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 1g8l_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.868 176.870 -0.003 0.000 1.165 7 L CA 0.000 54.855 54.840 0.024 0.000 0.813 7 L CB 0.000 42.083 42.059 0.039 0.000 0.961 8 M N 1.660 121.250 119.600 -0.017 0.000 2.216 8 M HA 0.370 4.844 4.480 -0.009 0.000 0.356 8 M C 0.313 176.557 176.300 -0.094 0.000 1.205 8 M CA -0.171 55.078 55.300 -0.086 0.000 1.122 8 M CB 1.438 33.937 32.600 -0.168 0.000 1.571 8 M HN 0.287 nan 8.290 nan 0.000 0.464 9 S N 5.175 120.809 115.700 -0.110 0.000 2.549 9 S HA 0.101 4.565 4.470 -0.009 0.000 0.279 9 S C 1.048 175.572 174.600 -0.127 0.000 1.321 9 S CA -0.757 57.387 58.200 -0.093 0.000 1.054 9 S CB 0.794 63.944 63.200 -0.083 0.000 0.899 9 S HN 0.991 nan 8.310 nan 0.000 0.497 10 L N 2.113 123.290 121.223 -0.076 0.000 1.990 10 L HA -0.176 4.158 4.340 -0.009 0.000 0.213 10 L C 2.336 179.134 176.870 -0.121 0.000 1.072 10 L CA 2.692 57.482 54.840 -0.083 0.000 0.755 10 L CB -0.812 41.252 42.059 0.009 0.000 0.889 10 L HN 1.019 nan 8.230 nan 0.000 0.432 11 D N -1.200 119.147 120.400 -0.088 0.000 2.133 11 D HA -0.220 4.414 4.640 -0.009 0.000 0.195 11 D C 1.883 178.101 176.300 -0.138 0.000 0.997 11 D CA 2.036 55.979 54.000 -0.095 0.000 0.840 11 D CB 0.150 40.909 40.800 -0.068 0.000 0.947 11 D HN 0.261 nan 8.370 nan 0.000 0.452 12 T N -0.644 113.813 114.554 -0.162 0.000 2.777 12 T HA -0.076 4.268 4.350 -0.009 0.000 0.266 12 T C 1.888 176.400 174.700 -0.314 0.000 1.040 12 T CA 1.406 63.384 62.100 -0.202 0.000 1.141 12 T CB -0.499 68.249 68.868 -0.200 0.000 0.868 12 T HN 0.306 nan 8.240 nan 0.000 0.444 13 A N 1.296 123.866 122.820 -0.417 0.000 1.858 13 A HA 0.030 4.344 4.320 -0.009 0.000 0.216 13 A C 2.305 179.659 177.584 -0.384 0.000 1.190 13 A CA 1.125 52.755 52.037 -0.678 0.000 0.617 13 A CB -0.953 17.687 19.000 -0.599 0.000 0.827 13 A HN 0.459 nan 8.150 nan 0.000 0.443 14 L N -0.328 120.742 121.223 -0.255 0.000 2.017 14 L HA -0.255 4.080 4.340 -0.009 0.000 0.208 14 L C 2.283 179.041 176.870 -0.187 0.000 1.073 14 L CA 2.276 56.991 54.840 -0.208 0.000 0.745 14 L CB -0.659 41.294 42.059 -0.178 0.000 0.894 14 L HN 0.544 nan 8.230 nan 0.000 0.432 15 N N -0.591 118.011 118.700 -0.164 0.000 2.104 15 N HA -0.287 4.447 4.740 -0.009 0.000 0.190 15 N C 1.744 177.184 175.510 -0.116 0.000 1.024 15 N CA 1.573 54.547 53.050 -0.127 0.000 0.853 15 N CB 0.001 38.424 38.487 -0.106 0.000 1.008 15 N HN 0.371 nan 8.380 nan 0.000 0.424 16 E N 0.415 120.536 120.200 -0.132 0.000 2.072 16 E HA -0.146 4.199 4.350 -0.009 0.000 0.191 16 E C 1.930 178.508 176.600 -0.038 0.000 0.985 16 E CA 0.784 57.149 56.400 -0.058 0.000 0.801 16 E CB 0.112 29.780 29.700 -0.054 0.000 0.750 16 E HN 0.340 nan 8.360 nan 0.000 0.452 17 M N 0.267 119.788 119.600 -0.131 0.000 2.086 17 M HA -0.194 4.280 4.480 -0.009 0.000 0.261 17 M C 2.273 178.378 176.300 -0.324 0.000 1.067 17 M CA 1.381 56.436 55.300 -0.408 0.000 1.116 17 M CB -0.153 32.078 32.600 -0.615 0.000 1.348 17 M HN 0.202 nan 8.290 nan 0.000 0.407 18 L N -0.445 120.638 121.223 -0.234 0.000 2.141 18 L HA -0.170 4.165 4.340 -0.009 0.000 0.209 18 L C 2.682 179.479 176.870 -0.122 0.000 1.094 18 L CA 1.381 56.110 54.840 -0.185 0.000 0.763 18 L CB -0.827 41.145 42.059 -0.145 0.000 0.908 18 L HN 0.431 nan 8.230 nan 0.000 0.437 19 S N -0.106 115.547 115.700 -0.079 0.000 2.447 19 S HA -0.109 4.355 4.470 -0.009 0.000 0.233 19 S C 1.909 176.521 174.600 0.019 0.000 1.006 19 S CA 0.413 58.600 58.200 -0.022 0.000 0.957 19 S CB -0.200 62.999 63.200 -0.003 0.000 0.773 19 S HN 0.446 nan 8.310 nan 0.000 0.507 20 R N 0.465 120.968 120.500 0.006 0.000 2.254 20 R HA 0.302 4.636 4.340 -0.009 0.000 0.195 20 R C 0.014 176.381 176.300 0.111 0.000 0.957 20 R CA 0.120 56.291 56.100 0.117 0.000 1.024 20 R CB -0.280 30.156 30.300 0.226 0.000 0.952 20 R HN 0.315 nan 8.270 nan 0.000 0.484 21 V N 2.261 122.103 119.914 -0.120 0.000 2.546 21 V HA 0.118 4.232 4.120 -0.009 0.000 0.284 21 V C 0.232 176.371 176.094 0.075 0.000 1.050 21 V CA 0.204 62.452 62.300 -0.086 0.000 0.981 21 V CB 1.692 33.316 31.823 -0.332 0.000 0.990 21 V HN 0.089 nan 8.190 nan 0.000 0.474 22 T N 7.321 121.987 114.554 0.187 0.000 2.770 22 T HA 0.412 4.756 4.350 -0.009 0.000 0.283 22 T C -2.516 172.251 174.700 0.113 0.000 0.988 22 T CA -1.019 61.163 62.100 0.137 0.000 0.957 22 T CB 1.559 70.523 68.868 0.160 0.000 0.930 22 T HN 0.456 nan 8.240 nan 0.000 0.443 23 P HA 0.143 nan 4.420 nan 0.000 0.266 23 P C -0.185 177.149 177.300 0.058 0.000 1.195 23 P CA -0.718 62.410 63.100 0.048 0.000 0.768 23 P CB 0.379 32.094 31.700 0.024 0.000 0.838 24 L N 2.578 123.835 121.223 0.056 0.000 2.492 24 L HA 0.053 4.388 4.340 -0.009 0.000 0.280 24 L C 1.664 178.556 176.870 0.037 0.000 1.240 24 L CA 1.377 56.248 54.840 0.052 0.000 0.831 24 L CB -0.513 41.573 42.059 0.046 0.000 1.100 24 L HN 0.609 nan 8.230 nan 0.000 0.505 25 T N -2.210 112.364 114.554 0.033 0.000 2.966 25 T HA 0.377 4.722 4.350 -0.009 0.000 0.254 25 T C 0.617 175.330 174.700 0.021 0.000 0.961 25 T CA 0.270 62.385 62.100 0.025 0.000 0.915 25 T CB -0.095 68.788 68.868 0.026 0.000 1.186 25 T HN 0.605 nan 8.240 nan 0.000 0.505 26 A N 2.496 125.329 122.820 0.023 0.000 2.561 26 A HA 0.477 4.791 4.320 -0.009 0.000 0.234 26 A C 0.358 177.952 177.584 0.017 0.000 1.055 26 A CA -0.095 51.953 52.037 0.019 0.000 0.756 26 A CB -0.125 18.887 19.000 0.020 0.000 0.986 26 A HN 0.781 nan 8.150 nan 0.000 0.505 27 Q N 0.832 120.640 119.800 0.014 0.000 2.528 27 Q HA 0.772 5.107 4.340 -0.009 0.000 0.289 27 Q C -1.047 174.961 176.000 0.012 0.000 1.091 27 Q CA -0.910 54.901 55.803 0.013 0.000 0.797 27 Q CB 1.686 30.431 28.738 0.012 0.000 1.466 27 Q HN 0.801 nan 8.270 nan 0.000 0.436 28 E N 0.074 120.281 120.200 0.011 0.000 2.366 28 E HA 0.469 4.813 4.350 -0.009 0.000 0.278 28 E C -1.347 175.259 176.600 0.011 0.000 0.923 28 E CA -0.981 55.426 56.400 0.011 0.000 0.761 28 E CB 2.152 31.858 29.700 0.012 0.000 1.231 28 E HN 0.499 nan 8.360 nan 0.000 0.443 29 T N 2.733 117.294 114.554 0.011 0.000 2.749 29 T HA 0.489 4.834 4.350 -0.009 0.000 0.287 29 T C -0.365 174.342 174.700 0.013 0.000 0.970 29 T CA -0.417 61.690 62.100 0.012 0.000 0.980 29 T CB 0.219 69.095 68.868 0.013 0.000 0.924 29 T HN 0.292 nan 8.240 nan 0.000 0.456 30 L N 5.289 126.519 121.223 0.013 0.000 2.370 30 L HA 0.540 4.875 4.340 -0.009 0.000 0.266 30 L C -2.232 174.647 176.870 0.016 0.000 1.002 30 L CA -2.832 52.016 54.840 0.014 0.000 0.818 30 L CB 2.507 44.574 42.059 0.014 0.000 1.325 30 L HN 0.346 nan 8.230 nan 0.000 0.418 31 P HA 0.074 nan 4.420 nan 0.000 0.268 31 P C 0.875 178.188 177.300 0.022 0.000 1.205 31 P CA -0.176 62.936 63.100 0.019 0.000 0.771 31 P CB 0.849 32.560 31.700 0.019 0.000 0.858 32 L N 2.842 124.079 121.223 0.022 0.000 2.089 32 L HA -0.188 4.147 4.340 -0.009 0.000 0.213 32 L C 2.544 179.434 176.870 0.034 0.000 1.079 32 L CA 1.420 56.274 54.840 0.023 0.000 0.758 32 L CB -0.995 41.079 42.059 0.025 0.000 0.891 32 L HN 0.237 nan 8.230 nan 0.000 0.433 33 V N -0.173 119.763 119.914 0.037 0.000 2.867 33 V HA -0.258 3.857 4.120 -0.009 0.000 0.260 33 V C 1.903 178.030 176.094 0.054 0.000 1.099 33 V CA 1.723 64.051 62.300 0.046 0.000 1.122 33 V CB -0.283 31.559 31.823 0.032 0.000 0.708 33 V HN 0.575 nan 8.190 nan 0.000 0.490 34 Q N -2.216 117.611 119.800 0.046 0.000 2.220 34 Q HA 0.135 4.470 4.340 -0.009 0.000 0.205 34 Q C 1.453 177.486 176.000 0.055 0.000 0.865 34 Q CA 0.171 56.003 55.803 0.048 0.000 0.960 34 Q CB 0.373 29.131 28.738 0.033 0.000 1.097 34 Q HN 0.633 nan 8.270 nan 0.000 0.493 35 C N 0.486 119.819 119.300 0.055 0.000 2.754 35 C HA 0.218 4.672 4.460 -0.009 0.000 0.276 35 C C 0.620 175.621 174.990 0.019 0.000 1.264 35 C CA -0.776 58.256 59.018 0.024 0.000 1.700 35 C CB -1.315 26.417 27.740 -0.013 0.000 1.885 35 C HN 0.431 nan 8.230 nan 0.000 0.607 36 F N 1.348 121.281 119.950 -0.029 0.000 2.608 36 F HA 0.407 4.928 4.527 -0.010 0.000 0.380 36 F C 1.438 177.219 175.800 -0.032 0.000 1.083 36 F CA 2.004 59.984 58.000 -0.034 0.000 1.266 36 F CB 0.463 39.448 39.000 -0.026 0.000 1.076 36 F HN 0.457 nan 8.300 nan 0.000 0.574 37 G N 3.962 112.520 108.800 -0.403 0.000 2.184 37 G HA2 -0.273 3.682 3.960 -0.009 0.000 0.264 37 G HA3 -0.273 3.682 3.960 -0.009 0.000 0.264 37 G C 0.435 175.271 174.900 -0.107 0.000 0.975 37 G CA -0.139 44.861 45.100 -0.167 0.000 0.642 37 G HN 0.603 nan 8.290 nan 0.000 0.536 38 R N 0.202 120.638 120.500 -0.106 0.000 2.500 38 R HA 0.510 4.844 4.340 -0.009 0.000 0.275 38 R C 0.594 176.839 176.300 -0.092 0.000 1.051 38 R CA -0.716 55.343 56.100 -0.068 0.000 1.088 38 R CB 0.637 30.914 30.300 -0.038 0.000 1.063 38 R HN 0.219 nan 8.270 nan 0.000 0.511 39 I N 3.415 123.948 120.570 -0.060 0.000 2.342 39 I HA 0.181 4.345 4.170 -0.009 0.000 0.291 39 I C 0.967 177.059 176.117 -0.042 0.000 1.010 39 I CA -0.697 60.569 61.300 -0.057 0.000 1.308 39 I CB 0.360 38.338 38.000 -0.037 0.000 1.400 39 I HN 0.340 nan 8.210 nan 0.000 0.488 40 L N 5.137 126.333 121.223 -0.045 0.000 2.559 40 L HA -0.017 4.317 4.340 -0.009 0.000 0.274 40 L C 1.455 178.323 176.870 -0.003 0.000 1.205 40 L CA 0.042 54.870 54.840 -0.020 0.000 0.907 40 L CB 1.067 43.124 42.059 -0.003 0.000 1.153 40 L HN 0.822 nan 8.230 nan 0.000 0.490 41 A N 2.938 125.760 122.820 0.004 0.000 1.975 41 A HA 0.105 4.419 4.320 -0.009 0.000 0.215 41 A C 0.833 178.426 177.584 0.015 0.000 1.170 41 A CA 0.548 52.590 52.037 0.009 0.000 0.656 41 A CB 0.159 19.164 19.000 0.009 0.000 0.821 41 A HN 0.643 nan 8.150 nan 0.000 0.449 42 S N 0.245 115.957 115.700 0.020 0.000 2.569 42 S HA 0.426 4.890 4.470 -0.009 0.000 0.280 42 S C -1.650 172.971 174.600 0.035 0.000 1.111 42 S CA -0.923 57.291 58.200 0.024 0.000 0.887 42 S CB 1.370 64.583 63.200 0.021 0.000 1.095 42 S HN 0.305 nan 8.310 nan 0.000 0.476 43 D N 1.604 122.024 120.400 0.033 0.000 2.525 43 D HA 0.132 4.767 4.640 -0.009 0.000 0.235 43 D C -0.356 175.972 176.300 0.047 0.000 1.137 43 D CA 0.397 54.422 54.000 0.042 0.000 0.868 43 D CB 0.404 41.218 40.800 0.023 0.000 1.180 43 D HN 0.128 nan 8.370 nan 0.000 0.465 44 V N 3.610 123.568 119.914 0.073 0.000 2.385 44 V HA 0.164 4.278 4.120 -0.009 0.000 0.269 44 V C 0.325 176.430 176.094 0.019 0.000 1.043 44 V CA -0.600 61.744 62.300 0.072 0.000 0.906 44 V CB 1.476 33.394 31.823 0.158 0.000 0.995 44 V HN 0.223 nan 8.190 nan 0.000 0.467 45 V N 4.286 124.205 119.914 0.009 0.000 2.472 45 V HA 0.341 4.456 4.120 -0.009 0.000 0.290 45 V C 0.552 176.635 176.094 -0.017 0.000 1.037 45 V CA -0.318 61.974 62.300 -0.013 0.000 0.908 45 V CB 1.948 33.768 31.823 -0.005 0.000 0.985 45 V HN 0.856 nan 8.190 nan 0.000 0.454 46 S N 6.084 121.762 115.700 -0.037 0.000 2.481 46 S HA 0.270 4.734 4.470 -0.009 0.000 0.276 46 S C -1.176 173.414 174.600 -0.016 0.000 1.247 46 S CA -1.074 57.107 58.200 -0.033 0.000 1.053 46 S CB 0.947 64.115 63.200 -0.053 0.000 0.925 46 S HN 0.684 nan 8.310 nan 0.000 0.491 47 P HA 0.159 nan 4.420 nan 0.000 0.236 47 P C -0.403 176.899 177.300 0.003 0.000 1.177 47 P CA 0.457 63.559 63.100 0.003 0.000 0.773 47 P CB -0.074 31.632 31.700 0.010 0.000 0.878 48 L N -2.364 118.859 121.223 -0.001 0.000 2.341 48 L HA 0.596 4.931 4.340 -0.009 0.000 0.254 48 L C -0.434 176.430 176.870 -0.010 0.000 1.040 48 L CA -1.261 53.581 54.840 0.002 0.000 0.837 48 L CB 0.953 43.019 42.059 0.012 0.000 1.425 48 L HN -0.406 nan 8.230 nan 0.000 0.414 49 D N 0.943 121.339 120.400 -0.006 0.000 2.210 49 D HA 0.509 5.144 4.640 -0.009 0.000 0.249 49 D C -0.911 175.365 176.300 -0.039 0.000 1.078 49 D CA 0.031 54.018 54.000 -0.021 0.000 0.875 49 D CB 2.445 43.239 40.800 -0.011 0.000 1.175 49 D HN 0.169 nan 8.370 nan 0.000 0.440 50 V N 5.002 124.881 119.914 -0.058 0.000 2.482 50 V HA 0.296 4.410 4.120 -0.009 0.000 0.295 50 V C -2.159 173.875 176.094 -0.099 0.000 1.026 50 V CA -1.516 60.736 62.300 -0.080 0.000 0.856 50 V CB 2.063 33.847 31.823 -0.065 0.000 1.001 50 V HN 0.415 nan 8.190 nan 0.000 0.424 51 P HA 0.178 nan 4.420 nan 0.000 0.274 51 P C 0.893 178.060 177.300 -0.222 0.000 1.256 51 P CA -0.021 62.935 63.100 -0.239 0.000 0.795 51 P CB 1.260 32.731 31.700 -0.382 0.000 1.038 52 G N -0.219 108.431 108.800 -0.250 0.000 2.572 52 G HA2 0.148 4.102 3.960 -0.009 0.000 0.216 52 G HA3 0.148 4.102 3.960 -0.009 0.000 0.216 