.127 408 R CA 1.300 57.430 56.100 0.049 0.000 0.989 408 R CB -0.470 29.852 30.300 0.038 0.000 0.869 408 R HN 0.148 nan 8.270 nan 0.000 0.459 409 N N -0.237 118.514 118.700 0.084 0.000 2.270 409 N HA -0.002 4.739 4.740 0.001 0.000 0.198 409 N C 0.627 176.225 175.510 0.148 0.000 1.117 409 N CA 0.390 53.501 53.050 0.101 0.000 0.845 409 N CB 0.606 39.152 38.487 0.099 0.000 0.980 409 N HN 0.156 nan 8.380 nan 0.000 0.486 410 T N 0.994 115.633 114.554 0.143 0.000 2.720 410 T HA -0.213 4.138 4.350 0.001 0.000 0.268 410 T C 1.931 176.717 174.700 0.143 0.000 1.037 410 T CA 1.432 63.635 62.100 0.171 0.000 1.144 410 T CB 0.045 69.013 68.868 0.167 0.000 0.864 410 T HN 0.310 nan 8.240 nan 0.000 0.444 411 Q N 0.999 120.864 119.800 0.110 0.000 1.993 411 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 411 Q C 1.947 178.000 176.000 0.088 0.000 0.984 411 Q CA 1.866 57.719 55.803 0.083 0.000 0.837 411 Q CB -0.366 28.409 28.738 0.063 0.000 0.902 411 Q HN 0.302 nan 8.270 nan 0.000 0.423 412 D N -0.763 119.693 120.400 0.093 0.000 2.106 412 D HA -0.222 4.418 4.640 0.001 0.000 0.191 412 D C 1.701 178.086 176.300 0.141 0.000 0.997 412 D CA 1.699 55.753 54.000 0.091 0.000 0.834 412 D CB -0.455 40.387 40.800 0.070 0.000 0.956 412 D HN 0.532 nan 8.370 nan 0.000 0.448 413 H N -0.214 118.880 119.070 0.040 0.000 2.265 413 H HA -0.127 4.430 4.556 0.001 0.000 0.295 413 H C 2.079 177.426 175.328 0.032 0.000 1.084 413 H CA 1.696 57.769 56.048 0.040 0.000 1.261 413 H CB 0.010 29.808 29.762 0.059 0.000 1.360 413 H HN -0.048 nan 8.280 nan 0.000 0.487 414 V N 1.059 121.019 119.914 0.076 0.000 2.407 414 V HA -0.249 3.871 4.120 0.001 0.000 0.248 414 V C 2.614 178.745 176.094 0.062 0.000 1.055 414 V CA 2.104 64.372 62.300 -0.053 0.000 1.049 414 V CB -0.658 31.053 31.823 -0.187 0.000 0.662 414 V HN 0.417 nan 8.190 nan 0.000 0.455 415 R N -0.082 120.466 120.500 0.079 0.000 2.081 415 R HA -0.149 4.192 4.340 0.001 0.000 0.235 415 R C 2.545 178.912 176.300 0.113 0.000 1.131 415 R CA 1.760 57.916 56.100 0.093 0.000 0.960 415 R CB -0.271 30.069 30.300 0.067 0.000 0.856 415 R HN 0.486 nan 8.270 nan 0.000 0.436 416 S N 0.923 116.691 115.700 0.113 0.000 2.368 416 S HA -0.098 4.372 4.470 0.001 0.000 0.225 416 S C 1.857 176.523 174.600 0.110 0.000 1.030 416 S CA 1.117 59.375 58.200 0.097 0.000 0.999 416 S CB -0.153 63.096 63.200 0.082 0.000 0.844 416 S HN 0.288 nan 8.310 nan 0.000 0.459 417 L N 0.617 121.930 121.223 0.151 0.000 2.042 417 L HA -0.192 4.149 4.340 0.001 0.000 