52 G C 0.056 175.016 174.900 0.100 0.000 1.133 52 G CA 0.201 45.287 45.100 -0.023 0.000 0.791 52 G HN 0.608 nan 8.290 nan 0.000 0.538 53 F N -2.095 117.862 119.950 0.011 0.000 2.668 53 F HA 0.534 5.058 4.527 -0.005 0.000 0.309 53 F C -1.583 174.225 175.800 0.012 0.000 1.117 53 F CA -2.243 55.766 58.000 0.014 0.000 0.951 53 F CB 0.490 39.500 39.000 0.016 0.000 1.323 53 F HN -0.318 nan 8.300 nan 0.000 0.451 54 D N 2.752 123.268 120.400 0.194 0.000 2.434 54 D HA 0.180 4.815 4.640 -0.009 0.000 0.252 54 D C -0.414 175.996 176.300 0.182 0.000 1.185 54 D CA 0.576 54.641 54.000 0.108 0.000 0.886 54 D CB 0.306 41.171 40.800 0.109 0.000 1.148 54 D HN 0.732 nan 8.370 nan 0.000 0.483 55 N N -0.214 118.521 118.700 0.058 0.000 2.571 55 N HA 0.230 4.964 4.740 -0.009 0.000 0.273 55 N C -1.026 174.510 175.510 0.043 0.000 1.340 55 N CA -0.765 52.348 53.050 0.104 0.000 0.789 55 N CB 1.459 39.989 38.487 0.072 0.000 1.514 55 N HN 0.119 nan 8.380 nan 0.000 0.499 56 S N -0.832 114.898 115.700 0.050 0.000 2.523 56 S HA 0.442 4.906 4.470 -0.009 0.000 0.275 56 S C 1.066 175.674 174.600 0.014 0.000 1.281 56 S CA -0.090 58.125 58.200 0.026 0.000 1.050 56 S CB 0.319 63.528 63.200 0.015 0.000 0.937 56 S HN 0.690 nan 8.310 nan 0.000 0.492 57 A N 5.736 128.562 122.820 0.010 0.000 2.119 57 A HA 0.267 4.581 4.320 -0.009 0.000 0.216 57 A C 0.799 178.388 177.584 0.007 0.000 1.152 57 A CA 0.760 52.800 52.037 0.005 0.000 0.708 57 A CB -0.122 18.881 19.000 0.005 0.000 0.805 57 A HN 0.760 nan 8.150 nan 0.000 0.460 58 M N -1.181 118.424 119.600 0.008 0.000 2.716 58 M HA 0.351 4.826 4.480 -0.009 0.000 0.278 58 M C -1.903 174.391 176.300 -0.011 0.000 1.281 58 M CA -0.779 54.523 55.300 0.004 0.000 0.814 58 M CB 0.851 33.458 32.600 0.011 0.000 1.719 58 M HN -0.115 nan 8.290 nan 0.000 0.457 59 D N 1.021 121.409 120.400 -0.021 0.000 2.313 59 D HA 0.673 5.307 4.640 -0.009 0.000 0.239 59 D C 0.263 176.501 176.300 -0.103 0.000 1.142 59 D CA 0.592 54.560 54.000 -0.054 0.000 0.847 59 D CB 1.384 42.163 40.800 -0.036 0.000 1.082 59 D HN 0.817 nan 8.370 nan 0.000 0.480 60 G N 1.246 109.917 108.800 -0.216 0.000 2.637 60 G HA2 0.238 4.192 3.960 -0.009 0.000 0.112 60 G HA3 0.238 4.192 3.960 -0.009 0.000 0.112 60 G C -1.725 172.769 174.900 -0.677 0.000 1.181 60 G CA -0.518 44.382 45.100 -0.333 0.000 1.150 60 G HN 0.312 nan 8.290 nan 0.000 0.561 61 Y N 0.493 120.850 120.300 0.096 0.000 2.457 61 Y HA 0.712 5.256 4.550 -0.010 0.000 0.343 61 Y C 0.388 176.338 175.900 0.084 0.000 0.994 61 Y CA -0.424 57.739 58.100 0.105 0.000 1.031 61 Y CB 2.437 41.069 38.460 0.286 0.000 1.246 61 Y HN 0.740 nan 8.280 nan 0.000 0.449 62 A N 2.852 125.734 122.820 0.104 0.000 2.320 62 A HA 0.766 5.080 4.320 -0.009 0.000 0.287 62 A C -0.313 177.420 177.584 0.248 0.000 1.181 62 A CA -0.319 51.756 52.037 0.064 0.000 0.831 62 A CB 0.044 18.945 19.000 -0.165 0.000 1.102 62 A HN 0.900 nan 8.150 nan 0.000 0.513 63 V N 0.634 120.734 119.914 0.309 0.000 3.156 63 V HA 0.897 5.011 4.120 -0.009 0.000 0.310 63 V C -0.742 175.441 176.094 0.149 0.000 1.234 63 V CA -1.373 61.094 62.300 0.279 0.000 1.065 63 V CB 1.808 33.570 31.823 -0.101 0.000 1.088 63 V HN 0.854 nan 8.190 nan 0.000 0.451 64 R N 0.793 121.235 120.500 -0.096 0.000 2.534 64 R HA 0.632 4.966 4.340 -0.009 0.000 0.301 64 R C 0.488 176.698 176.300 -0.151 0.000 0.961 64 R CA -0.789 55.208 56.100 -0.171 0.000 0.871 64 R CB 1.475 31.568 30.300 -0.346 0.000 1.170 64 R HN 0.634 nan 8.270 nan 0.000 0.446 65 L N 2.070 123.230 121.223 -0.105 0.000 2.089 65 L HA -0.233 4.102 4.340 -0.009 0.000 0.213 65 L C 1.954 178.763 176.870 -0.102 0.000 1.079 65 L CA 2.317 57.103 54.840 -0.090 0.000 0.758 65 L CB -1.108 40.915 42.059 -0.059 0.000 0.891 65 L HN 0.940 nan 8.230 nan 0.000 0.433 66 A N -1.123 121.629 122.820 -0.115 0.000 1.930 66 A HA -0.172 4.142 4.320 -0.009 0.000 0.217 66 A C 1.997 179.508 177.584 -0.121 0.000 1.175 66 A CA 1.525 53.498 52.037 -0.108 0.000 0.627 66 A CB -0.434 18.500 19.000 -0.111 0.000 0.815 66 A HN 0.397 nan 8.150 nan 0.000 0.443 67 D N -0.215 120.089 120.400 -0.161 0.000 2.144 67 D HA -0.110 4.525 4.640 -0.009 0.000 0.199 67 D C 1.708 177.918 176.300 -0.151 0.000 0.984 67 D CA 1.022 54.925 54.000 -0.160 0.000 0.834 67 D CB -0.255 40.424 40.800 -0.201 0.000 0.955 67 D HN 0.374 nan 8.370 nan 0.000 0.465 68 I N 1.370 121.830 120.570 -0.183 0.000 2.252 68 I HA -0.195 3.970 4.170 -0.009 0.000 0.245 68 I C 2.379 178.447 176.117 -0.081 0.000 1.102 68 I CA 0.753 61.952 61.300 -0.168 0.000 1.385 68 I CB -0.388 37.502 38.000 -0.183 0.000 1.064 68 I HN -0.107 nan 8.210 nan 0.000 0.414 69 A N -1.087 121.688 122.820 -0.075 0.000 1.986 69 A HA -0.255 4.059 4.320 -0.009 0.000 0.220 69 A C 2.516 180.076 177.584 -0.039 0.000 1.171 69 A CA 2.217 54.225 52.037 -0.049 0.000 0.640 69 A CB -0.999 17.970 19.000 -0.051 0.000 0.811 69 A HN 0.390 nan 8.150 nan 0.000 0.451 70 S N -2.151 113.519 115.700 -0.049 0.000 2.399 70 S HA 0.146 4.611 4.470 -0.009 0.000 0.231 70 S C 1.727 176.316 174.600 -0.018 0.000 1.022 70 S CA 1.804 59.983 58.200 -0.036 0.000 0.983 70 S CB -0.333 62.840 63.200 -0.045 0.000 0.803 70 S HN 1.726 nan 8.310 nan 0.000 0.480 71 G N 0.663 109.455 108.800 -0.012 0.000 2.253 71 G HA2 -0.272 3.682 3.960 -0.009 0.000 0.251 71 G HA3 -0.272 3.682 3.960 -0.009 0.000 0.251 71 G C 0.096 175.014 174.900 0.031 0.000 0.998 71 G CA 0.455 45.563 45.100 0.014 0.000 0.621 71 G HN 0.701 nan 8.290 nan 0.000 0.524 72 Q N 1.461 121.274 119.800 0.022 0.000 2.354 72 Q HA 0.532 4.866 4.340 -0.009 0.000 0.244 72 Q C -2.631 173.405 176.000 0.061 0.000 0.969 72 Q CA -1.582 54.239 55.803 0.030 0.000 0.885 72 Q CB 0.658 29.405 28.738 0.014 0.000 1.241 72 Q HN 0.229 nan 8.270 nan 0.000 0.461 73 P HA 0.080 nan 4.420 nan 0.000 0.267 73 P C -0.862 176.492 177.300 0.090 0.000 1.200 73 P CA 0.259 63.401 63.100 0.071 0.000 0.772 73 P CB 0.344 32.051 31.700 0.013 0.000 0.855 74 L N 4.876 126.196 121.223 0.161 0.000 2.280 74 L HA 0.408 4.742 4.340 -0.009 0.000 0.287 74 L C -2.264 174.662 176.870 0.093 0.000 1.023 74 L CA -2.430 52.497 54.840 0.145 0.000 0.819 74 L CB 1.549 43.735 42.059 0.211 0.000 1.212 74 L HN 0.155 nan 8.230 nan 0.000 0.420 75 P HA 0.039 nan 4.420 nan 0.000 0.271 75 P C -0.411 176.926 177.300 0.062 0.000 1.218 75 P CA -0.280 62.846 63.100 0.044 0.000 0.780 75 P CB 0.819 32.545 31.700 0.044 0.000 0.901 76 V N 3.111 123.051 119.914 0.042 0.000 2.405 76 V HA 0.148 4.262 4.120 -0.009 0.000 0.264 76 V C 1.505 177.608 176.094 0.015 0.000 1.048 76 V CA 0.561 62.888 62.300 0.046 0.000 0.966 76 V CB -0.019 31.846 31.823 0.071 0.000 1.015 76 V HN 0.699 nan 8.190 nan 0.000 0.477 77 A N 4.141 126.949 122.820 -0.021 0.000 2.167 77 A HA 0.574 4.888 4.320 -0.009 0.000 0.214 77 A C 1.149 178.664 177.584 -0.116 0.000 1.151 77 A CA 1.013 53.032 52.037 -0.029 0.000 0.735 77 A CB -0.104 18.916 19.000 0.034 0.000 0.802 77 A HN 1.229 nan 8.150 nan 0.000 0.467 78 G N -0.769 107.874 108.800 -0.262 0.000 2.323 78 G HA2 0.437 4.391 3.960 -0.009 0.000 0.291 78 G HA3 0.437 4.391 3.960 -0.009 0.000 0.291 78 G C -1.657 173.025 174.900 -0.362 0.000 1.278 78 G CA -0.148 44.820 45.100 -0.221 0.000 0.860 78 G HN 0.615 nan 8.290 nan 0.000 0.504 79 K N -0.861 119.370 120.400 -0.282 0.000 2.508 79 K HA 0.784 5.098 4.320 -0.009 0.000 0.260 79 K C -1.530 174.798 176.600 -0.454 0.000 0.949 79 K CA -0.663 55.342 56.287 -0.470 0.000 0.834 79 K CB 1.689 33.801 32.500 -0.646 0.000 1.365 79 K HN 1.226 nan 8.250 nan 0.000 0.437 80 S N 2.932 118.317 115.700 -0.525 0.000 2.519 80 S HA 0.701 5.165 4.470 -0.009 0.000 0.309 80 S C -1.118 173.263 174.600 -0.365 0.000 1.100 80 S CA -0.638 57.351 58.200 -0.351 0.000 1.059 80 S CB 0.056 63.133 63.200 -0.206 0.000 1.008 80 S HN 0.485 nan 8.310 nan 0.000 0.478 81 F N 2.009 121.928 119.950 -0.051 0.000 2.697 81 F HA 0.646 5.167 4.527 -0.010 0.000 0.386 81 F C 1.754 177.542 175.800 -0.019 0.000 1.154 81 F CA -1.032 56.948 58.000 -0.035 0.000 1.108 81 F CB 0.528 39.511 39.000 -0.029 0.000 1.429 81 F HN 0.703 nan 8.300 nan 0.000 0.509 82 A N 0.706 123.673 122.820 0.245 0.000 1.885 82 A HA -0.124 4.190 4.320 -0.009 0.000 0.215 82 A C 1.766 179.413 177.584 0.105 0.000 1.255 82 A CA 1.960 54.080 52.037 0.139 0.000 0.692 82 A CB -1.615 17.433 19.000 0.080 0.000 0.842 82 A HN 0.882 nan 8.150 nan 0.000 0.465 83 G N -0.358 108.490 108.800 0.080 0.000 3.882 83 G HA2 0.458 4.412 3.960 -0.009 0.000 0.283 83 G HA3 0.458 4.412 3.960 -0.009 0.000 0.283 83 G C -0.017 174.901 174.900 0.029 0.000 1.283 83 G CA 0.443 45.569 45.100 0.043 0.000 1.402 83 G HN 0.819 nan 8.290 nan 0.000 0.618 84 Q N -0.253 119.554 119.800 0.011 0.000 3.429 84 Q HA 0.174 4.508 4.340 -0.009 0.000 0.190 84 Q C -3.187 172.716 176.000 -0.160 0.000 0.807 84 Q CA -1.526 54.254 55.803 -0.039 0.000 0.854 84 Q CB 1.352 30.114 28.738 0.041 0.000 1.481 84 Q HN 0.127 nan 8.270 nan 0.000 0.463 85 P HA -0.105 nan 4.420 nan 0.000 0.271 85 P C -0.779 176.214 177.300 -0.511 0.000 1.238 85 P CA -0.062 62.827 63.100 -0.350 0.000 0.794 85 P CB 0.474 31.960 31.700 -0.358 0.000 0.959 86 Y N 1.301 121.327 120.300 -0.457 0.000 2.359 86 Y HA 0.192 4.739 4.550 -0.005 0.000 0.334 86 Y C 0.225 175.899 175.900 -0.375 0.000 1.058 86 Y CA 0.155 58.011 58.100 -0.407 0.000 1.244 86 Y CB -0.031 38.221 38.460 -0.347 0.000 1.187 86 Y HN 0.305 nan 8.280 nan 0.000 0.510 87 H N 3.798 122.372 119.070 -0.826 0.000 2.529 87 H HA 0.674 5.228 4.556 -0.004 0.000 0.348 87 H C 0.362 175.149 175.328 -0.902 0.000 1.152 87 H CA -0.230 55.439 56.048 -0.631 0.000 1.202 87 H CB 1.538 31.103 29.762 -0.329 0.000 1.562 87 H HN 0.991 nan 8.280 nan 0.000 0.515 88 G N 1.798 110.403 108.800 -0.326 0.000 2.619 88 G HA2 -0.132 3.822 3.960 -0.009 0.000 0.686 88 G HA3 -0.132 3.822 3.960 -0.009 0.000 0.686 88 G C -0.920 173.979 174.900 -0.002 0.000 1.256 88 G CA -1.008 43.977 45.100 -0.191 0.000 0.826 88 G HN 0.543 nan 8.290 nan 0.000 0.619 89 E N -0.732 119.543 120.200 0.124 0.000 2.436 89 E HA 0.352 4.697 4.350 -0.009 0.000 0.262 89 E C -0.019 176.843 176.600 0.437 0.000 1.063 89 E CA 0.026 56.568 56.400 0.236 0.000 0.944 89 E CB 0.573 30.368 29.700 0.159 0.000 0.950 89 E HN 0.641 nan 8.360 nan 0.000 0.444 90 W N 4.807 126.214 121.300 0.177 0.000 2.406 90 W HA 0.343 4.995 4.660 -0.013 0.000 0.308 90 W C -2.484 174.065 176.519 0.051 0.000 0.965 90 W CA -3.257 54.159 57.345 0.117 0.000 1.589 90 W CB -0.025 29.484 29.460 0.082 0.000 1.417 90 W HN 0.434 nan 8.180 nan 0.000 0.415 91 P HA 0.101 nan 4.420 nan 0.000 0.267 91 P C -0.027 177.244 177.300 -0.049 0.000 1.201 91 P CA 0.205 63.363 63.100 0.096 0.000 0.775 91 P CB 0.640 32.407 31.700 0.112 0.000 0.854 92 A N 1.610 124.372 122.820 -0.097 0.000 2.466 92 A HA 0.434 4.748 4.320 -0.009 0.000 0.238 92 A C 1.448 178.967 177.584 -0.108 0.000 1.074 92 A CA 0.452 52.389 52.037 -0.166 0.000 0.774 92 A CB -1.153 17.776 19.000 -0.118 0.000 1.015 92 A HN 0.958 nan 8.150 nan 0.000 0.498 93 G N 0.408 109.129 108.800 -0.132 0.000 2.179 93 G HA2 -0.065 3.890 3.960 -0.009 0.000 0.257 93 G HA3 -0.065 3.890 3.960 -0.009 0.000 0.257 93 G C 0.382 175.282 174.900 0.000 0.000 1.010 93 G CA 1.378 46.440 45.100 -0.064 0.000 0.736 93 G HN 2.404 nan 8.290 nan 0.000 0.513 94 T N -3.085 111.492 114.554 0.039 0.000 2.901 94 T HA 0.732 5.076 4.350 -0.009 0.000 0.293 94 T C 0.237 175.197 174.700 0.434 0.000 1.084 94 T CA -0.228 61.991 62.100 0.198 0.000 1.008 94 T CB 2.541 71.556 68.868 0.245 0.000 1.170 94 T HN 1.653 nan 8.240 nan 0.000 0.509 95 C N 1.146 120.661 119.300 0.358 0.000 2.779 95 C HA 0.873 5.328 4.460 -0.009 0.000 0.314 95 C C -0.629 174.385 174.990 0.039 0.000 1.231 95 C CA -1.109 58.124 59.018 0.359 0.000 1.652 95 C CB 0.386 28.316 27.740 0.316 0.000 2.198 95 C HN 0.896 nan 8.230 nan 0.000 0.483 96 I N 2.708 123.131 120.570 -0.245 0.000 2.339 96 I HA 0.396 4.560 4.170 -0.009 0.000 0.290 96 I C 0.416 176.400 176.117 -0.221 0.000 0.994 96 I CA -0.087 60.904 61.300 -0.515 0.000 1.191 96 I CB 1.265 38.644 38.000 -1.035 0.000 1.343 96 I HN 0.875 nan 8.210 nan 0.000 0.458 97 R N 6.328 126.722 120.500 -0.176 0.000 2.570 97 R HA 0.417 4.752 4.340 -0.009 0.000 0.277 97 R C -1.152 174.935 176.300 -0.354 0.000 1.039 97 R CA 0.593 56.550 56.100 -0.237 0.000 1.065 97 R CB 0.307 30.503 30.300 -0.173 0.000 0.964 97 R HN 0.703 nan 8.270 nan 0.000 0.428 98 I N 4.327 124.692 120.570 -0.342 0.000 2.894 98 I HA 0.364 4.529 4.170 -0.009 0.000 0.302 98 I C -1.161 174.886 176.117 -0.116 0.000 1.188 98 I CA -0.996 60.165 61.300 -0.232 0.000 1.014 98 I CB 1.769 39.662 38.000 -0.178 0.000 1.242 98 I HN 0.553 nan 8.210 nan 0.000 0.430 99 M N 3.306 122.912 119.600 0.009 0.000 2.664 99 M HA 0.375 4.850 4.480 -0.009 0.000 0.314 99 M C -0.176 176.156 176.300 0.053 0.000 1.200 99 M CA -0.693 54.650 55.300 0.071 0.000 0.916 99 M CB 1.528 34.250 32.600 0.203 0.000 1.717 99 M HN 0.483 nan 8.290 nan 0.000 0.470 100 T N 1.822 116.398 114.554 0.037 0.000 2.933 100 T HA 0.244 4.589 4.350 -0.009 0.000 0.306 100 T C 1.227 175.958 174.700 0.051 0.000 1.045 100 T CA 1.799 63.917 62.100 0.031 0.000 1.143 100 T CB 0.137 69.016 68.868 0.018 0.000 1.003 100 T HN 0.981 nan 8.240 nan 0.000 0.540 101 G N 1.939 110.767 108.800 0.047 0.000 2.267 101 G HA2 -0.174 3.781 3.960 -0.009 0.000 0.257 101 G HA3 -0.174 3.781 3.960 -0.009 0.000 0.257 101 G C 0.370 175.368 174.900 0.162 0.000 0.998 101 G CA 0.119 45.261 45.100 0.069 0.000 0.620 101 G HN 1.252 nan 8.290 nan 0.000 0.529 102 A N 1.975 124.883 122.820 0.146 0.000 2.407 102 A HA 0.626 4.941 4.320 -0.009 0.000 0.248 102 A C -1.391 176.315 177.584 0.203 0.000 1.082 102 A CA -0.403 51.731 52.037 0.162 0.000 0.785 102 A CB 0.311 19.365 19.000 0.091 0.000 1.020 102 A HN 0.294 nan 8.150 nan 0.000 0.489 103 P HA 0.208 nan 4.420 nan 0.000 0.271 103 P C -0.013 177.331 177.300 0.073 0.000 1.216 103 P CA 0.036 63.265 63.100 0.216 0.000 0.771 103 P CB 0.665 32.286 31.700 -0.131 0.000 0.864 104 V N 1.767 121.742 119.914 0.102 0.000 2.555 104 V HA 0.330 4.444 4.120 -0.009 0.000 0.286 104 V C -2.042 174.065 176.094 0.022 0.000 1.044 104 V CA -2.101 60.220 62.300 0.034 0.000 1.026 104 V CB -0.095 31.767 31.823 0.064 0.000 0.981 104 V HN 0.441 nan 8.190 nan 0.000 0.480 105 P HA 0.167 nan 4.420 nan 0.000 0.269 105 P C -0.489 176.900 177.300 0.149 0.000 1.209 105 P CA -0.139 62.955 63.100 -0.010 0.000 0.776 105 P CB 0.376 31.915 31.700 -0.269 0.000 0.876 106 E N 1.137 121.451 120.200 0.190 0.000 2.652 106 E HA 0.272 4.616 4.350 -0.009 0.000 0.255 106 E C 1.541 178.324 176.600 0.306 0.000 0.952 106 E CA 1.032 57.557 56.400 0.208 0.000 0.947 106 E CB -1.032 28.772 29.700 0.174 0.000 0.912 106 E HN 0.806 nan 8.360 nan 0.000 0.489 107 G N 1.898 110.829 108.800 0.220 0.000 2.234 107 G HA2 -0.350 3.604 3.960 -0.009 0.000 0.235 107 G HA3 -0.350 3.604 3.960 -0.009 0.000 0.235 107 G C 0.553 175.581 174.900 0.213 0.000 0.997 107 G CA -0.286 44.916 45.100 0.169 0.000 0.623 107 G HN 0.906 nan 8.290 nan 0.000 0.514 108 C N 1.621 121.164 119.300 0.404 0.000 2.538 108 C HA 0.494 4.948 4.460 -0.009 0.000 0.408 108 C C 1.660 176.758 174.990 0.181 0.000 1.421 108 C CA 1.251 60.505 59.018 0.394 0.000 1.642 108 C CB -0.078 27.830 27.740 0.280 0.000 2.553 108 C HN 0.585 nan 8.230 nan 0.000 0.604 109 E N 2.940 123.220 120.200 0.133 0.000 2.514 109 E HA 0.391 4.735 4.350 -0.009 0.000 0.215 109 E C 0.184 176.819 176.600 0.059 0.000 0.946 109 E CA 0.355 56.794 56.400 0.065 0.000 1.038 109 E CB 0.686 30.396 29.700 0.018 0.000 1.069 109 E HN 0.825 nan 8.360 nan 0.000 0.503 110 A N 0.506 123.375 122.820 0.082 0.000 2.597 110 A HA 0.536 4.850 4.320 -0.009 0.000 0.292 110 A C -1.560 176.076 177.584 0.087 0.000 1.057 110 A CA -0.563 51.514 52.037 0.066 0.000 0.674 110 A CB 1.452 20.477 19.000 0.040 0.000 1.278 110 A HN -0.031 nan 8.150 nan 0.000 0.416 111 V N 0.862 120.823 119.914 0.079 0.000 2.604 111 V HA 0.629 4.743 4.120 -0.009 0.000 0.305 111 V C -0.593 175.573 176.094 0.119 0.000 1.043 111 V CA -0.531 61.825 62.300 0.094 0.000 0.888 111 V CB 1.833 33.691 31.823 0.057 0.000 0.995 111 V HN 0.831 nan 8.190 nan 0.000 0.429 112 V N 5.498 125.529 119.914 0.195 0.000 2.448 112 V HA 0.447 4.562 4.120 -0.009 0.000 0.295 112 V C 0.128 176.347 176.094 0.209 0.000 1.025 112 V CA -0.689 61.754 62.300 0.238 0.000 0.859 112 V CB 1.608 33.684 31.823 0.422 0.000 0.988 112 V HN 0.923 nan 8.190 nan 0.000 0.431 113 M N 3.669 123.348 119.600 0.131 0.000 2.239 113 M HA 0.187 4.661 4.480 -0.009 0.000 0.348 113 M C 1.509 177.875 176.300 0.110 0.000 1.239 113 M CA 0.055 55.404 55.300 0.082 0.000 1.114 113 M CB 0.038 32.670 32.600 0.054 0.000 1.641 113 M HN 0.796 nan 8.290 nan 0.000 0.453 114 Q N 1.573 121.418 119.800 0.075 0.000 2.173 114 Q HA -0.243 4.091 4.340 -0.009 0.000 0.208 114 Q C 0.817 176.864 176.000 0.077 0.000 0.989 114 Q CA 2.242 58.117 55.803 0.120 0.000 0.872 114 Q CB -0.601 28.166 28.738 0.049 0.000 0.909 114 Q HN 0.808 nan 8.270 nan 0.000 0.420 115 E N 1.126 121.354 120.200 0.048 0.000 2.265 115 E HA -0.150 4.194 4.350 -0.009 0.000 0.196 115 E C 1.579 178.194 176.600 0.026 0.000 0.996 115 E CA 1.154 57.572 56.400 0.030 0.000 0.832 115 E CB -0.036 29.678 29.700 0.025 0.000 0.756 115 E HN 0.496 nan 8.360 nan 0.000 0.491 116 Q N 0.099 119.923 119.800 0.041 0.000 2.360 116 Q HA 0.059 4.394 4.340 -0.009 0.000 0.202 116 Q C 0.089 176.085 176.000 -0.005 0.000 0.915 116 Q CA 0.539 56.364 55.803 0.036 0.000 0.943 116 Q CB 0.573 29.355 28.738 0.074 0.000 1.064 116 Q HN 0.288 nan 8.270 nan 0.000 0.511 117 T N -2.761 111.765 114.554 -0.046 0.000 2.932 117 T HA 0.434 4.778 4.350 -0.009 0.000 0.289 117 T C -0.481 174.120 174.700 -0.164 0.000 1.039 117 T CA -0.872 61.108 62.100 -0.200 0.000 1.024 117 T CB 2.133 70.773 68.868 -0.378 0.000 1.090 117 T HN -0.235 nan 8.240 nan 0.000 0.496 118 E N 1.447 121.507 120.200 -0.233 0.000 2.070 118 E HA 0.308 4.652 4.350 -0.009 0.000 0.261 118 E C -0.829 175.656 176.600 -0.191 0.000 0.926 118 E CA -0.375 55.931 56.400 -0.157 0.000 0.760 118 E CB 0.786 30.414 29.700 -0.120 0.000 1.133 118 E HN 0.575 nan 8.360 nan 0.000 0.420 119 Q N 3.455 123.174 119.800 -0.135 0.000 2.325 119 Q HA 0.249 4.584 4.340 -0.009 0.000 0.256 119 Q C -0.241 175.713 176.000 -0.078 0.000 1.142 119 Q CA 0.597 56.330 55.803 -0.117 0.000 0.902 119 Q CB 0.468 29.195 28.738 -0.018 0.000 1.350 119 Q HN 0.499 nan 8.270 nan 0.000 0.449 120 M N 0.501 120.046 119.600 -0.090 0.000 2.706 120 M HA 0.295 4.769 4.480 -0.009 0.000 0.304 120 M C 0.502 176.780 176.300 -0.035 0.000 1.217 120 M CA -0.865 54.403 55.300 -0.054 0.000 0.922 120 M CB 1.142 33.709 32.600 -0.055 0.000 1.637 120 M HN 0.419 nan 8.290 nan 0.000 0.492 121 D N 0.587 120.976 120.400 -0.020 0.000 2.144 121 D HA -0.102 4.532 4.640 -0.009 0.000 0.199 121 D C 0.549 176.846 176.300 -0.006 0.000 0.984 121 D CA 1.457 55.453 54.000 -0.008 0.000 0.834 121 D CB -0.101 40.697 40.800 -0.003 0.000 0.955 121 D HN 0.477 nan 8.370 nan 0.000 0.465 122 N N 0.130 118.824 118.700 -0.010 0.000 2.279 122 N HA 0.291 5.025 4.740 -0.009 0.000 0.226 122 N C 0.568 176.073 175.510 -0.008 0.000 1.126 122 N CA 0.161 53.209 53.050 -0.004 0.000 0.846 122 N CB 1.604 40.090 38.487 -0.001 0.000 1.050 122 N HN 0.140 nan 8.380 nan 0.000 0.502 123 G N -1.005 107.780 108.800 -0.025 0.000 2.339 123 G HA2 -0.030 3.924 3.960 -0.009 0.000 0.381 123 G HA3 -0.030 3.924 3.960 -0.009 0.000 0.381 123 G C -1.595 173.238 174.900 -0.112 0.000 1.400 123 G CA -0.913 44.163 45.100 -0.039 0.000 1.002 123 G HN -0.071 nan 8.290 nan 0.000 0.633 124 V N 0.872 120.675 119.914 -0.186 0.000 2.407 124 V HA 0.603 4.718 4.120 -0.009 0.000 0.278 124 V C 0.914 176.775 176.094 -0.389 0.000 1.037 124 V CA -0.466 61.567 62.300 -0.446 0.000 0.900 124 V CB 1.347 32.598 31.823 -0.953 0.000 0.983 124 V HN 0.863 nan 8.190 nan 0.000 0.459 125 R N 4.352 124.633 120.500 -0.365 0.000 2.234 125 R HA 0.452 4.786 4.340 -0.009 0.000 0.324 125 R C -1.465 174.637 176.300 -0.331 0.000 1.054 125 R CA -0.262 55.720 56.100 -0.197 0.000 0.912 125 R CB 0.441 30.674 30.300 -0.112 0.000 1.030 125 R HN 0.495 nan 8.270 nan 0.000 0.455 126 F N 2.774 122.692 119.950 -0.052 0.000 2.436 126 F HA 0.297 4.818 4.527 -0.009 0.000 0.340 126 F C 1.166 176.957 175.800 -0.015 0.000 1.113 126 F CA -0.480 57.502 58.000 -0.030 0.000 1.022 126 F CB 2.393 41.379 39.000 -0.023 0.000 1.128 126 F HN 0.676 nan 8.300 nan 0.000 0.466 127 T N -1.134 113.499 114.554 0.131 0.000 2.964 127 T HA 0.466 4.811 4.350 -0.009 0.000 0.250 127 T C 0.727 175.474 174.700 0.077 0.000 0.982 127 T CA 0.171 62.319 62.100 0.080 0.000 0.959 127 T CB -0.056 68.834 68.868 0.036 0.000 1.141 127 T HN 0.528 nan 8.240 nan 0.000 0.494 128 A N 2.520 125.395 122.820 0.092 0.000 2.407 128 A HA 0.532 4.847 4.320 -0.009 0.000 0.248 128 A C 0.397 178.026 177.584 0.075 0.000 1.082 128 A CA -0.556 51.526 52.037 0.075 0.000 0.785 128 A CB 0.008 19.054 19.000 0.078 0.000 1.020 128 A HN 0.664 nan 8.150 nan 0.000 0.489 129 E N 0.794 121.024 120.200 0.050 0.000 2.415 129 E HA 0.328 4.673 4.350 -0.009 0.000 0.262 129 E C -0.962 175.663 176.600 0.042 0.000 1.038 129 E CA -0.197 56.226 56.400 0.037 0.000 0.921 129 E CB 0.574 30.289 29.700 0.025 0.000 0.950 129 E HN 0.251 nan 8.360 nan 0.000 0.438 130 V N 4.212 124.142 119.914 0.026 0.000 2.444 130 V HA 0.377 4.492 4.120 -0.009 0.000 0.294 130 V C -0.034 176.066 176.094 0.011 0.000 1.022 130 V CA -0.747 61.566 62.300 0.023 0.000 0.850 130 V CB 1.365 33.190 31.823 0.003 0.000 0.992 130 V HN 0.675 nan 8.190 nan 0.000 0.426 131 R N 2.164 122.674 120.500 0.017 0.000 2.368 131 R HA 0.482 4.816 4.340 -0.009 0.000 0.302 131 R C 0.268 176.575 176.300 0.012 0.000 1.002 131 R CA -0.376 55.731 56.100 0.012 0.000 0.929 131 R CB 1.682 31.991 30.300 0.015 0.000 1.073 131 R HN 0.710 nan 8.270 nan 0.000 0.464 132 S N 0.922 116.626 115.700 0.006 0.000 2.552 132 S HA 0.161 4.626 4.470 -0.009 0.000 0.289 132 S C 1.327 175.935 174.600 0.015 0.000 1.304 132 S CA 1.394 59.599 58.200 0.008 0.000 1.063 132 S CB 0.307 63.508 63.200 0.003 0.000 0.848 132 S HN 0.856 nan 8.310 nan 0.000 0.499 133 G N 3.076 111.890 108.800 0.022 0.000 2.234 133 G HA2 -0.312 3.642 3.960 -0.009 0.000 0.260 133 G HA3 -0.312 3.642 3.960 -0.009 0.000 0.260 133 G C 0.088 175.003 174.900 0.026 0.000 0.987 133 G CA 0.534 45.649 45.100 0.024 0.000 0.625 133 G HN 1.172 nan 8.290 nan 0.000 0.532 134 Q N 0.360 120.176 119.800 0.027 0.000 2.283 134 Q HA 0.340 4.674 4.340 -0.009 0.000 0.301 134 Q C 0.823 176.845 176.000 0.036 0.000 1.063 134 Q CA 0.660 56.481 55.803 0.030 0.000 0.952 134 Q CB 0.203 28.962 28.738 0.035 0.000 1.166 134 Q HN 0.360 nan 8.270 nan 0.000 0.381 135 N N 1.286 120.004 118.700 0.030 0.000 2.741 135 N HA -0.180 4.555 4.740 -0.009 0.000 0.251 135 N C -1.185 174.340 175.510 0.025 0.000 1.112 135 N CA 1.252 54.319 53.050 0.028 0.000 0.750 135 N CB -1.215 37.295 38.487 0.039 0.000 1.119 135 N HN 0.682 nan 8.380 nan 0.000 0.561 136 I N 1.075 121.659 120.570 0.024 0.000 2.355 136 I HA 0.204 4.368 4.170 -0.009 0.000 0.288 136 I C 0.509 176.631 176.117 0.008 0.000 0.999 136 I CA -0.579 60.735 61.300 0.023 0.000 1.163 136 I CB 1.214 39.234 38.000 0.034 0.000 1.316 136 I HN -0.227 nan 8.210 nan 0.000 0.454 137 R N 6.468 126.964 120.500 -0.006 0.000 2.216 137 R HA 0.302 4.636 4.340 -0.009 0.000 0.332 137 R C -0.368 175.909 176.300 -0.037 0.000 1.056 137 R CA -0.533 55.549 56.100 -0.030 0.000 0.901 137 R CB 0.568 30.836 30.300 -0.054 0.000 1.039 137 R HN 0.468 nan 8.270 nan 0.000 0.456 138 R N 2.714 123.197 120.500 -0.028 0.000 2.441 138 R HA 0.140 4.474 4.340 -0.009 0.000 0.284 138 R C 0.243 176.515 176.300 -0.046 0.000 1.070 138 R CA -0.749 55.338 56.100 -0.021 0.000 1.047 138 R CB 0.666 30.962 30.300 -0.007 0.000 1.016 138 R HN 0.473 nan 8.270 nan 0.000 0.477 139 R N 0.948 121.428 120.500 -0.034 0.000 2.500 139 R HA -0.123 4.211 4.340 -0.009 0.000 0.281 139 R C 0.670 176.945 176.300 -0.041 0.000 0.953 139 R CA 1.670 57.743 56.100 -0.045 0.000 1.108 139 R CB -0.033 30.272 30.300 0.008 0.000 0.901 139 R HN 0.967 nan 8.270 nan 0.000 0.410 140 G N 3.265 112.030 108.800 -0.058 0.000 2.166 140 G HA2 -0.380 3.575 3.960 -0.009 0.000 0.260 140 G HA3 -0.380 3.575 3.960 -0.009 0.000 0.260 140 G C 0.658 175.530 174.900 -0.047 0.000 0.986 140 G CA 0.900 45.971 45.100 -0.048 0.000 0.683 140 G HN 0.898 nan 8.290 nan 0.000 0.527 141 E N -0.526 119.644 120.200 -0.051 0.000 2.204 141 E HA -0.074 4.270 4.350 -0.009 0.000 0.194 141 E C 1.399 177.971 176.600 -0.046 0.000 0.989 141 E CA 1.150 57.525 