0.210 417 L C 2.589 179.563 176.870 0.173 0.000 1.076 417 L CA 0.928 55.848 54.840 0.133 0.000 0.749 417 L CB -0.846 41.312 42.059 0.164 0.000 0.893 417 L HN 0.423 nan 8.230 nan 0.000 0.432 418 C N -0.209 119.271 119.300 0.300 0.000 2.413 418 C HA -0.175 4.286 4.460 0.001 0.000 0.277 418 C C 2.744 177.909 174.990 0.292 0.000 1.265 418 C CA 0.410 59.691 59.018 0.438 0.000 1.752 418 C CB -0.823 27.177 27.740 0.432 0.000 1.998 418 C HN 0.433 nan 8.230 nan 0.000 0.489 419 L N 0.132 121.467 121.223 0.187 0.000 2.191 419 L HA -0.114 4.227 4.340 0.001 0.000 0.212 419 L C 2.274 179.243 176.870 0.164 0.000 1.103 419 L CA 1.653 56.606 54.840 0.187 0.000 0.769 419 L CB -0.766 41.356 42.059 0.105 0.000 0.908 419 L HN 0.479 nan 8.230 nan 0.000 0.438 420 L N -0.980 120.278 121.223 0.058 0.000 2.168 420 L HA 0.009 4.350 4.340 0.001 0.000 0.203 420 L C 2.806 179.594 176.870 -0.137 0.000 1.078 420 L CA 0.727 55.539 54.840 -0.047 0.000 0.780 420 L CB -0.594 41.413 42.059 -0.087 0.000 0.939 420 L HN 0.112 nan 8.230 nan 0.000 0.451 421 A N 0.962 123.723 122.820 -0.098 0.000 1.930 421 A HA -0.208 4.112 4.320 0.001 0.000 0.217 421 A C 2.112 179.635 177.584 -0.101 0.000 1.175 421 A CA 1.411 53.360 52.037 -0.147 0.000 0.627 421 A CB -0.936 17.930 19.000 -0.225 0.000 0.815 421 A HN 0.722 nan 8.150 nan 0.000 0.443 422 W N -0.247 120.870 121.300 -0.304 0.000 2.468 422 W HA -0.134 4.527 4.660 0.001 0.000 0.262 422 W C 1.043 177.305 176.519 -0.427 0.000 1.241 422 W CA 1.196 58.208 57.345 -0.556 0.000 1.232 422 W CB -1.014 27.794 29.460 -1.087 0.000 1.124 422 W HN 0.485 nan 8.180 nan 0.000 0.597 423 H N 1.175 119.522 119.070 -1.206 0.000 2.524 423 H HA -0.024 4.533 4.556 0.001 0.000 0.282 423 H C 1.470 176.370 175.328 -0.713 0.000 1.016 423 H CA 1.001 56.290 56.048 -1.265 0.000 1.270 423 H CB -0.421 28.704 29.762 -1.061 0.000 1.394 423 H HN 0.314 nan 8.280 nan 0.000 0.568 424 N N 0.706 119.207 118.700 -0.331 0.000 2.571 424 N HA -0.013 4.728 4.740 0.001 0.000 0.189 424 N C 0.695 176.106 175.510 -0.166 0.000 1.154 424 N CA 0.828 53.750 53.050 -0.215 0.000 0.907 424 N CB 0.579 38.976 38.487 -0.150 0.000 0.977 424 N HN 0.399 nan 8.380 nan 0.000 0.449 425 G N 1.205 109.912 108.800 -0.155 0.000 2.663 425 G HA2 -0.216 3.745 3.960 0.001 0.000 0.686 425 G HA3 -0.216 3.745 3.960 0.001 0.000 0.686 425 G C 0.355 175.204 174.900 -0.086 0.000 1.246 425 G CA -0.094 44.943 45.100 -0.106 0.000 0.795 425 G HN 0.218 nan 8.290 nan 0.000 0.627 426 E N -0.291 119.599 