56.400 -0.042 0.000 0.824 141 E CB -0.098 29.578 29.700 -0.039 0.000 0.756 141 E HN 0.440 nan 8.360 nan 0.000 0.477 142 D N 0.670 121.036 120.400 -0.057 0.000 2.201 142 D HA 0.178 4.813 4.640 -0.009 0.000 0.209 142 D C 0.678 176.938 176.300 -0.066 0.000 0.961 142 D CA 0.739 54.704 54.000 -0.058 0.000 0.861 142 D CB 0.740 41.503 40.800 -0.061 0.000 0.997 142 D HN 0.207 nan 8.370 nan 0.000 0.486 143 I N 0.639 121.168 120.570 -0.068 0.000 2.586 143 I HA 0.080 4.245 4.170 -0.009 0.000 0.288 143 I C -0.775 175.307 176.117 -0.058 0.000 1.147 143 I CA -0.579 60.677 61.300 -0.074 0.000 1.047 143 I CB 2.318 40.266 38.000 -0.088 0.000 1.244 143 I HN -0.205 nan 8.210 nan 0.000 0.429 144 S N 4.327 119.996 115.700 -0.051 0.000 2.525 144 S HA 0.810 5.275 4.470 -0.009 0.000 0.290 144 S C 0.115 174.695 174.600 -0.034 0.000 1.152 144 S CA -0.814 57.364 58.200 -0.037 0.000 1.072 144 S CB 1.912 65.094 63.200 -0.030 0.000 1.027 144 S HN 0.749 nan 8.310 nan 0.000 0.500 145 A N 1.721 124.527 122.820 -0.023 0.000 2.565 145 A HA 0.493 4.807 4.320 -0.009 0.000 0.237 145 A C 1.558 179.132 177.584 -0.018 0.000 1.053 145 A CA 0.307 52.334 52.037 -0.017 0.000 0.755 145 A CB -1.316 17.680 19.000 -0.007 0.000 0.980 145 A HN 2.476 nan 8.150 nan 0.000 0.506 146 G N 0.418 109.207 108.800 -0.018 0.000 2.199 146 G HA2 0.155 4.109 3.960 -0.009 0.000 0.254 146 G HA3 0.155 4.109 3.960 -0.009 0.000 0.254 146 G C 0.559 175.445 174.900 -0.024 0.000 0.982 146 G CA 0.552 45.642 45.100 -0.016 0.000 0.632 146 G HN 2.223 nan 8.290 nan 0.000 0.529 147 A N -0.078 122.720 122.820 -0.035 0.000 2.302 147 A HA 0.742 5.056 4.320 -0.009 0.000 0.285 147 A C 0.558 178.106 177.584 -0.060 0.000 1.105 147 A CA 0.094 52.102 52.037 -0.047 0.000 0.816 147 A CB 1.236 20.201 19.000 -0.059 0.000 1.067 147 A HN 1.103 nan 8.150 nan 0.000 0.489 148 V N 3.150 123.027 119.914 -0.061 0.000 2.470 148 V HA 0.079 4.194 4.120 -0.009 0.000 0.276 148 V C 1.159 177.170 176.094 -0.139 0.000 1.040 148 V CA 0.123 62.382 62.300 -0.068 0.000 1.008 148 V CB 0.962 32.762 31.823 -0.039 0.000 0.990 148 V HN 0.722 nan 8.190 nan 0.000 0.477 149 V N 5.135 124.924 119.914 -0.209 0.000 2.500 149 V HA 0.184 4.299 4.120 -0.009 0.000 0.243 149 V C 0.283 175.922 176.094 -0.758 0.000 1.039 149 V CA 1.160 63.161 62.300 -0.497 0.000 1.053 149 V CB -0.212 31.278 31.823 -0.555 0.000 0.695 149 V HN 0.685 nan 8.190 nan 0.000 0.463 150 F N 1.350 121.291 119.950 -0.014 0.000 2.562 150 F HA 0.520 5.041 4.527 -0.009 0.000 0.319 150 F C -2.703 173.088 175.800 -0.016 0.000 1.154 150 F CA -2.349 55.641 58.000 -0.018 0.000 0.931 150 F CB 2.253 41.240 39.000 -0.022 0.000 1.198 150 F HN -0.101 nan 8.300 nan 0.000 0.444 151 P HA 0.239 nan 4.420 nan 0.000 0.277 151 P C -0.647 176.695 177.300 0.070 0.000 1.240 151 P CA -0.313 62.834 63.100 0.078 0.000 0.798 151 P CB 1.159 32.890 31.700 0.051 0.000 0.979 152 A N 1.405 124.251 122.820 0.044 0.000 2.565 152 A HA 0.393 4.707 4.320 -0.009 0.000 0.237 152 A C 1.457 179.051 177.584 0.018 0.000 1.053 152 A CA 1.046 53.100 52.037 0.028 0.000 0.755 152 A CB -1.548 17.465 19.000 0.021 0.000 0.980 152 A HN 0.900 nan 8.150 nan 0.000 0.506 153 G N 1.482 110.285 108.800 0.005 0.000 2.218 153 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.216 153 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.216 153 G C 0.430 175.318 174.900 -0.020 0.000 0.994 153 G CA 0.248 45.345 45.100 -0.006 0.000 0.637 153 G HN 1.190 nan 8.290 nan 0.000 0.505 154 T N 1.664 116.208 114.554 -0.018 0.000 2.834 154 T HA 0.429 4.774 4.350 -0.009 0.000 0.298 154 T C 0.587 175.223 174.700 -0.107 0.000 0.966 154 T CA 0.034 62.104 62.100 -0.050 0.000 1.141 154 T CB 1.272 70.117 68.868 -0.038 0.000 0.905 154 T HN 0.530 nan 8.240 nan 0.000 0.535 155 R N 3.658 124.081 120.500 -0.128 0.000 2.316 155 R HA 0.286 4.621 4.340 -0.009 0.000 0.314 155 R C -0.534 175.607 176.300 -0.266 0.000 1.069 155 R CA -0.455 55.542 56.100 -0.171 0.000 0.959 155 R CB 0.093 30.302 30.300 -0.152 0.000 0.987 155 R HN 0.575 nan 8.270 nan 0.000 0.446 156 L N 4.046 125.086 121.223 -0.305 0.000 2.319 156 L HA 0.314 4.649 4.340 -0.009 0.000 0.280 156 L C 0.542 177.060 176.870 -0.588 0.000 1.099 156 L CA -0.038 54.570 54.840 -0.387 0.000 0.828 156 L CB 1.554 43.438 42.059 -0.290 0.000 1.150 156 L HN 0.736 nan 8.230 nan 0.000 0.442 157 T N -0.217 114.014 114.554 -0.538 0.000 2.742 157 T HA 0.191 4.535 4.350 -0.009 0.000 0.282 157 T C 1.021 175.592 174.700 -0.215 0.000 1.025 157 T CA -0.392 61.325 62.100 -0.639 0.000 1.020 157 T CB 1.779 70.401 68.868 -0.409 0.000 1.317 157 T HN 0.629 nan 8.240 nan 0.000 0.538 158 T N 1.374 115.972 114.554 0.073 0.000 2.977 158 T HA 0.020 4.364 4.350 -0.009 0.000 0.271 158 T C 1.873 176.590 174.700 0.028 0.000 1.105 158 T CA 1.038 63.209 62.100 0.119 0.000 1.116 158 T CB -0.290 68.684 68.868 0.176 0.000 0.878 158 T HN 0.572 nan 8.240 nan 0.000 0.509 159 A N 1.430 124.236 122.820 -0.023 0.000 1.930 159 A HA 0.025 4.339 4.320 -0.009 0.000 0.215 159 A C 2.173 179.727 177.584 -0.049 0.000 1.176 159 A CA 1.026 53.053 52.037 -0.018 0.000 0.632 159 A CB -0.141 18.846 19.000 -0.022 0.000 0.819 159 A HN 0.394 nan 8.150 nan 0.000 0.445 160 E N -0.286 119.789 120.200 -0.209 0.000 2.162 160 E HA 0.181 4.526 4.350 -0.009 0.000 0.193 160 E C 1.840 178.288 176.600 -0.255 0.000 0.953 160 E CA 0.213 56.337 56.400 -0.460 0.000 0.849 160 E CB -0.275 28.798 29.700 -1.045 0.000 0.810 160 E HN 0.490 nan 8.360 nan 0.000 0.470 161 L N 1.086 122.205 121.223 -0.173 0.000 2.012 161 L HA -0.134 4.200 4.340 -0.009 0.000 0.210 161 L C -0.700 176.181 176.870 0.017 0.000 1.073 161 L CA 1.504 56.303 54.840 -0.067 0.000 0.748 161 L CB -1.194 40.842 42.059 -0.038 0.000 0.891 161 L HN 0.157 nan 8.230 nan 0.000 0.431 162 P HA -0.128 nan 4.420 nan 0.000 0.218 162 P C 1.869 179.218 177.300 0.081 0.000 1.148 162 P CA 1.023 64.156 63.100 0.054 0.000 0.822 162 P CB 0.070 31.800 31.700 0.051 0.000 0.784 163 V N -0.482 119.508 119.914 0.126 0.000 2.407 163 V HA -0.220 3.895 4.120 -0.009 0.000 0.248 163 V C 2.288 178.486 176.094 0.173 0.000 1.055 163 V CA 1.567 63.971 62.300 0.173 0.000 1.049 163 V CB -0.986 31.027 31.823 0.317 0.000 0.662 163 V HN 0.070 nan 8.190 nan 0.000 0.455 164 I N 0.383 121.079 120.570 0.210 0.000 2.315 164 I HA -0.216 3.949 4.170 -0.009 0.000 0.248 164 I C 2.629 178.801 176.117 0.091 0.000 1.117 164 I CA 1.373 62.772 61.300 0.166 0.000 1.404 164 I CB -0.523 37.565 38.000 0.147 0.000 1.071 164 I HN 0.281 nan 8.210 nan 0.000 0.419 165 A N 0.606 123.470 122.820 0.073 0.000 1.933 165 A HA -0.238 4.076 4.320 -0.009 0.000 0.218 165 A C 2.475 180.088 177.584 0.049 0.000 1.175 165 A CA 2.087 54.156 52.037 0.053 0.000 0.628 165 A CB -0.874 18.153 19.000 0.046 0.000 0.814 165 A HN 0.519 nan 8.150 nan 0.000 0.444 166 S N -0.278 115.454 115.700 0.053 0.000 2.469 166 S HA -0.026 4.439 4.470 -0.009 0.000 0.238 166 S C 1.460 176.082 174.600 0.036 0.000 0.998 166 S CA 1.320 59.545 58.200 0.043 0.000 0.957 166 S CB -0.548 62.676 63.200 0.041 0.000 0.764 166 S HN 0.453 nan 8.310 nan 0.000 0.514 167 L N 0.771 122.018 121.223 0.039 0.000 2.592 167 L HA 0.343 4.678 4.340 -0.009 0.000 0.227 167 L C 1.810 178.698 176.870 0.030 0.000 1.127 167 L CA 0.286 55.143 54.840 0.029 0.000 0.884 167 L CB -0.548 41.527 42.059 0.027 0.000 1.065 167 L HN 0.577 nan 8.230 nan 0.000 0.457 168 G N 0.977 109.798 108.800 0.034 0.000 2.148 168 G HA2 -0.288 3.666 3.960 -0.009 0.000 0.254 168 G HA3 -0.288 3.666 3.960 -0.009 0.000 0.254 168 G C 0.197 175.115 174.900 0.030 0.000 0.981 168 G CA -0.166 44.952 45.100 0.031 0.000 0.670 168 G HN 0.309 nan 8.290 nan 0.000 0.528 169 I N 0.888 121.479 120.570 0.035 0.000 2.325 169 I HA 0.480 4.644 4.170 -0.009 0.000 0.291 169 I C 1.531 177.669 176.117 0.034 0.000 1.019 169 I CA 0.085 61.406 61.300 0.035 0.000 1.302 169 I CB 1.502 39.528 38.000 0.043 0.000 1.401 169 I HN 0.127 nan 8.210 nan 0.000 0.485 170 A N 5.973 128.810 122.820 0.028 0.000 1.984 170 A HA 0.080 4.394 4.320 -0.009 0.000 0.214 170 A C 0.608 178.207 177.584 0.024 0.000 1.173 170 A CA 0.660 52.713 52.037 0.026 0.000 0.673 170 A CB 0.014 19.027 19.000 0.022 0.000 0.830 170 A HN 0.800 nan 8.150 nan 0.000 0.453 171 E N -0.928 119.287 120.200 0.024 0.000 2.413 171 E HA 0.578 4.923 4.350 -0.009 0.000 0.277 171 E C -1.137 175.477 176.600 0.022 0.000 0.958 171 E CA -0.922 55.491 56.400 0.021 0.000 0.779 171 E CB 1.909 31.620 29.700 0.018 0.000 1.278 171 E HN 0.317 nan 8.360 nan 0.000 0.456 172 V N -2.920 117.005 119.914 0.019 0.000 3.078 172 V HA 0.686 4.800 4.120 -0.009 0.000 0.311 172 V C -2.840 173.262 176.094 0.014 0.000 1.138 172 V CA -2.650 59.662 62.300 0.019 0.000 1.007 172 V CB 1.769 33.604 31.823 0.019 0.000 1.045 172 V HN 0.672 nan 8.190 nan 0.000 0.432 173 P HA 0.441 nan 4.420 nan 0.000 0.287 173 P C -0.586 176.717 177.300 0.006 0.000 1.281 173 P CA -0.114 62.993 63.100 0.011 0.000 0.781 173 P CB 1.483 33.191 31.700 0.014 0.000 0.903 174 V N 2.124 122.040 119.914 0.003 0.000 2.864 174 V HA 0.534 4.648 4.120 -0.009 0.000 0.314 174 V C 0.148 176.243 176.094 0.001 0.000 1.073 174 V CA -1.405 60.893 62.300 -0.004 0.000 0.956 174 V CB 1.552 33.368 31.823 -0.011 0.000 1.023 174 V HN 0.251 nan 8.190 nan 0.000 0.435 175 I N 3.874 124.444 120.570 -0.001 0.000 2.692 175 I HA 0.281 4.445 4.170 -0.009 0.000 0.284 175 I C 1.263 177.384 176.117 0.007 0.000 1.159 175 I CA 0.064 61.367 61.300 0.005 0.000 1.423 175 I CB 0.554 38.557 38.000 0.005 0.000 1.380 175 I HN 0.914 nan 8.210 nan 0.000 0.580 176 R N 6.029 126.536 120.500 0.012 0.000 2.784 176 R HA 0.158 4.492 4.340 -0.009 0.000 0.266 176 R C -0.557 175.752 176.300 0.015 0.000 1.044 176 R CA -0.430 55.679 56.100 0.014 0.000 1.151 176 R CB 0.311 30.621 30.300 0.017 0.000 1.037 176 R HN 0.416 nan 8.270 nan 0.000 0.478 177 K N 1.318 121.727 120.400 0.016 0.000 2.436 177 K HA 0.066 4.380 4.320 -0.009 0.000 0.275 177 K C -0.320 176.293 176.600 0.022 0.000 0.999 177 K CA -0.408 55.889 56.287 0.016 0.000 0.980 177 K CB 0.913 33.422 32.500 0.016 0.000 0.919 177 K HN 0.305 nan 8.250 nan 0.000 0.484 178 V N 3.953 123.881 119.914 0.023 0.000 2.572 178 V HA 0.021 4.135 4.120 -0.009 0.000 0.291 178 V C 0.552 176.664 176.094 0.031 0.000 1.039 178 V CA 0.054 62.375 62.300 0.034 0.000 1.055 178 V CB 0.375 32.220 31.823 0.036 0.000 0.969 178 V HN 0.639 nan 8.190 nan 0.000 0.482 179 R N 3.503 124.026 120.500 0.038 0.000 2.265 179 R HA 0.622 4.957 4.340 -0.009 0.000 0.319 179 R C -1.189 175.133 176.300 0.036 0.000 1.006 179 R CA -0.495 55.623 56.100 0.029 0.000 0.880 179 R CB 1.564 31.881 30.300 0.029 0.000 1.077 179 R HN 0.530 nan 8.270 nan 0.000 0.454 180 V N 2.613 122.537 119.914 0.016 0.000 2.376 180 V HA 0.434 4.549 4.120 -0.009 0.000 0.287 180 V C 0.023 176.116 176.094 -0.001 0.000 1.015 180 V CA -0.995 61.315 62.300 0.017 0.000 0.834 180 V CB 1.529 33.358 31.823 0.010 0.000 1.001 180 V HN 0.911 nan 8.190 nan 0.000 0.428 181 A N 6.005 128.844 122.820 0.033 0.000 2.363 181 A HA 0.791 5.106 4.320 -0.009 0.000 0.270 181 A C -0.612 176.988 177.584 0.026 0.000 1.121 181 A CA -0.270 51.799 52.037 0.054 0.000 0.800 181 A CB 0.658 19.722 19.000 0.108 0.000 1.052 181 A HN 0.814 nan 8.150 nan 0.000 0.493 182 L N 3.314 124.559 121.223 0.036 0.000 2.408 182 L HA 0.883 5.218 4.340 -0.009 0.000 0.268 182 L C -1.458 175.478 176.870 0.110 0.000 0.986 182 L CA -0.696 54.127 54.840 -0.029 0.000 0.820 182 L CB 1.807 43.831 42.059 -0.059 0.000 1.303 182 L HN 0.942 nan 8.230 nan 0.000 0.411 183 F N 1.059 120.988 119.950 -0.036 0.000 2.770 183 F HA 0.720 5.241 4.527 -0.010 0.000 0.313 183 F C -1.105 174.684 175.800 -0.019 0.000 1.154 183 F CA -0.721 57.258 58.000 -0.035 0.000 0.923 183 F CB 1.265 40.221 39.000 -0.074 0.000 1.301 183 F HN 0.394 nan 8.300 nan 0.000 0.449 184 S N -0.062 115.800 115.700 0.271 0.000 2.704 184 S HA 0.909 5.374 4.470 -0.009 0.000 0.296 184 S C -1.119 173.634 174.600 0.254 0.000 1.138 184 S CA -0.590 57.717 58.200 0.178 0.000 0.875 184 S CB 1.967 65.224 63.200 0.094 0.000 1.151 184 S HN 1.171 nan 8.310 nan 0.000 0.500 185 T N -1.017 113.650 114.554 0.188 0.000 2.853 185 T HA 0.749 5.094 4.350 -0.009 0.000 0.311 185 T C -0.794 173.984 174.700 0.129 0.000 1.307 185 T CA 0.406 62.608 62.100 0.169 0.000 1.019 185 T CB 1.152 70.146 68.868 0.210 0.000 1.264 185 T HN 2.229 nan 8.240 nan 0.000 0.497 186 G N 2.350 111.223 108.800 0.123 0.000 2.397 186 G HA2 0.174 4.128 3.960 -0.009 0.000 0.453 186 G HA3 0.174 4.128 3.960 -0.009 0.000 0.453 186 G C 0.008 174.955 174.900 0.078 0.000 1.579 186 G CA 0.397 45.560 45.100 0.104 0.000 0.906 186 G HN 0.872 nan 8.290 nan 0.000 0.675 187 D N 0.444 120.887 120.400 0.072 0.000 2.218 187 D HA -0.047 4.588 4.640 -0.009 0.000 0.204 187 D C 1.664 177.979 176.300 0.025 0.000 0.976 187 D CA 1.862 55.889 54.000 0.046 0.000 0.853 187 D CB 0.100 40.925 40.800 0.041 0.000 0.939 187 D HN 0.548 nan 8.370 nan 0.000 0.481 188 E N 0.949 121.164 120.200 0.024 0.000 2.150 188 E HA 0.007 4.352 4.350 -0.009 0.000 0.193 188 E C 0.622 177.213 176.600 -0.015 0.000 0.985 188 E CA 0.241 56.641 56.400 -0.000 0.000 0.814 188 E CB -0.459 29.244 29.700 0.005 0.000 0.752 188 E HN 0.365 nan 8.360 nan 0.000 0.466 189 L N 1.848 123.078 121.223 0.011 0.000 2.559 189 L HA 0.059 4.393 4.340 -0.009 0.000 0.274 189 L C 0.192 177.067 176.870 0.008 0.000 1.205 189 L CA -0.009 54.841 54.840 0.016 0.000 0.907 189 L CB 0.141 42.229 42.059 0.047 0.000 1.153 189 L HN 0.151 nan 8.230 nan 0.000 0.490 190 Q N 3.025 122.821 119.800 -0.006 0.000 2.377 190 Q HA 0.588 4.923 4.340 -0.009 0.000 0.271 190 Q C -1.091 175.017 176.000 0.179 0.000 1.077 190 Q CA -0.517 55.297 55.803 0.019 0.000 0.820 190 Q CB 2.055 30.697 28.738 -0.160 0.000 1.347 190 Q HN 0.484 nan 8.270 nan 0.000 0.444 191 L N 4.271 125.600 121.223 0.177 0.000 2.399 191 L HA 0.601 4.935 4.340 -0.009 0.000 0.265 191 L C -1.885 175.122 176.870 0.230 0.000 1.089 191 L CA -2.155 52.786 54.840 0.168 0.000 0.802 191 L CB 1.050 43.160 42.059 0.085 0.000 1.180 191 L HN 0.649 nan 8.230 nan 0.000 0.454 192 P HA 0.023 nan 4.420 nan 0.000 0.270 192 P C 0.601 177.886 177.300 -0.025 0.000 1.223 192 P CA 0.579 63.595 63.100 -0.141 0.000 0.785 192 P CB 0.788 32.377 31.700 -0.185 0.000 0.923 193 G N 0.166 108.934 108.800 -0.054 0.000 2.304 193 G HA2 -0.190 3.764 3.960 -0.009 0.000 0.252 193 G HA3 -0.190 3.764 3.960 -0.009 0.000 0.252 193 G C 0.010 174.955 174.900 0.074 0.000 1.014 193 G CA -0.100 45.004 45.100 0.007 0.000 0.619 193 G HN 0.673 nan 8.290 nan 0.000 0.525 194 Q N 1.776 121.665 119.800 0.148 0.000 2.278 194 Q HA 0.487 4.821 4.340 -0.009 0.000 0.257 194 Q C -2.543 173.565 176.000 0.180 0.000 0.928 194 Q CA -2.268 53.617 55.803 0.138 0.000 0.932 194 Q CB 1.814 30.618 28.738 0.111 0.000 1.221 194 Q HN 0.372 nan 8.270 nan 0.000 0.434 195 P HA 0.008 nan 4.420 nan 0.000 0.267 195 P C -0.335 176.961 177.300 -0.007 0.000 1.200 195 P CA -0.480 62.665 63.100 0.075 0.000 0.772 195 P CB 0.584 32.309 31.700 0.042 0.000 0.855 196 L N 2.578 123.756 121.223 -0.076 0.000 2.462 196 L HA 0.213 4.547 4.340 -0.009 0.000 0.272 196 L C 1.576 178.392 176.870 -0.090 0.000 1.166 196 L CA 0.675 55.408 54.840 -0.179 0.000 0.880 196 L CB -0.564 41.364 42.059 -0.219 0.000 1.142 196 L HN 0.562 nan 8.230 nan 0.000 0.473 197 G N 2.626 111.375 108.800 -0.084 0.000 2.529 197 G HA2 -0.015 3.939 3.960 -0.009 0.000 0.234 197 G HA3 -0.015 3.939 3.960 -0.009 0.000 0.234 197 G C 0.667 175.542 174.900 -0.041 0.000 1.527 197 G CA 0.040 45.112 45.100 -0.046 0.000 1.062 197 G HN 0.633 nan 8.290 nan 0.000 0.558 198 D N -0.151 120.233 120.400 -0.026 0.000 2.143 198 D HA -0.061 4.574 4.640 -0.009 0.000 0.230 198 D C 2.220 178.506 176.300 -0.024 0.000 1.058 198 D CA 1.723 55.712 54.000 -0.019 0.000 0.947 198 D CB -0.858 39.936 40.800 -0.010 0.000 1.269 198 D HN 0.381 nan 8.370 nan 0.000 0.498 199 G N 0.563 109.351 108.800 -0.020 0.000 3.678 199 G HA2 0.130 4.085 3.960 -0.009 0.000 0.287 199 G HA3 0.130 4.085 3.960 -0.009 0.000 0.287 199 G C 0.087 174.967 174.900 -0.034 0.000 1.280 199 G CA -0.246 44.843 45.100 -0.019 0.000 1.118 199 G HN 0.218 nan 8.290 nan 0.000 0.563 200 Q N 0.050 119.813 119.800 -0.061 0.000 2.299 200 Q HA 0.552 4.886 4.340 -0.009 0.000 0.246 200 Q C -0.127 175.780 176.000 -0.156 0.000 0.935 200 Q CA -0.091 55.652 55.803 -0.099 0.000 0.887 200 Q CB 2.059 30.724 28.738 -0.122 0.000 1.223 200 Q HN 0.569 nan 8.270 nan 0.000 0.439 201 I N -2.660 117.807 120.570 -0.171 0.000 3.074 201 I HA 0.421 4.585 4.170 -0.009 0.000 0.310 201 I C -1.306 174.667 176.117 -0.240 0.000 1.153 201 I CA -1.269 59.909 61.300 -0.203 0.000 0.993 201 I CB 1.350 39.312 38.000 -0.062 0.000 1.237 201 I HN 0.413 nan 8.210 nan 0.000 0.443 202 Y N 1.008 121.307 120.300 -0.002 0.000 2.335 202 Y HA 0.239 4.784 4.550 -0.009 0.000 0.331 202 Y C 0.331 176.220 175.900 -0.018 0.000 1.094 202 Y CA -0.076 58.017 58.100 -0.011 0.000 1.253 202 Y CB 0.586 39.033 38.460 -0.021 0.000 1.203 202 Y HN 0.530 nan 8.280 nan 0.000 0.508 203 D N 1.941 122.432 120.400 0.151 0.000 2.363 203 D HA -0.003 4.631 4.640 -0.009 0.000 0.263 203 D C 0.797 177.121 176.300 0.039 0.000 1.258 203 D CA 0.393 54.438 54.000 0.074 0.000 0.907 203 D CB 0.849 41.689 40.800 0.067 0.000 1.107 203 D HN 0.754 nan 8.370 nan 0.000 0.495 204 T N 0.294 114.845 114.554 -0.006 0.000 2.987 204 T HA 0.022 4.366 4.350 -0.009 0.000 0.248 204 T C 1.421 176.061 174.700 -0.101 0.000 0.997 204 T CA -0.273 61.780 62.100 -0.077 0.000 1.013 204 T CB -0.013 68.768 68.868 -0.145 0.000 1.077 204 T HN 0.101 nan 8.240 nan 0.000 0.483 205 N N 1.917 120.580 118.700 -0.062 0.000 2.104 205 N HA -0.028 4.706 4.740 -0.009 0.000 0.190 205 N C 1.909 177.385 175.510 -0.056 0.000 1.024 205 N CA 1.258 54.278 53.050 -0.051 0.000 0.853 205 N CB -0.408 38.075 38.487 -0.005 0.000 1.008 205 N HN 0.459 nan 8.380 nan 0.000 0.424 206 R N 0.589 121.072 120.500 -0.029 0.000 2.081 206 R HA -0.002 4.332 4.340 -0.009 0.000 0.235 206 R C 2.185 178.481 176.300 -0.006 0.000 1.131 206 R CA 0.799 56.892 56.100 -0.011 0.000 0.960 206 R CB -0.366 29.949 30.300 0.026 0.000 0.856 206 R HN 0.211 nan 8.270 nan 0.000 0.436 207 L N 0.164 121.366 121.223 -0.034 0.000 2.046 207 L HA -0.130 4.204 4.340 -0.009 0.000 0.208 207 L C 2.298 179.128 176.870 -0.067 0.000 1.077 207 L CA 1.737 56.544 54.840 -0.055 0.000 0.747 207 L CB -0.632 41.373 42.059 -0.090 0.000 0.896 207 L HN 0.355 nan 8.230 nan 0.000 0.432 208 A N -0.475 122.282 122.820 -0.104 0.000 1.865 208 A HA -0.199 4.115 4.320 -0.009 0.000 0.217 208 A C 2.201 179.657 177.584 -0.214 0.000 1.191 208 A CA 2.120 54.080 52.037 -0.129 0.000 0.623 208 A CB -0.981 17.946 19.000 -0.122 0.000 0.826 208 A HN 0.323 nan 8.150 nan 0.000 0.444 209 V N -0.355 119.405 119.914 -0.257 0.000 2.343 209 V HA -0.254 3.860 4.120 -0.009 0.000 0.247 209 V C 2.544 178.461 176.094 -0.295 0.000 1.051 209 V CA 2.170 64.193 62.300 -0.462 0.000 1.036 209 V CB -0.997 30.626 31.823 -0.334 0.000 0.654 209 V HN 0.753 nan 8.190 nan 0.000 0.451 210 H N 0.218 119.166 119.070 -0.204 0.000 2.319 210 H HA -0.140 4.410 4.556 -0.010 0.000 0.299 210 H C 2.240 177.491 175.328 -0.129 0.000 1.092 210 H CA 2.189 58.159 56.048 -0.129 0.000 1.302 210 H CB -0.236 29.475 29.762 -0.085 0.000 1.373 210 H HN 0.328 nan 8.280 nan 0.000 0.497 211 L N -0.179 121.086 121.223 0.069 0.000 1.989 211 L HA -0.260 4.074 4.340 -0.009 0.000 0.211 211 L C 3.080 179.915 176.870 -0.058 0.000 1.071 211 L CA 1.607 56.448 54.840 0.002 0.000 0.749 211 L CB -0.448 41.578 42.059 -0.055 0.000 0.890 211 L HN 0.273 nan 8.230 nan 0.000 0.431 212 M N -0.717 118.782 119.600 -0.168 0.000 2.086 212 M HA -0.228 4.246 4.480 -0.009 0.000 0.261 212 M C 2.378 178.650 176.300 -0.045 0.000 1.067 212 M CA 1.748 56.949 55.300 -0.166 0.000 1.116 212 M CB -0.515 31.880 32.600 -0.342 0.000 1.348 212 M HN 0.226 nan 8.290 nan 0.000 0.407 213 L N 0.035 121.215 121.223 -0.072 0.000 2.013 213 L HA -0.260 4.074 4.340 -0.009 0.000 0.212 213 L C 2.504 179.374 176.870 0.001 0.000 1.073 213 L CA 1.562 56.409 54.840 0.011 0.000 0.753 213 L CB -0.770 41.249 42.059 -0.066 0.000 0.890 213 L HN 0.381 nan 8.230 nan 0.000 0.432 214 E N -0.575 119.622 120.200 -0.004 0.000 2.051 214 E HA -0.230 4.115 4.350 -0.009 0.000 0.192 214 E C 2.243 178.854 176.600 0.019 0.000 0.991 214 E CA 0.910 57.323 56.400 0.022 0.000 0.799 214 E CB -0.080 29.665 29.700 0.074 0.000 0.748 214 E HN 0.443 nan 8.360 nan 0.000 0.449 215 Q N 0.241 120.045 119.800 0.007 0.000 2.291 215 Q HA -0.039 4.296 4.340 -0.009 0.000 0.205 215 Q C 2.046 178.054 176.000 0.013 0.000 0.970 215 Q CA 0.728 56.533 55.803 0.002 0.000 0.876 215 Q CB -0.035 28.688 28.738 -0.025 0.000 0.935 215 Q HN 0.352 nan 8.270 nan 0.000 0.455 216 L N -1.056 120.178 121.223 0.018 0.000 2.599 216 L HA 0.103 4.437 4.340 -0.009 0.000 0.230 216 L C 1.011 177.894 176.870 0.020 0.000 1.141 216 L CA 0.510 55.361 54.840 0.018 0.000 0.877 216 L CB -0.121 41.959 42.059 0.034 0.000 1.009 216 L HN 0.334 nan 8.230 nan 0.000 0.447 217 G N -0.753 108.063 108.800 0.027 0.000 2.141 217 G HA2 -0.244 3.711 3.960 -0.009 0.000 0.242 217 G HA3 -0.244 3.711 3.960 -0.009 0.000 0.242 217 G C 0.216 175.127 174.900 0.019 0.000 0.982 217 G CA -0.035 45.083 45.100 0.029 0.000 0.662 217 G HN 0.328 nan 8.290 nan 0.000 0.527 218 C N 0.124 119.433 119.300 0.014 0.000 2.362 218 C HA 0.655 5.109 4.460 -0.009 0.000 0.363 218 C C 0.833 175.820 174.990 -0.004 0.000 1.220 218 C CA -0.628 58.395 59.018 0.008 0.000 2.379 218 C CB 1.431 29.178 27.740 0.012 0.000 2.351 218 C HN 0.525 nan 8.230 nan 0.000 0.582 219 E N 0.778 120.976 120.200 -0.004 0.000 2.115 219 E HA 0.422 4.766 4.350 -0.009 0.000 0.282 219 E C -1.193 175.383 176.600 -0.040 0.000 0.987 219 E CA -0.135 56.258 56.400 -0.010 0.000 0.797 219 E CB 0.925 30.628 29.700 0.004 0.000 1.086 219 E HN 0.476 nan 8.360 nan 0.000 0.397 220 V N 6.271 126.134 119.914 -0.085 0.000 2.439 220 V HA 0.307 4.421 4.120 -0.009 0.000 0.282 220 V C 0.145 176.180 176.094 -0.100 0.000 1.039 220 V CA -0.492 61.701 62.300 -0.179 0.000 0.913 220 V CB 1.285 32.797 31.823 -0.518 0.000 0.983 220 V HN 0.584 nan 8.190 nan 0.000 0.460 221 I N 4.263 124.795 120.570 -0.064 0.000 2.428 221 I HA 0.323 4.487 4.170 -0.009 0.000 0.279 221 I C 0.166 176.293 176.117 0.016 0.000 1.040 221 I CA -0.029 61.270 61.300 -0.001 0.000 1.171 221 I CB 0.643 38.655 38.000 0.021 0.000 1.312 221 I HN 0.596 nan 8.210 nan 0.000 0.470 222 N N 5.471 124.200 118.700 0.048 0.000 2.415 222 N HA 0.180 4.915 4.740 -0.009 0.000 0.246 222 N C 0.635 176.206 175.510 0.101 0.000 1.078 222 N CA -0.447 52.665 53.050 0.103 0.000 0.942 222 N CB 0.717 39.341 38.487 0.230 0.000 1.140 222 N HN 0.479 nan 8.380 nan 0.000 0.501 223 L N 2.893 124.186 121.223 0.117 0.000 2.591 223 L HA 0.310 4.645 4.340 -0.009 0.000 0.228 223 L C 1.573 178.485 176.870 0.071 0.000 1.133 223 L CA 0.695 55.579 54.840 0.074 0.000 0.880 223 L CB -1.765 40.316 42.059 0.038 0.000 1.033 223 L HN 0.836 nan 8.230 nan 0.000 0.450 224 G N 0.201 109.067 108.800 0.110 0.000 2.553 224 G HA2 -0.285 3.670 3.960 -0.009 0.000 0.242 224 G HA3 -0.285 3.670 3.960 -0.009 0.000 0.242 224 G C 0.012 174.980 174.900 0.114 0.000 1.277 224 G CA -0.281 44.875 45.100 0.093 0.000 0.910 224 G HN 0.099 nan 8.290 nan 0.000 0.576 225 I N 1.655 122.273 120.570 0.080 0.000 2.352 225 I HA 0.266 4.431 4.170 -0.009 0.000 0.290 225 I C 0.460 176.610 176.117 0.055 0.000 1.036 225 I CA -0.712 60.640 61.300 0.087 0.000 1.336 225 I CB 0.833 38.876 38.000 0.071 0.000 1.407 225 I HN 0.251 nan 8.210 nan 0.000 0.497 226 I N 6.548 127.153 120.570 0.058 0.000 2.428 226 I HA 0.193 4.357 4.170 -0.009 0.000 0.289 226 I C 0.772 176.916 176.117 0.045 0.000 1.019 226 I CA -0.431 60.865 61.300 -0.006 0.000 1.351 226 I CB 0.800 38.736 38.000 -0.106 0.000 1.412 226 I HN 0.678 nan 8.210 nan 0.000 0.513 227 R N 3.228 123.746 120.500 0.030 0.000 2.590 227 R HA 0.091 4.426 4.340 -0.009 0.000 0.274 227 R C -0.458 175.889 176.300 0.079 0.000 1.061 227 R CA -0.494 55.633 56.100 0.045 0.000 1.081 227 R CB 0.351 30.664 30.300 0.022 0.000 0.984 227 R HN 0.395 nan 8.270 nan 0.000 0.448 228 D N 2.093 122.549 120.400 0.093 0.000 2.606 228 D HA 0.009 4.643 4.640 -0.009 0.000 0.234 228 D C -1.099 175.177 176.300 -0.040 0.000 1.140 228 D CA 1.001 55.089 54.000 0.146 0.000 1.182 228 D CB -0.301 40.578 40.800 0.131 0.000 1.130 228 D HN 0.550 nan 8.370 nan 0.000 0.485 229 D N 0.158 120.524 120.400 -0.057 0.000 2.990 229 D HA 0.216 4.851 4.640 -0.009 0.000 0.227 229 D C -1.978 174.220 176.300 -0.170 0.000 1.249 229 D CA -1.467 52.401 54.000 -0.221 0.000 0.891 229 D CB 1.987 42.749 40.800 -0.062 0.000 1.647 229 D HN -0.128 nan 8.370 nan 0.000 0.530 230 P HA -0.159 nan 4.420 nan 0.000 0.218 230 P C 0.945 178.163 177.300 -0.137 0.000 1.149 230 P CA 1.126 64.148 63.100 -0.130 0.000 0.817 230 P CB 0.172 31.705 31.700 -0.278 0.000 0.785 231 H N 0.028 119.094 119.070 -0.006 0.000 2.395 231 H HA 0.088 4.638 4.556 -0.009 0.000 0.299 231 H C 2.098 177.427 175.328 0.003 0.000 1.070 231 H CA 1.536 57.583 56.048 -0.002 0.000 1.356 231 H CB -0.766 28.982 29.762 -0.023 0.000 1.401 231 H HN 0.111 nan 8.280 nan 0.000 0.524 232 A N 1.469 124.349 122.820 0.100 0.000 1.898 232 A HA -0.075 4.239 4.320 -0.009 0.000 0.216 232 A C 2.622 180.208 177.584 0.003 0.000 1.181 232 A CA 0.766 52.825 52.037 0.037 0.000 0.620 232 A CB -0.789 18.224 19.000 0.021 0.000 0.819 232 A HN 0.286 nan 8.150 nan 0.000 0.442 233 L N -0.986 120.275 121.223 0.063 0.000 2.017 233 L HA -0.166 4.168 4.340 -0.009 0.000 0.208 233 L C 2.833 179.793 176.870 0.149 0.000 1.073 233 L CA 1.602 56.497 54.840 0.091 0.000 0.745 233 L CB -0.475 41.751 42.059 0.279 0.000 0.894 233 L HN 0.434 nan 8.230 nan 0.000 0.432 234 R N -0.579 120.011 120.500 0.150 0.000 2.096 234 R HA -0.212 4.123 4.340 -0.009 0.000 0.240 234 R C 2.216 178.580 176.300 0.107 0.000 1.139 234 R CA 1.673 57.856 56.100 0.138 0.000 0.952 234 R CB -0.334 30.010 30.300 0.073 0.000 0.854 234 R HN 0.462 nan 8.270 nan 0.000 0.436 235 A N 0.563 123.414 122.820 0.051 0.000 1.933 235 A HA -0.107 4.208 4.320 -0.009 0.000 0.218 235 A C 2.293 179.848 177.584 -0.049 0.000 1.175 235 A CA 1.635 53.678 52.037 0.010 0.000 0.628 235 A CB -0.544 18.457 19.000 0.001 0.000 0.814 235 A HN 0.465 nan 8.150 nan 0.000 0.444 236 A N -1.034 121.694 122.820 -0.154 0.000 1.877 236 A HA -0.051 4.264 4.320 -0.009 0.000 0.216 236 A C 2.004 179.403 177.584 -0.308 0.000 1.186 236 A CA 1.518 53.322 52.037 -0.389 0.000 0.620 236 A CB -0.790 17.695 19.000 -0.857 0.000 0.822 236 A HN 0.483 nan 8.150 nan 0.000 0.443 237 F N -0.033 119.827 119.950 -0.150 0.000 2.134 237 F HA -0.148 4.374 4.527 -0.010 0.000 0.299 237 F C 2.203 178.003 175.800 0.000 0.000 1.097 237 F CA 1.537 59.541 58.000 0.006 0.000 1.264 237 F CB -0.266 38.729 39.000 -0.007 0.000 1.001 237 F HN 0.131 nan 8.300 nan 0.000 0.479 238 I N 0.023 120.685 120.570 0.154 0.000 2.163 238 I HA -0.328 3.837 4.170 -0.009 0.000 0.243 238 I C 2.489 178.635 176.117 0.049 0.000 1.085 238 I CA 1.951 63.299 61.300 0.079 0.000 1.347 238 I CB -0.540 37.486 38.000 0.044 0.000 1.044 238 I HN 0.193 nan 8.210 nan 0.000 0.408 239 E N 1.456 121.667 120.200 0.018 0.000 2.051 239 E HA -0.238 4.106 4.350 -0.009 0.000 0.192 239 E C 2.205 178.823 176.600 0.030 0.000 0.991 239 E CA 1.487 57.891 56.400 0.006 0.000 0.799 239 E CB -0.101 29.583 29.700 -0.027 0.000 0.748 239 E HN 0.442 nan 8.360 nan 0.000 0.449 240 A N 1.043 123.892 122.820 0.048 0.000 1.858 240 A HA -0.251 4.063 4.320 -0.009 0.000 0.216 240 A C 2.039 179.689 177.584 0.110 0.000 1.190 240 A CA 1.995 54.095 52.037 0.105 0.000 0.617 240 A CB -0.988 18.134 19.000 0.202 0.000 0.827 240 A HN 0.542 nan 8.150 nan 0.000 0.443 241 D N -0.292 120.184 120.400 0.127 0.000 2.178 241 D HA -0.150 4.484 4.640 -0.009 0.000 0.201 241 D C 2.074 178.401 176.300 0.045 0.000 0.980 241 D CA 1.852 55.910 54.000 0.095 0.000 0.842 241 D CB -0.019 40.840 40.800 0.098 0.000 0.948 241 D HN 0.482 nan 8.370 nan 0.000 0.472 242 S N -0.755 114.968 115.700 0.038 0.000 2.461 242 S HA -0.184 4.280 4.470 -0.009 0.000 0.228 242 S C 1.783 176.395 174.600 0.020 0.000 1.005 242 S CA 0.897 59.109 58.200 0.019 0.000 0.942 242 S CB -0.389 62.820 63.200 0.015 0.000 0.776 242 S HN 0.623 nan 8.310 nan 0.000 0.514 243 Q N 0.180 119.997 119.800 0.029 0.000 2.217 243 Q HA 0.630 4.965 4.340 -0.009 0.000 0.217 243 Q C 0.345 176.365 176.000 0.033 0.000 0.844 243 Q CA 0.016 55.835 55.803 0.027 0.000 0.957 243 Q CB 0.529 29.282 28.738 0.025 0.000 1.127 243 Q HN 0.516 nan 8.270 nan 0.000 0.503 244 A N 0.354 123.201 122.820 0.044 0.000 2.423 244 A HA 0.428 4.742 4.320 -0.009 0.000 0.304 244 A C -0.467 177.152 177.584 0.058 0.000 1.104 244 A CA -0.593 51.475 52.037 0.052 0.000 0.757 244 A CB 1.377 20.416 19.000 0.064 0.000 1.313 244 A HN 0.169 nan 8.150 nan 0.000 0.423 245 D N -0.433 120.011 120.400 0.073 0.000 2.305 245 D HA 0.146 4.781 4.640 -0.009 0.000 0.206 245 D C -0.078 176.316 176.300 0.155 0.000 0.974 245 D CA 1.300 55.361 54.000 0.102 0.000 0.871 245 D CB 0.585 41.457 40.800 0.119 0.000 0.947 245 D HN 0.190 nan 8.370 nan 0.000 0.516 246 V N 1.275 121.272 119.914 0.138 0.000 2.733 246 V HA 0.274 4.389 4.120 -0.009 0.000 0.306 246 V C -0.366 175.797 176.094 0.115 0.000 1.084 246 V CA -0.857 61.539 62.300 0.160 0.000 0.905 246 V CB 2.967 34.878 31.823 0.146 0.000 1.010 246 V HN -0.275 nan 8.190 nan 0.000 0.424 247 V N 5.758 125.753 119.914 0.136 0.000 2.409 247 V HA 0.567 4.681 4.120 -0.009 0.000 0.291 247 V C -0.383 175.694 176.094 -0.029 0.000 1.020 247 V CA -0.366 62.012 62.300 0.131 0.000 0.848 247 V CB 1.734 33.757 31.823 0.332 0.000 0.990 247 V HN 0.693 nan 8.190 nan 0.000 0.430 248 I N 3.565 124.034 120.570 -0.168 0.000 2.418 248 I HA 0.373 4.538 4.170 -0.009 0.000 0.287 248 I C 0.179 176.007 176.117 -0.483 0.000 1.008 248 I CA -0.291 60.820 61.300 -0.314 0.000 1.104 248 I CB 2.114 40.032 38.000 -0.136 0.000 1.264 248 I HN 0.611 nan 8.210 nan 0.000 0.438 249 S N 3.669 119.074 115.700 -0.492 0.000 2.430 249 S HA 0.155 4.619 4.470 -0.009 0.000 0.289 249 S C 1.091 175.558 174.600 -0.222 0.000 1.143 249 S CA -0.527 57.401 58.200 -0.454 0.000 1.067 249 S CB 0.801 63.944 63.200 -0.096 0.000 0.964 249 S HN 0.725 nan 8.310 nan 0.000 0.485 250 S N 3.373 118.971 115.700 -0.170 0.000 2.603 250 S HA 0.447 4.912 4.470 -0.009 0.000 0.220 250 S C 0.898 175.497 174.600 -0.001 0.000 0.967 250 S CA 0.021 58.185 58.200 -0.060 0.000 0.920 250 S CB -0.415 62.753 63.200 -0.053 0.000 0.773 250 S HN 1.457 nan 8.310 nan 0.000 0.529 251 G N -1.774 107.032 108.800 0.010 0.000 2.351 251 G HA2 0.522 4.476 3.960 -0.009 0.000 0.296 251 G HA3 0.522 4.476 3.960 -0.009 0.000 0.296 251 G C 0.188 175.134 174.900 0.076 0.000 1.685 251 G CA -0.224 44.909 45.100 0.055 0.000 0.936 251 G HN 1.194 nan 8.290 nan 0.000 0.714 252 G N -1.074 107.779 108.800 0.087 0.000 2.424 252 G HA2 -0.025 3.930 3.960 -0.009 0.000 0.207 252 G HA3 -0.025 3.930 3.960 -0.009 0.000 0.207 252 G C 0.580 175.534 174.900 0.090 0.000 1.061 252 G CA 0.617 45.772 45.100 0.092 0.000 0.657 252 G HN 1.812 nan 8.290 nan 0.000 0.508 253 V N 2.378 122.377 119.914 0.141 0.000 2.686 253 V HA 0.565 4.679 4.120 -0.009 0.000 0.295 253 V C 1.367 177.553 176.094 0.153 0.000 1.055 253 V CA 0.456 62.861 62.300 0.174 0.000 1.050 253 V CB 1.553 33.586 31.823 0.349 0.000 0.984 253 V HN 0.899 nan 8.190 nan 0.000 0.482 254 S N 3.323 119.082 115.700 0.098 0.000 2.552 254 S HA 0.097 4.562 4.470 -0.009 0.000 0.289 254 S C 0.459 175.218 174.600 0.264 0.000 1.304 254 S CA -0.134 58.117 58.200 0.085 0.000 1.063 254 S CB 0.794 63.962 63.200 -0.053 0.000 0.848 254 S HN 1.038 nan 8.310 nan 0.000 0.499 255 V N 2.449 122.493 119.914 0.218 0.000 3.043 255 V HA 0.712 4.826 4.120 -0.009 0.000 0.357 255 V C 1.170 177.454 176.094 0.318 0.000 1.372 255 V CA 0.247 62.765 62.300 0.363 0.000 1.214 255 V CB -0.606 31.360 31.823 0.239 0.000 1.224 255 V HN 1.151 nan 8.190 nan 0.000 0.507 256 G N 0.337 109.074 108.800 -0.106 0.000 3.675 256 G HA2 -0.116 3.838 3.960 -0.009 0.000 0.206 256 G HA3 -0.116 3.838 3.960 -0.009 0.000 0.206 256 G C -0.050 174.642 174.900 -0.347 0.000 1.086 256 G CA -0.241 44.646 45.100 -0.355 0.000 0.894 256 G HN 0.449 nan 8.290 nan 0.000 0.412 257 E N 1.730 121.826 120.200 -0.173 0.000 2.376 257 E HA 0.588 4.933 4.350 -0.009 0.000 0.266 257 E C 0.673 177.171 176.600 -0.170 0.000 1.009 257 E CA 0.695 57.018 56.400 -0.129 0.000 0.902 257 E CB 1.182 30.850 29.700 -0.054 0.000 0.972 257 E HN 0.701 nan 8.360 nan 0.000 0.439 258 A N 4.603 127.336 122.820 -0.147 0.000 2.440 258 A HA 0.439 4.753 4.320 -0.009 0.000 0.251 258 A C -0.370 177.164 177.584 -0.084 0.000 1.089 258 A CA 0.038 51.996 52.037 -0.133 0.000 0.779 258 A CB 0.089 19.030 19.000 -0.099 0.000 1.022 258 A HN 0.717 nan 8.150 nan 0.000 0.492 259 D N -0.180 120.169 120.400 -0.085 0.000 2.827 259 D HA 0.051 4.686 4.640 -0.009 0.000 0.336 259 D C 0.206 176.481 176.300 -0.041 0.000 1.374 259 D CA 0.088 54.063 54.000 -0.040 0.000 0.794 259 D CB -0.423 40.341 40.800 -0.060 0.000 1.364 259 D HN 0.489 nan 8.370 nan 0.000 0.464 260 Y N -0.888 119.399 120.300 -0.022 0.000 2.274 260 Y HA -0.085 4.459 4.550 -0.009 0.000 0.290 260 Y C 2.152 178.041 175.900 -0.019 0.000 1.145 260 Y CA 2.264 60.346 58.100 -0.030 0.000 1.203 260 Y CB -1.331 37.109 38.460 -0.033 0.000 0.984 260 Y HN 0.500 nan 8.280 nan 0.000 0.533 261 T N -1.432 112.685 114.554 -0.728 0.000 2.821 261 T HA -0.182 4.162 4.350 -0.009 0.000 0.267 261 T C 1.835 176.426 174.700 -0.182 0.000 1.046 261 T CA 1.478 63.306 62.100 -0.454 0.000 1.139 261 T CB -0.454 68.156 68.868 -0.430 0.000 0.871 261 T HN 0.488 nan 8.240 nan 0.000 0.454 262 K N 0.977 121.279 120.400 -0.164 0.000 2.148 262 K HA -0.110 4.204 4.320 -0.009 0.000 0.204 262 K C 2.560 179.110 176.600 -0.084 0.000 1.050 262 K CA 1.696 57.917 56.287 -0.110 0.000 0.942 262 K CB -0.421 31.953 32.500 -0.210 0.000 0.724 262 K HN 0.594 nan 8.250 nan 0.000 0.446 263 T N -1.137 113.368 114.554 -0.081 0.000 2.942 263 T HA -0.031 4.313 4.350 -0.009 0.000 0.265 263 T C 1.864 176.511 174.700 -0.088 0.000 1.062 263 T CA 0.748 62.810 62.100 -0.062 0.000 1.139 263 T CB -0.175 68.674 68.868 -0.031 0.000 0.883 263 T HN 0.173 nan 8.240 nan 0.000 0.468 264 I N 0.719 121.227 120.570 -0.102 0.000 2.252 264 I HA -0.032 4.132 4.170 -0.009 0.000 0.245 264 I C 2.608 178.532 176.117 -0.323 0.000 1.102 264 I CA 1.009 62.213 61.300 -0.160 0.000 1.385 264 I CB -0.297 37.643 38.000 -0.101 0.000 1.064 264 I HN 0.240 nan 8.210 nan 0.000 0.414 265 L N 0.163 121.169 121.223 -0.362 0.000 2.012 265 L HA -0.283 4.051 4.340 -0.009 0.000 0.210 265 L C 2.414 179.102 176.870 -0.303 0.000 1.073 265 L CA 1.762 56.313 54.840 -0.481 0.000 0.748 265 L CB -0.462 41.432 42.059 -0.276 0.000 0.891 265 L HN 0.296 nan 8.230 nan 0.000 0.431 266 E N -0.794 119.321 120.200 -0.142 0.000 2.268 266 E HA -0.233 4.112 4.350 -0.009 0.000 0.195 266 E C 1.989 178.519 176.600 -0.117 0.000 0.995 266 E CA 0.693 57.041 56.400 -0.085 0.000 0.836 266 E CB 0.164 29.849 29.700 -0.024 0.000 0.763 266 E HN 0.382 nan 8.360 nan 0.000 0.491 267 E N 0.153 120.266 120.200 -0.145 0.000 2.250 267 E HA -0.073 4.271 4.350 -0.009 0.000 0.192 267 E C 1.580 178.087 176.600 -0.154 0.000 0.986 267 E CA 0.358 56.682 56.400 -0.125 0.000 0.849 267 E CB 0.280 29.918 29.700 -0.104 0.000 0.797 267 E HN 0.273 nan 8.360 nan 0.000 0.482 268 L N -0.115 120.967 121.223 -0.235 0.000 2.585 268 L HA 0.320 4.655 4.340 -0.009 0.000 0.226 268 L C 0.988 177.715 176.870 -0.237 0.000 1.113 268 L CA 0.295 54.989 54.840 -0.242 0.000 0.876 268 L CB 0.781 42.636 42.059 -0.341 0.000 1.072 268 L HN 0.085 nan 8.230 nan 0.000 0.468 269 G N -0.669 107.985 108.800 -0.244 0.000 2.441 269 G HA2 0.250 4.204 3.960 -0.009 0.000 0.294 269 G HA3 0.250 4.204 3.960 -0.009 0.000 0.294 269 G C -1.558 173.225 174.900 -0.196 0.000 1.393 269 G CA -0.657 44.311 45.100 -0.221 0.000 0.796 269 G HN -0.152 nan 8.290 nan 0.000 0.494 270 E N 0.559 120.656 120.200 -0.172 0.000 1.941 270 E HA 0.426 4.770 4.350 -0.009 0.000 0.275 270 E C -0.498 175.991 176.600 -0.184 0.000 1.113 270 E CA -0.202 56.119 56.400 -0.132 0.000 0.878 270 E CB 1.086 30.738 29.700 -0.081 0.000 1.070 270 E HN 0.325 nan 8.360 nan 0.000 0.399 271 I N 1.722 122.150 120.570 -0.237 0.000 2.378 271 I HA 0.352 4.516 4.170 -0.009 0.000 0.291 271 I C 0.164 175.985 176.117 -0.493 0.000 0.992 271 I CA -0.691 60.363 61.300 -0.410 0.000 1.154 271 I CB 1.889 39.556 38.000 -0.555 0.000 1.315 271 I HN 0.341 nan 8.210 nan 0.000 0.448 272 A N 6.279 128.784 122.820 -0.525 0.000 2.309 272 A HA 0.726 5.040 4.320 -0.009 0.000 0.298 272 A C -0.948 176.176 177.584 -0.766 0.000 1.165 272 A CA -0.188 