120.200 -0.516 0.000 2.085 426 E HA -0.193 4.158 4.350 0.001 0.000 0.194 426 E C 2.005 178.484 176.600 -0.201 0.000 0.994 426 E CA 1.849 57.799 56.400 -0.750 0.000 0.801 426 E CB -0.056 28.995 29.700 -1.082 0.000 0.743 426 E HN 0.650 nan 8.360 nan 0.000 0.453 427 E N -0.093 120.013 120.200 -0.156 0.000 2.047 427 E HA -0.219 4.132 4.350 0.001 0.000 0.191 427 E C 2.039 178.641 176.600 0.003 0.000 0.987 427 E CA 1.015 57.375 56.400 -0.066 0.000 0.799 427 E CB 0.077 29.736 29.700 -0.069 0.000 0.752 427 E HN 0.229 nan 8.360 nan 0.000 0.449 428 E N -0.081 120.129 120.200 0.017 0.000 2.077 428 E HA -0.191 4.160 4.350 0.001 0.000 0.193 428 E C 1.876 178.572 176.600 0.160 0.000 0.989 428 E CA 0.840 57.279 56.400 0.064 0.000 0.800 428 E CB -0.404 29.307 29.700 0.018 0.000 0.746 428 E HN 0.390 nan 8.360 nan 0.000 0.452 429 Y N 2.361 122.709 120.300 0.080 0.000 2.181 429 Y HA -0.173 4.378 4.550 0.001 0.000 0.288 429 Y C 1.887 177.915 175.900 0.213 0.000 1.146 429 Y CA 1.568 59.788 58.100 0.199 0.000 1.164 429 Y CB -0.204 38.432 38.460 0.294 0.000 0.982 429 Y HN 0.022 nan 8.280 nan 0.000 0.515 430 N N 0.430 119.184 118.700 0.091 0.000 2.223 430 N HA -0.167 4.574 4.740 0.001 0.000 0.185 430 N C 1.839 177.335 175.510 -0.023 0.000 1.016 430 N CA 1.174 54.215 53.050 -0.015 0.000 0.863 430 N CB -0.336 38.160 38.487 0.015 0.000 0.983 430 N HN 0.394 nan 8.380 nan 0.000 0.429 431 K N -0.033 120.389 120.400 0.036 0.000 2.057 431 K HA -0.117 4.203 4.320 0.001 0.000 0.207 431 K C 1.893 178.558 176.600 0.108 0.000 1.049 431 K CA 0.770 57.089 56.287 0.055 0.000 0.931 431 K CB -0.228 32.319 32.500 0.079 0.000 0.714 431 K HN 0.040 nan 8.250 nan 0.000 0.440 432 F N 2.095 122.037 119.950 -0.013 0.000 2.069 432 F HA -0.215 4.313 4.527 0.001 0.000 0.298 432 F C 1.863 177.626 175.800 -0.063 0.000 1.113 432 F CA 1.412 59.433 58.000 0.035 0.000 1.214 432 F CB -0.529 38.474 39.000 0.006 0.000 0.978 432 F HN -0.041 nan 8.300 nan 0.000 0.474 433 L N -0.266 120.783 121.223 -0.290 0.000 2.079 433 L HA -0.251 4.090 4.340 0.001 0.000 0.210 433 L C 2.754 179.483 176.870 -0.234 0.000 1.081 433 L CA 1.246 55.860 54.840 -0.377 0.000 0.752 433 L CB -1.291 40.559 42.059 -0.349 0.000 0.896 433 L HN 0.282 nan 8.230 nan 0.000 0.433 434 A N 0.001 122.732 122.820 -0.149 0.000 1.877 434 A HA -0.226 4.095 4.320 0.001 0.000 0.216 434 A C 2.354 179.858 177.584 -0.132 0.000 1.186 434 A CA 1.671 53.642 52.037 -0.111 0.000 0.620 434 A CB -0.380 18.574 19.000 -0.076 0.000 0.822 434 A