51.568 52.037 -0.467 0.000 0.821 272 A CB 0.076 18.840 19.000 -0.393 0.000 1.102 272 A HN 0.524 nan 8.150 nan 0.000 0.500 273 F N 2.607 122.478 119.950 -0.131 0.000 2.347 273 F HA 0.366 4.888 4.527 -0.009 0.000 0.366 273 F C -0.362 175.544 175.800 0.177 0.000 1.107 273 F CA -0.301 57.678 58.000 -0.035 0.000 1.058 273 F CB 0.981 39.992 39.000 0.019 0.000 1.236 273 F HN 0.541 nan 8.300 nan 0.000 0.456 274 W N 3.105 124.555 121.300 0.250 0.000 2.448 274 W HA 0.480 5.134 4.660 -0.010 0.000 0.339 274 W C -0.296 176.344 176.519 0.201 0.000 1.124 274 W CA -1.539 55.934 57.345 0.214 0.000 1.262 274 W CB 1.008 30.601 29.460 0.222 0.000 1.251 274 W HN 0.213 nan 8.180 nan 0.000 0.597 275 K N 3.352 123.976 120.400 0.373 0.000 2.521 275 K HA 0.319 4.634 4.320 -0.009 0.000 0.248 275 K C -0.861 175.837 176.600 0.164 0.000 0.978 275 K CA -1.064 55.364 56.287 0.235 0.000 0.947 275 K CB 1.418 34.022 32.500 0.173 0.000 1.165 275 K HN 0.003 nan 8.250 nan 0.000 0.445 276 L N 1.832 123.154 121.223 0.166 0.000 2.349 276 L HA 0.200 4.534 4.340 -0.009 0.000 0.275 276 L C 0.847 177.757 176.870 0.067 0.000 1.115 276 L CA -0.013 54.881 54.840 0.089 0.000 0.820 276 L CB 0.947 43.060 42.059 0.090 0.000 1.135 276 L HN 0.688 nan 8.230 nan 0.000 0.445 277 A N 6.381 129.221 122.820 0.033 0.000 3.077 277 A HA 0.456 4.771 4.320 -0.009 0.000 0.255 277 A C 0.149 177.762 177.584 0.048 0.000 1.728 277 A CA -0.146 51.910 52.037 0.032 0.000 1.383 277 A CB -1.300 17.704 19.000 0.006 0.000 1.097 277 A HN 0.635 nan 8.150 nan 0.000 0.634 278 I N -3.400 117.216 120.570 0.076 0.000 3.074 278 I HA 0.790 4.954 4.170 -0.009 0.000 0.310 278 I C -0.871 175.317 176.117 0.118 0.000 1.153 278 I CA -1.273 60.100 61.300 0.122 0.000 0.993 278 I CB 2.408 40.500 38.000 0.154 0.000 1.237 278 I HN 0.043 nan 8.210 nan 0.000 0.443 279 K N 3.461 123.954 120.400 0.155 0.000 2.543 279 K HA 0.576 4.891 4.320 -0.009 0.000 0.255 279 K C -2.979 173.721 176.600 0.168 0.000 0.934 279 K CA -1.578 54.785 56.287 0.127 0.000 0.810 279 K CB 2.830 35.381 32.500 0.085 0.000 1.315 279 K HN 0.431 nan 8.250 nan 0.000 0.433 280 P HA 0.255 nan 4.420 nan 0.000 0.286 280 P C 0.176 177.544 177.300 0.113 0.000 1.293 280 P CA 0.492 63.664 63.100 0.120 0.000 0.770 280 P CB 0.399 32.177 31.700 0.131 0.000 1.206 281 G N -0.481 108.391 108.800 0.120 0.000 2.725 281 G HA2 -0.157 3.797 3.960 -0.009 0.000 0.220 281 G HA3 -0.157 3.797 3.960 -0.009 0.000 0.220 281 G C 0.021 174.993 174.900 0.119 0.000 1.357 281 G CA 0.676 45.849 45.100 0.122 0.000 0.866 281 G HN 0.913 nan 8.290 nan 0.000 0.548 282 K N -2.138 118.344 120.400 0.138 0.000 2.387 282 K HA 0.071 4.385 4.320 -0.009 0.000 0.166 282 K C -2.530 174.193 176.600 0.205 0.000 2.438 282 K CA 0.685 57.060 56.287 0.146 0.000 1.319 282 K CB -0.357 32.219 32.500 0.128 0.000 2.710 282 K HN 0.666 nan 8.250 nan 0.000 0.450 283 P HA 0.283 nan 4.420 nan 0.000 0.277 283 P C -1.190 176.343 177.300 0.388 0.000 1.240 283 P CA 0.157 63.426 63.100 0.283 0.000 0.798 283 P CB 0.622 32.457 31.700 0.224 0.000 0.979 284 F N 1.068 121.146 119.950 0.213 0.000 2.670 284 F HA 0.518 5.039 4.527 -0.010 0.000 0.332 284 F C -1.625 174.219 175.800 0.073 0.000 1.179 284 F CA -0.609 57.485 58.000 0.156 0.000 1.076 284 F CB 1.068 40.181 39.000 0.189 0.000 1.322 284 F HN 0.443 nan 8.300 nan 0.000 0.515 285 A N 5.881 128.346 122.820 -0.592 0.000 2.290 285 A HA 0.776 5.090 4.320 -0.009 0.000 0.310 285 A C -1.837 175.190 177.584 -0.928 0.000 1.202 285 A CA -0.379 51.277 52.037 -0.635 0.000 0.837 285 A CB 0.486 19.356 19.000 -0.216 0.000 1.139 285 A HN 0.850 nan 8.150 nan 0.000 0.509 286 F N 1.690 121.065 119.950 -0.957 0.000 2.608 286 F HA 0.696 5.217 4.527 -0.010 0.000 0.309 286 F C 0.066 175.616 175.800 -0.417 0.000 1.103 286 F CA 0.598 58.178 58.000 -0.700 0.000 0.954 286 F CB 1.895 40.449 39.000 -0.743 0.000 1.267 286 F HN 1.109 nan 8.300 nan 0.000 0.444 287 G N 3.976 112.159 108.800 -1.030 0.000 2.349 287 G HA2 0.261 4.215 3.960 -0.009 0.000 0.294 287 G HA3 0.261 4.215 3.960 -0.009 0.000 0.294 287 G C -2.344 172.332 174.900 -0.373 0.000 1.380 287 G CA -1.084 43.677 45.100 -0.564 0.000 0.811 287 G HN 0.599 nan 8.290 nan 0.000 0.519 288 K N 0.721 120.951 120.400 -0.284 0.000 2.234 288 K HA 0.539 4.854 4.320 -0.009 0.000 0.277 288 K C 0.173 176.567 176.600 -0.344 0.000 1.038 288 K CA -0.400 55.596 56.287 -0.484 0.000 0.888 288 K CB 1.036 33.172 32.500 -0.608 0.000 1.091 288 K HN 0.380 nan 8.250 nan 0.000 0.467 289 L N 0.946 121.986 121.223 -0.306 0.000 2.744 289 L HA 0.164 4.499 4.340 -0.009 0.000 0.218 289 L C 1.894 178.632 176.870 -0.221 0.000 1.190 289 L CA -0.250 54.462 54.840 -0.214 0.000 0.869 289 L CB 0.540 42.537 42.059 -0.104 0.000 1.652 289 L HN 0.668 nan 8.230 nan 0.000 0.519 290 S N -0.014 115.594 115.700 -0.153 0.000 2.348 290 S HA -0.079 4.386 4.470 -0.009 0.000 0.221 290 S C 0.922 175.433 174.600 -0.149 0.000 1.033 290 S CA 1.260 59.379 58.200 -0.135 0.000 1.010 290 S CB -0.130 63.017 63.200 -0.087 0.000 0.891 290 S HN 0.562 nan 8.310 nan 0.000 0.442 291 N N 0.818 119.443 118.700 -0.125 0.000 2.365 291 N HA 0.211 4.945 4.740 -0.009 0.000 0.257 291 N C -0.752 174.678 175.510 -0.134 0.000 1.287 291 N CA 0.116 53.094 53.050 -0.121 0.000 0.882 291 N CB 1.159 39.609 38.487 -0.062 0.000 1.250 291 N HN 0.415 nan 8.380 nan 0.000 0.507 292 S N -1.175 114.403 115.700 -0.203 0.000 2.636 292 S HA 0.527 4.992 4.470 -0.009 0.000 0.268 292 S C -1.826 172.605 174.600 -0.281 0.000 1.159 292 S CA -0.954 57.148 58.200 -0.165 0.000 0.815 292 S CB 1.290 64.495 63.200 0.009 0.000 1.130 292 S HN 0.178 nan 8.310 nan 0.000 0.471 293 W N 0.853 122.142 121.300 -0.019 0.000 2.438 293 W HA 0.707 5.361 4.660 -0.010 0.000 0.324 293 W C -0.533 175.952 176.519 -0.057 0.000 1.119 293 W CA -0.545 56.736 57.345 -0.108 0.000 1.221 293 W CB 1.252 30.675 29.460 -0.060 0.000 1.253 293 W HN 0.631 nan 8.180 nan 0.000 0.555 294 F N 3.130 123.033 119.950 -0.079 0.000 2.495 294 F HA 0.665 5.186 4.527 -0.009 0.000 0.327 294 F C -0.834 174.864 175.800 -0.170 0.000 1.103 294 F CA -1.227 56.714 58.000 -0.097 0.000 0.949 294 F CB 0.823 39.756 39.000 -0.113 0.000 1.142 294 F HN 0.189 nan 8.300 nan 0.000 0.457 295 C N 4.432 123.097 119.300 -1.059 0.000 2.381 295 C HA 0.750 5.204 4.460 -0.009 0.000 0.328 295 C C 0.319 174.532 174.990 -1.295 0.000 1.190 295 C CA -0.930 57.564 59.018 -0.873 0.000 1.369 295 C CB 0.512 28.164 27.740 -0.147 0.000 2.029 295 C HN 1.084 nan 8.230 nan 0.000 0.448 296 G N 3.543 111.634 108.800 -1.181 0.000 2.368 296 G HA2 0.670 4.624 3.960 -0.009 0.000 0.320 296 G HA3 0.670 4.624 3.960 -0.009 0.000 0.320 296 G C -0.847 173.923 174.900 -0.216 0.000 1.158 296 G CA -0.295 44.476 45.100 -0.547 0.000 0.912 296 G HN 0.686 nan 8.290 nan 0.000 0.456 297 L N 3.293 124.507 121.223 -0.015 0.000 2.334 297 L HA 0.511 4.845 4.340 -0.009 0.000 0.272 297 L C -1.809 175.146 176.870 0.143 0.000 1.020 297 L CA -2.231 52.699 54.840 0.149 0.000 0.812 297 L CB 2.378 44.531 42.059 0.157 0.000 1.264 297 L HN 0.327 nan 8.230 nan 0.000 0.439 298 P HA 0.034 nan 4.420 nan 0.000 0.272 298 P C 0.396 177.771 177.300 0.126 0.000 1.230 298 P CA -0.206 62.986 63.100 0.153 0.000 0.788 298 P CB 0.805 32.605 31.700 0.167 0.000 0.949 299 G N 1.254 110.120 108.800 0.110 0.000 2.464 299 G HA2 -0.159 3.796 3.960 -0.009 0.000 0.217 299 G HA3 -0.159 3.796 3.960 -0.009 0.000 0.217 299 G C 0.721 175.682 174.900 0.102 0.000 1.138 299 G CA 0.116 45.273 45.100 0.094 0.000 0.793 299 G HN 0.615 nan 8.290 nan 0.000 0.539 300 N N 1.160 119.932 118.700 0.121 0.000 2.434 300 N HA 0.170 4.905 4.740 -0.009 0.000 0.268 300 N C -1.206 174.405 175.510 0.168 0.000 1.256 300 N CA -1.133 52.001 53.050 0.140 0.000 0.914 300 N CB 1.369 39.946 38.487 0.151 0.000 1.088 300 N HN -0.123 nan 8.380 nan 0.000 0.478 301 P HA -0.270 nan 4.420 nan 0.000 0.216 301 P C 1.233 178.758 177.300 0.375 0.000 1.167 301 P CA 1.079 64.307 63.100 0.212 0.000 0.914 301 P CB 0.156 31.956 31.700 0.168 0.000 0.793 302 V N -0.387 119.791 119.914 0.440 0.000 2.287 302 V HA -0.261 3.854 4.120 -0.009 0.000 0.248 302 V C 2.391 178.684 176.094 0.331 0.000 1.053 302 V CA 2.557 65.136 62.300 0.465 0.000 1.027 302 V CB -1.484 30.544 31.823 0.341 0.000 0.646 302 V HN 0.167 nan 8.190 nan 0.000 0.447 303 S N 0.092 115.937 115.700 0.242 0.000 2.368 303 S HA -0.155 4.309 4.470 -0.009 0.000 0.225 303 S C 2.192 176.899 174.600 0.179 0.000 1.030 303 S CA 1.367 59.679 58.200 0.186 0.000 0.999 303 S CB -0.506 62.793 63.200 0.164 0.000 0.844 303 S HN 0.658 nan 8.310 nan 0.000 0.459 304 A N 1.585 124.518 122.820 0.189 0.000 1.858 304 A HA -0.109 4.205 4.320 -0.009 0.000 0.216 304 A C 2.367 180.070 177.584 0.199 0.000 1.190 304 A CA 2.056 54.201 52.037 0.180 0.000 0.617 304 A CB -1.455 17.631 19.000 0.144 0.000 0.827 304 A HN 0.465 nan 8.150 nan 0.000 0.443 305 T N 0.594 115.263 114.554 0.192 0.000 2.652 305 T HA -0.146 4.199 4.350 -0.009 0.000 0.267 305 T C 1.880 176.721 174.700 0.235 0.000 1.039 305 T CA 1.375 63.581 62.100 0.176 0.000 1.153 305 T CB -0.397 68.475 68.868 0.007 0.000 0.863 305 T HN 0.297 nan 8.240 nan 0.000 0.428 306 L N 1.234 122.569 121.223 0.188 0.000 2.012 306 L HA -0.136 4.199 4.340 -0.009 0.000 0.210 306 L C 2.317 179.189 176.870 0.003 0.000 1.073 306 L CA 2.093 56.989 54.840 0.094 0.000 0.748 306 L CB -1.629 40.458 42.059 0.047 0.000 0.891 306 L HN 0.302 nan 8.230 nan 0.000 0.431 307 T N 0.003 114.574 114.554 0.028 0.000 2.746 307 T HA -0.233 4.111 4.350 -0.009 0.000 0.267 307 T C 1.624 176.282 174.700 -0.069 0.000 1.039 307 T CA 1.714 63.772 62.100 -0.070 0.000 1.142 307 T CB -0.549 68.333 68.868 0.023 0.000 0.866 307 T HN 0.448 nan 8.240 nan 0.000 0.444 308 F N 0.698 120.642 119.950 -0.010 0.000 2.102 308 F HA -0.149 4.373 4.527 -0.010 0.000 0.298 308 F C 2.174 177.961 175.800 -0.022 0.000 1.105 308 F CA 1.085 59.083 58.000 -0.003 0.000 1.239 308 F CB -0.470 38.550 39.000 0.033 0.000 0.991 308 F HN 0.157 nan 8.300 nan 0.000 0.474 309 Y N 0.720 121.055 120.300 0.059 0.000 2.181 309 Y HA -0.225 4.319 4.550 -0.009 0.000 0.288 309 Y C 2.278 178.058 175.900 -0.200 0.000 1.146 309 Y CA 1.879 59.975 58.100 -0.008 0.000 1.164 309 Y CB -0.185 38.386 38.460 0.185 0.000 0.982 309 Y HN 0.116 nan 8.280 nan 0.000 0.515 310 Q N -0.808 118.942 119.800 -0.084 0.000 2.402 310 Q HA 0.120 4.455 4.340 -0.009 0.000 0.206 310 Q C 1.707 177.522 176.000 -0.308 0.000 0.919 310 Q CA 0.715 56.378 55.803 -0.232 0.000 0.923 310 Q CB 0.832 29.289 28.738 -0.468 0.000 1.048 310 Q HN 0.536 nan 8.270 nan 0.000 0.515 311 L N -1.674 119.314 121.223 -0.393 0.000 2.638 311 L HA 0.086 4.420 4.340 -0.009 0.000 0.195 311 L C 2.007 178.620 176.870 -0.429 0.000 1.065 311 L CA 0.205 54.772 54.840 -0.456 0.000 0.859 311 L CB -0.043 41.578 42.059 -0.731 0.000 1.269 311 L HN -0.158 nan 8.230 nan 0.000 0.484 312 V N 0.313 119.934 119.914 -0.488 0.000 2.358 312 V HA -0.298 3.817 4.120 -0.009 0.000 0.246 312 V C 2.354 178.098 176.094 -0.584 0.000 1.047 312 V CA 2.040 64.055 62.300 -0.475 0.000 1.035 312 V CB -0.499 30.991 31.823 -0.556 0.000 0.658 312 V HN 0.490 nan 8.190 nan 0.000 0.452 313 Q N 0.364 119.682 119.800 -0.802 0.000 2.045 313 Q HA -0.221 4.113 4.340 -0.009 0.000 0.206 313 Q C -0.083 175.707 176.000 -0.350 0.000 0.991 313 Q CA 2.760 58.213 55.803 -0.582 0.000 0.851 313 Q CB -1.037 27.345 28.738 -0.594 0.000 0.911 313 Q HN 0.494 nan 8.270 nan 0.000 0.418 314 P HA -0.150 nan 4.420 nan 0.000 0.217 314 P C 1.301 178.481 177.300 -0.200 0.000 1.150 314 P CA 0.923 63.889 63.100 -0.224 0.000 0.832 314 P CB -0.162 31.412 31.700 -0.210 0.000 0.787 315 L N -0.836 120.252 121.223 -0.224 0.000 2.017 315 L HA -0.144 4.190 4.340 -0.009 0.000 0.208 315 L C 2.159 178.943 176.870 -0.144 0.000 1.073 315 L CA 1.845 56.570 54.840 -0.191 0.000 0.745 315 L CB -1.380 40.574 42.059 -0.174 0.000 0.894 315 L HN -0.147 nan 8.230 nan 0.000 0.432 316 L N -0.397 120.742 121.223 -0.140 0.000 2.083 316 L HA -0.178 4.157 4.340 -0.009 0.000 0.209 316 L C 2.733 179.556 176.870 -0.077 0.000 1.083 316 L CA 1.120 55.908 54.840 -0.086 0.000 0.752 316 L CB -0.991 41.018 42.059 -0.084 0.000 0.899 316 L HN 0.428 nan 8.230 nan 0.000 0.433 317 A N 0.293 123.050 122.820 -0.104 0.000 1.877 317 A HA -0.274 