HN 0.284 nan 8.150 nan 0.000 0.443 435 K N -0.593 119.708 120.400 -0.165 0.000 2.063 435 K HA -0.111 4.209 4.320 0.001 0.000 0.208 435 K C 1.882 178.365 176.600 -0.196 0.000 1.048 435 K CA 1.590 57.719 56.287 -0.263 0.000 0.928 435 K CB -0.426 31.782 32.500 -0.487 0.000 0.713 435 K HN 0.554 nan 8.250 nan 0.000 0.442 436 I N 0.778 121.238 120.570 -0.183 0.000 2.208 436 I HA -0.294 3.877 4.170 0.001 0.000 0.245 436 I C 2.002 178.146 176.117 0.046 0.000 1.097 436 I CA 1.400 62.633 61.300 -0.111 0.000 1.363 436 I CB -0.152 37.601 38.000 -0.412 0.000 1.051 436 I HN 0.127 nan 8.210 nan 0.000 0.413 437 R N 0.337 120.807 120.500 -0.050 0.000 2.323 437 R HA -0.019 4.322 4.340 0.001 0.000 0.198 437 R C 2.044 178.331 176.300 -0.022 0.000 0.988 437 R CA 0.854 56.941 56.100 -0.021 0.000 1.041 437 R CB -0.171 30.100 30.300 -0.049 0.000 0.926 437 R HN 0.404 nan 8.270 nan 0.000 0.476 438 S N -0.456 115.223 115.700 -0.036 0.000 2.607 438 S HA 0.018 4.489 4.470 0.001 0.000 0.224 438 S C 0.798 175.372 174.600 -0.044 0.000 0.969 438 S CA -0.134 58.033 58.200 -0.055 0.000 0.927 438 S CB -0.152 62.990 63.200 -0.096 0.000 0.772 438 S HN 0.101 nan 8.310 nan 0.000 0.533 439 V N -3.987 115.915 119.914 -0.019 0.000 2.962 439 V HA 0.605 4.725 4.120 0.001 0.000 0.313 439 V C -2.443 173.623 176.094 -0.047 0.000 1.099 439 V CA -2.389 59.880 62.300 -0.053 0.000 0.971 439 V CB 1.400 33.159 31.823 -0.107 0.000 1.028 439 V HN -0.162 nan 8.190 nan 0.000 0.430 440 P HA -0.070 nan 4.420 nan 0.000 0.215 440 P C 1.688 178.964 177.300 -0.040 0.000 1.157 440 P CA 1.652 64.724 63.100 -0.047 0.000 0.874 440 P CB 0.164 31.832 31.700 -0.054 0.000 0.790 441 I N -0.796 119.725 120.570 -0.082 0.000 2.264 441 I HA -0.201 3.969 4.170 0.001 0.000 0.248 441 I C 2.434 178.581 176.117 0.050 0.000 1.111 441 I CA 1.761 63.025 61.300 -0.060 0.000 1.382 441 I CB -1.042 36.863 38.000 -0.158 0.000 1.060 441 I HN 0.007 nan 8.210 nan 0.000 0.418 442 G N 0.208 109.074 108.800 0.109 0.000 2.442 442 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 442 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 442 G C 1.784 176.742 174.900 0.097 0.000 1.141 442 G CA 0.522 45.781 45.100 0.265 0.000 0.763 442 G HN 0.309 nan 8.290 nan 0.000 0.554 443 R N 0.195 120.721 120.500 0.044 0.000 2.280 443 R HA 0.197 4.538 4.340 0.001 0.000 0.207 443 R C 2.542 178.852 176.300 0.016 0.000 1.043 443 R CA 0.611 56.720 56.100 0.015 0.000 1.006 443 R CB -0.028 30.272 30.300 -0.000 0.000 0.885 443 R HN 0.344 nan 8.270 nan 0.000 0.467 444 A N 0.436 123.271 122.820 0.026 0.000 2.251 444 A HA 0.151 4.471 4.320 0.001 0.000 0.209 444 A C 0.566 178.169 177.584 0.032 0.000 1.187 444 A CA 0.086 52.136 52.037 0.023 0.000 0.823 444 A CB 0.097 19.108 19.000 0.019 0.000 0.846 444 A HN 0.083 nan 8.150 nan 0.000 0.486 445 L N 0.299 121.546 121.223 0.040 0.000 2.312 445 L HA 0.329 4.669 4.340 0.001 0.000 0.281 445 L C -0.519 176.362 176.870 0.019 0.000 1.070 445 L CA -0.789 54.072 54.840 0.036 0.000 0.805 445 L CB 1.105 43.189 42.059 0.042 0.000 1.174 445 L HN 0.081 nan 8.230 nan 0.000 0.434 446 D N 4.028 124.440 120.400 0.020 0.000 2.411 446 D HA 0.413 5.054 4.640 0.001 0.000 0.225 446 D C -0.826 175.486 176.300 0.021 0.000 1.156 446 D CA -0.018 53.992 54.000 0.017 0.000 0.874 446 D CB 0.424 41.234 40.800 0.017 0.000 1.034 446 D HN 0.280 nan 8.370 nan 0.000 0.502 447 L N 4.776 126.012 121.223 0.020 0.000 2.334 447 L HA 0.538 4.879 4.340 0.001 0.000 0.276 447 L C -1.933 174.978 176.870 0.069 0.000 1.014 447 L CA -2.086 52.777 54.840 0.039 0.000 0.815 447 L CB 1.767 43.829 42.059 0.006 0.000 1.268 447 L HN 0.301 nan 8.230 nan 0.000 0.428 448 P HA 0.172 nan 4.420 nan 0.000 0.275 448 P C -0.744 176.662 177.300 0.177 0.000 1.227 448 P CA -0.438 62.707 63.100 0.075 0.000 0.781 448 P CB 0.684 32.381 31.700 -0.004 0.000 0.906 449 E N 1.163 121.435 120.200 0.119 0.000 2.373 449 E HA 0.002 4.353 4.350 0.001 0.000 0.263 449 E C 0.840 177.534 176.600 0.156 0.000 1.073 449 E CA -0.339 56.182 56.400 0.201 0.000 0.894 449 E CB 0.349 30.127 29.700 0.129 0.000 1.008 449 E HN 0.492 nan 8.360 nan 0.000 0.420 450 Y N 2.709 123.108 120.300 0.165 0.000 2.102 450 Y HA -0.349 4.202 4.550 0.001 0.000 0.280 450 Y C 2.291 178.136 175.900 -0.092 0.000 1.178 450 Y CA 2.720 60.801 58.100 -0.031 0.000 1.146 450 Y CB -0.099 38.438 38.460 0.129 0.000 0.968 450 Y HN 0.552 nan 8.280 nan 0.000 0.504 451 S N -1.976 113.829 115.700 0.175 0.000 2.399 451 S HA -0.182 4.288 4.470 0.001 0.000 0.231 451 S C 1.848 176.429 174.600 -0.031 0.000 1.022 451 S CA 1.523 59.813 58.200 0.151 0.000 0.983 451 S CB -0.999 62.316 63.200 0.192 0.000 0.803 451 S HN 0.514 nan 8.310 nan 0.000 0.480 452 T N 2.863 117.357 114.554 -0.101 0.000 2.777 452 T HA 0.175 4.526 4.350 0.001 0.000 0.266 452 T C 1.711 176.219 174.700 -0.319 0.000 1.040 452 T CA 1.235 63.243 62.100 -0.153 0.000 1.141 452 T CB -0.436 68.365 68.868 -0.112 0.000 0.868 452 T HN 0.301 nan 8.240 nan 0.000 0.444 453 L N -0.413 120.458 121.223 -0.585 0.000 2.056 453 L HA -0.054 4.287 4.340 0.001 0.000 0.207 453 L C 2.424 178.586 176.870 -1.180 0.000 1.078 453 L CA 1.343 55.546 54.840 -1.062 0.000 0.749 453 L CB -0.537 40.456 42.059 -1.777 0.000 0.901 453 L HN 0.234 nan 8.230 nan 0.000 0.433 454 Y N 1.275 120.854 120.300 -1.202 0.000 2.181 454 Y HA -0.276 4.275 4.550 0.001 0.000 0.288 454 Y C 2.803 178.659 175.900 -0.074 0.000 1.146 454 Y CA 1.774 59.541 58.100 -0.555 0.000 1.164 454 Y CB -0.296 37.980 38.460 -0.307 0.000 0.982 454 Y HN 0.039 nan 8.280 nan 0.000 0.515 455 R N 0.511 120.908 120.500 -0.172 0.000 2.092 455 R HA -0.103 4.238 4.340 0.001 0.000 0.231 455 R C 2.474 178.693 176.300 -0.136 0.000 1.119 455 R CA 1.651 57.650 56.100 -0.169 0.000 0.970 455 R CB -0.521 29.725 30.300 -0.090 0.000 0.864 455 R HN 0.280 nan 8.270 nan 0.000 0.440 456 R N -0.944 119.470 120.500 -0.143 0.000 2.075 456 R HA -0.166 4.175 4.340 0.001 0.000 0.232 456 R C 1.796 178.099 176.300 0.005 0.000 1.126 456 R CA 1.709 57.751 56.100 -0.096 0.000 0.963 456 R CB -0.528 29.688 30.300 -0.140 0.000 0.858 456 R HN 0.387 nan 8.270 nan 0.000 0.435 457 W N 1.433 122.653 121.300 -0.132 0.000 2.332 457 W HA -0.204 4.457 4.660 0.001 0.000 0.321 457 W C 1.709 178.285 176.519 0.094 0.000 1.219 457 W CA 1.593 58.983 57.345 0.075 0.000 1.277 457 W CB -0.727 28.985 29.460 0.419 0.000 1.161 457 W HN 0.022 nan 8.180 nan 0.000 0.476 458 L N 0.353 121.550 121.223 -0.044 0.000 2.021 458 L HA -0.310 4.031 4.340 0.001 0.000 0.215 458 L C 2.158 178.941 176.870 -0.146 0.000 1.074 458 L CA 2.056 56.745 54.840 -0.252 0.000 0.760 458 L CB -1.253 40.563 42.059 -0.406 0.000 0.889 458 L HN -0.033 nan 8.230 nan 0.000 0.433 459 D N -0.275 120.047 120.400 -0.129 0.000 2.178 459 D HA -0.147 4.494 4.640 0.001 0.000 0.201 459 D C 2.356 178.587 176.300 -0.115 0.000 0.980 459 D CA 1.559 55.497 54.000 -0.104 0.000 0.842 459 D CB -0.129 40.619 40.800 -0.087 0.000 0.948 459 D HN 0.380 nan 8.370 nan 0.000 0.472 460 S N -0.867 114.725 115.700 -0.180 0.000 2.507 460 S HA -0.052 4.418 4.470 0.001 0.000 0.235 460 S C 0.792 175.154 174.600 -0.397 0.000 0.988 460 S CA -0.008 58.029 58.200 -0.272 0.000 0.944 460 S CB -0.432 62.589 63.200 -0.299 0.000 0.762 460 S HN 0.032 nan 8.310 nan 0.000 0.526 461 F N 0.000 119.813 119.950 -0.228 0.000 2.286 461 F HA 0.000 4.528 4.527 0.001 0.000 0.279 461 F CA 0.000 57.881 58.000 -0.198 0.000 1.383 461 F CB 0.000 38.826 39.000 -0.290 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574