4.040 4.320 -0.009 0.000 0.216 317 A C 2.397 179.939 177.584 -0.069 0.000 1.186 317 A CA 2.134 54.120 52.037 -0.086 0.000 0.620 317 A CB -0.450 18.489 19.000 -0.102 0.000 0.822 317 A HN 0.351 nan 8.150 nan 0.000 0.443 318 K N -0.480 119.871 120.400 -0.080 0.000 2.097 318 K HA 0.017 4.331 4.320 -0.009 0.000 0.205 318 K C 1.905 178.482 176.600 -0.039 0.000 1.050 318 K CA 1.047 57.295 56.287 -0.064 0.000 0.938 318 K CB -0.269 32.179 32.500 -0.086 0.000 0.718 318 K HN 0.437 nan 8.250 nan 0.000 0.442 319 L N 1.196 122.396 121.223 -0.039 0.000 2.083 319 L HA -0.174 4.160 4.340 -0.009 0.000 0.209 319 L C 2.450 179.328 176.870 0.013 0.000 1.083 319 L CA 1.773 56.615 54.840 0.004 0.000 0.752 319 L CB -0.484 41.586 42.059 0.019 0.000 0.899 319 L HN 0.436 nan 8.230 nan 0.000 0.433 320 S N -0.995 114.702 115.700 -0.006 0.000 2.442 320 S HA -0.067 4.397 4.470 -0.009 0.000 0.236 320 S C 1.555 176.151 174.600 -0.005 0.000 1.007 320 S CA 0.988 59.185 58.200 -0.005 0.000 0.965 320 S CB 0.094 63.283 63.200 -0.018 0.000 0.773 320 S HN 0.613 nan 8.310 nan 0.000 0.504 321 G N 0.954 109.749 108.800 -0.009 0.000 2.179 321 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.220 321 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.220 321 G C -0.100 174.790 174.900 -0.017 0.000 0.990 321 G CA -0.051 45.045 45.100 -0.006 0.000 0.646 321 G HN 0.663 nan 8.290 nan 0.000 0.517 322 N N 1.516 120.199 118.700 -0.028 0.000 2.447 322 N HA 0.295 5.029 4.740 -0.009 0.000 0.263 322 N C 1.629 177.120 175.510 -0.031 0.000 1.226 322 N CA 1.064 54.092 53.050 -0.036 0.000 0.906 322 N CB 1.027 39.486 38.487 -0.047 0.000 1.060 322 N HN 0.464 nan 8.380 nan 0.000 0.468 323 T N 0.093 114.632 114.554 -0.026 0.000 3.086 323 T HA 0.285 4.629 4.350 -0.009 0.000 0.250 323 T C 0.708 175.395 174.700 -0.022 0.000 1.074 323 T CA -0.344 61.744 62.100 -0.020 0.000 0.988 323 T CB -0.055 68.807 68.868 -0.010 0.000 0.988 323 T HN 0.510 nan 8.240 nan 0.000 0.530 324 A N 2.625 125.428 122.820 -0.028 0.000 2.496 324 A HA 0.495 4.810 4.320 -0.009 0.000 0.278 324 A C 0.806 178.373 177.584 -0.028 0.000 1.137 324 A CA -0.584 51.437 52.037 -0.027 0.000 0.805 324 A CB -0.522 18.458 19.000 -0.033 0.000 1.077 324 A HN 0.619 nan 8.150 nan 0.000 0.513 325 S N 2.006 117.692 115.700 -0.023 0.000 2.592 325 S HA 0.756 5.221 4.470 -0.009 0.000 0.271 325 S C 0.583 175.169 174.600 -0.023 0.000 1.326 325 S CA -0.034 58.151 58.200 -0.025 0.000 1.024 325 S CB 1.138 64.325 63.200 -0.021 0.000 0.921 325 S HN 2.397 nan 8.310 nan 0.000 0.527 326 G N 0.255 109.039 108.800 -0.027 0.000 2.497 326 G HA2 0.211 4.165 3.960 -0.009 0.000 0.686 326 G HA3 0.211 4.165 3.960 -0.009 0.000 0.686 326 G C -1.713 173.174 174.900 -0.022 0.000 1.288 326 G CA -0.941 44.147 45.100 -0.020 0.000 0.899 326 G HN 0.674 nan 8.290 nan 0.000 0.608 327 L N 0.995 122.213 121.223 -0.009 0.000 2.303 327 L HA 0.786 5.120 4.340 -0.009 0.000 0.266 327 L C -1.466 175.424 176.870 0.033 0.000 1.011 327 L CA -1.925 52.915 54.840 0.000 0.000 0.818 327 L CB 0.631 42.694 42.059 0.007 0.000 1.326 327 L HN 0.621 nan 8.230 nan 0.000 0.435 328 P HA 0.003 nan 4.420 nan 0.000 0.270 328 P C -0.917 176.447 177.300 0.108 0.000 1.167 328 P CA 0.064 63.230 63.100 0.110 0.000 0.759 328 P CB 0.163 31.985 31.700 0.203 0.000 0.777 329 A N 3.890 126.772 122.820 0.104 0.000 2.488 329 A HA 0.282 4.596 4.320 -0.009 0.000 0.249 329 A C 0.459 178.102 177.584 0.098 0.000 1.083 329 A CA 0.039 52.125 52.037 0.082 0.000 0.768 329 A CB 0.054 19.096 19.000 0.069 0.000 1.017 329 A HN 0.457 nan 8.150 nan 0.000 0.496 330 R N 1.205 121.746 120.500 0.070 0.000 2.803 330 R HA 0.563 4.898 4.340 -0.009 0.000 0.276 330 R C -1.035 175.284 176.300 0.033 0.000 0.978 330 R CA -0.618 55.522 56.100 0.066 0.000 0.939 330 R CB 2.098 32.433 30.300 0.059 0.000 1.179 330 R HN 0.945 nan 8.270 nan 0.000 0.472 331 Q N 1.017 120.835 119.800 0.029 0.000 2.377 331 Q HA 0.411 4.745 4.340 -0.009 0.000 0.279 331 Q C -1.052 174.952 176.000 0.006 0.000 1.049 331 Q CA -1.122 54.685 55.803 0.006 0.000 0.825 331 Q CB 2.547 31.294 28.738 0.014 0.000 1.401 331 Q HN 0.393 nan 8.270 nan 0.000 0.404 332 R N 1.442 121.921 120.500 -0.035 0.000 2.347 332 R HA 0.509 4.843 4.340 -0.009 0.000 0.304 332 R C -1.342 175.016 176.300 0.098 0.000 1.072 332 R CA -0.071 56.008 56.100 -0.035 0.000 0.980 332 R CB 0.687 30.838 30.300 -0.249 0.000 0.986 332 R HN 0.535 nan 8.270 nan 0.000 0.448 333 V N 4.603 124.671 119.914 0.257 0.000 3.114 333 V HA 0.434 4.548 4.120 -0.009 0.000 0.308 333 V C -0.487 175.809 176.094 0.338 0.000 1.168 333 V CA -0.986 61.509 62.300 0.324 0.000 1.015 333 V CB 2.478 34.384 31.823 0.138 0.000 1.050 333 V HN 0.814 nan 8.190 nan 0.000 0.433 334 R N 1.011 121.596 120.500 0.141 0.000 2.349 334 R HA 0.552 4.886 4.340 -0.009 0.000 0.299 334 R C -0.543 175.709 176.300 -0.079 0.000 1.027 334 R CA -0.439 55.584 56.100 -0.127 0.000 0.958 334 R CB 1.356 31.416 30.300 -0.401 0.000 1.047 334 R HN 0.751 nan 8.270 nan 0.000 0.468 335 T N 1.578 116.077 114.554 -0.091 0.000 2.832 335 T HA 0.170 4.514 4.350 -0.009 0.000 0.296 335 T C 0.919 175.567 174.700 -0.087 0.000 0.968 335 T CA -0.434 61.623 62.100 -0.071 0.000 1.107 335 T CB 1.567 70.398 68.868 -0.062 0.000 0.916 335 T HN 0.704 nan 8.240 nan 0.000 0.517 336 A N 2.702 125.480 122.820 -0.071 0.000 2.345 336 A HA 0.494 4.808 4.320 -0.009 0.000 0.225 336 A C 0.967 178.514 177.584 -0.061 0.000 1.243 336 A CA -0.270 51.725 52.037 -0.068 0.000 0.875 336 A CB 0.246 19.211 19.000 -0.058 0.000 0.929 336 A HN 0.597 nan 8.150 nan 0.000 0.502 337 S N -0.505 115.159 115.700 -0.060 0.000 2.541 337 S HA 0.460 4.924 4.470 -0.009 0.000 0.280 337 S C -0.322 174.245 174.600 -0.054 0.000 1.112 337 S CA -0.714 57.453 58.200 -0.055 0.000 0.925 337 S CB 1.551 64.719 63.200 -0.054 0.000 1.067 337 S HN 0.532 nan 8.310 nan 0.000 0.479 338 R N 2.800 123.271 120.500 -0.050 0.000 2.340 338 R HA 0.415 4.749 4.340 -0.009 0.000 0.300 338 R C -1.335 174.936 176.300 -0.048 0.000 1.069 338 R CA -0.122 55.950 56.100 -0.047 0.000 0.984 338 R CB 0.110 30.385 30.300 -0.042 0.000 1.003 338 R HN 0.559 nan 8.270 nan 0.000 0.459 339 L N 4.878 126.073 121.223 -0.047 0.000 2.305 339 L HA 0.420 4.755 4.340 -0.009 0.000 0.284 339 L C -0.099 176.743 176.870 -0.047 0.000 1.013 339 L CA -0.780 54.030 54.840 -0.050 0.000 0.819 339 L CB 1.813 43.844 42.059 -0.048 0.000 1.227 339 L HN 0.446 nan 8.230 nan 0.000 0.417 340 K N 3.342 123.710 120.400 -0.054 0.000 2.363 340 K HA 0.224 4.538 4.320 -0.009 0.000 0.289 340 K C -0.381 176.192 176.600 -0.045 0.000 1.063 340 K CA -0.048 56.209 56.287 -0.049 0.000 0.967 340 K CB 0.473 32.937 32.500 -0.062 0.000 0.987 340 K HN 0.254 nan 8.250 nan 0.000 0.473 341 K N 1.628 122.007 120.400 -0.035 0.000 2.422 341 K HA 0.342 4.656 4.320 -0.009 0.000 0.251 341 K C -1.306 175.280 176.600 -0.023 0.000 0.933 341 K CA -0.435 55.833 56.287 -0.031 0.000 0.798 341 K CB 1.891 34.370 32.500 -0.035 0.000 1.238 341 K HN 0.272 nan 8.250 nan 0.000 0.428 342 T N 5.772 120.315 114.554 -0.017 0.000 2.792 342 T HA 0.477 4.822 4.350 -0.009 0.000 0.280 342 T C -2.645 172.049 174.700 -0.011 0.000 0.990 342 T CA -1.508 60.586 62.100 -0.010 0.000 0.960 342 T CB 1.555 70.421 68.868 -0.002 0.000 0.939 342 T HN 0.464 nan 8.240 nan 0.000 0.439 343 P HA 0.349 nan 4.420 nan 0.000 0.269 343 P C 1.038 178.335 177.300 -0.005 0.000 1.209 343 P CA 0.681 63.775 63.100 -0.011 0.000 0.776 343 P CB 0.559 32.253 31.700 -0.009 0.000 0.876 344 G N 1.765 110.561 108.800 -0.007 0.000 2.491 344 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.203 344 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.203 344 G C -0.013 174.888 174.900 0.003 0.000 1.052 344 G CA -0.486 44.614 45.100 -0.000 0.000 0.675 344 G HN 0.555 nan 8.290 nan 0.000 0.504 345 R N -0.092 120.410 120.500 0.003 0.000 2.670 345 R HA 0.596 4.930 4.340 -0.009 0.000 0.289 345 R C -0.996 175.299 176.300 -0.009 0.000 0.965 345 R CA -0.968 55.139 56.100 0.012 0.000 0.899 345 R CB 2.347 32.666 30.300 0.032 0.000 1.173 345 R HN 0.244 nan 8.270 nan 0.000 0.456 346 L N 3.074 124.293 121.223 -0.008 0.000 2.433 346 L HA 0.100 4.434 4.340 -0.009 0.000 0.284 346 L C -0.423 176.399 176.870 -0.079 0.000 1.120 346 L CA 0.263 55.056 54.840 -0.078 0.000 0.879 346 L CB -0.111 41.910 42.059 -0.062 0.000 1.232 346 L HN 0.392 nan 8.230 nan 0.000 0.454 347 D N 4.695 125.020 120.400 -0.125 0.000 2.339 347 D HA 0.086 4.720 4.640 -0.009 0.000 0.241 347 D C -0.679 175.534 176.300 -0.144 0.000 1.183 347 D CA -0.021 53.942 54.000 -0.062 0.000 0.859 347 D CB 0.158 40.935 40.800 -0.038 0.000 1.067 347 D HN 0.326 nan 8.370 nan 0.000 0.484 348 F N 3.475 123.388 119.950 -0.062 0.000 2.541 348 F HA 0.161 4.683 4.527 -0.010 0.000 0.351 348 F C 1.304 177.131 175.800 0.046 0.000 1.209 348 F CA -0.448 57.498 58.000 -0.090 0.000 1.277 348 F CB 0.117 38.907 39.000 -0.350 0.000 1.632 348 F HN 0.107 nan 8.300 nan 0.000 0.619 349 Q N 1.493 121.384 119.800 0.152 0.000 2.382 349 Q HA 0.405 4.740 4.340 -0.009 0.000 0.229 349 Q C -0.035 176.067 176.000 0.170 0.000 1.006 349 Q CA -0.611 55.254 55.803 0.104 0.000 0.916 349 Q CB 1.074 29.817 28.738 0.009 0.000 1.235 349 Q HN 0.419 nan 8.270 nan 0.000 0.512 350 R N -0.151 120.354 120.500 0.008 0.000 2.346 350 R HA 0.578 4.913 4.340 -0.009 0.000 0.311 350 R C -0.191 176.013 176.300 -0.161 0.000 0.983 350 R CA -0.044 55.990 56.100 -0.109 0.000 0.880 350 R CB 1.584 31.720 30.300 -0.272 0.000 1.100 350 R HN 0.733 nan 8.270 nan 0.000 0.453 351 G N 0.287 108.949 108.800 -0.230 0.000 3.015 351 G HA2 0.570 4.524 3.960 -0.009 0.000 0.281 351 G HA3 0.570 4.524 3.960 -0.009 0.000 0.281 351 G C -1.467 173.279 174.900 -0.257 0.000 1.386 351 G CA -0.548 44.434 45.100 -0.198 0.000 0.959 351 G HN 0.346 nan 8.290 nan 0.000 0.522 352 V N 0.716 120.523 119.914 -0.179 0.000 2.380 352 V HA 0.348 4.462 4.120 -0.009 0.000 0.286 352 V C -0.661 175.359 176.094 -0.122 0.000 1.015 352 V CA -0.506 61.696 62.300 -0.163 0.000 0.834 352 V CB 1.141 32.894 31.823 -0.117 0.000 1.009 352 V HN 0.605 nan 8.190 nan 0.000 0.428 353 L N 6.604 127.749 121.223 -0.130 0.000 2.278 353 L HA 0.578 4.913 4.340 -0.009 0.000 0.287 353 L C 0.102 176.937 176.870 -0.059 0.000 1.072 353 L CA 0.743 55.534 54.840 -0.083 0.000 0.819 353 L CB 0.745 42.755 42.059 -0.081 0.000 1.176 353 L HN 0.854 nan 8.230 nan 0.000 0.435 354 Q N 4.631 124.406 119.800 -0.041 0.000 2.501 354 Q HA 0.518 4.852 4.340 -0.009 0.000 0.288 354 Q C -1.194 174.795 176.000 -0.017 0.000 1.051 354 Q CA -1.125 54.661 55.803 -0.029 0.000 0.788 354 Q CB 1.513 30.232 28.738 -0.032 0.000 1.469 354 Q HN 0.520 nan 8.270 nan 0.000 0.416 355 R N 1.534 122.027 120.500 -0.011 0.000 2.340 355 R HA 0.201 4.535 4.340 -0.009 0.000 0.300 355 R C -0.047 176.247 176.300 -0.009 0.000 1.069 355 R CA -0.080 56.017 56.100 -0.005 0.000 0.984 355 R CB 0.444 30.743 30.300 -0.002 0.000 1.003 355 R HN 0.733 nan 8.270 nan 0.000 0.459 356 N N 1.648 120.343 118.700 -0.009 0.000 2.431 356 N HA 0.156 4.890 4.740 -0.009 0.000 0.289 356 N C 0.810 176.314 175.510 -0.010 0.000 1.277 356 N CA -0.132 52.910 53.050 -0.014 0.000 0.972 356 N CB 0.177 38.653 38.487 -0.019 0.000 1.143 356 N HN 0.394 nan 8.380 nan 0.000 0.578 357 A N -0.587 122.225 122.820 -0.012 0.000 1.883 357 A HA -0.178 4.136 4.320 -0.009 0.000 0.217 357 A C 1.015 178.595 177.584 -0.006 0.000 1.186 357 A CA 1.913 53.944 52.037 -0.010 0.000 0.624 357 A CB -1.097 17.896 19.000 -0.012 0.000 0.822 357 A HN 0.747 nan 8.150 nan 0.000 0.444 358 D N -0.498 119.898 120.400 -0.007 0.000 2.355 358 D HA 0.318 4.952 4.640 -0.009 0.000 0.253 358 D C 1.282 177.584 176.300 0.003 0.000 1.187 358 D CA 1.033 55.032 54.000 -0.002 0.000 0.900 358 D CB -0.691 40.107 40.800 -0.003 0.000 0.915 358 D HN 0.601 nan 8.370 nan 0.000 0.516 359 G N 0.757 109.558 108.800 0.002 0.000 2.233 359 G HA2 -0.346 3.609 3.960 -0.009 0.000 0.270 359 G HA3 -0.346 3.609 3.960 -0.009 0.000 0.270 359 G C 0.053 174.959 174.900 0.011 0.000 1.011 359 G CA 0.237 45.340 45.100 0.005 0.000 0.762 359 G HN 0.424 nan 8.290 nan 0.000 0.511 360 E N -1.044 119.163 120.200 0.011 0.000 2.222 360 E HA 0.641 4.986 4.350 -0.009 0.000 0.272 360 E C -0.150 176.460 176.600 0.017 0.000 0.982 360 E CA -1.202 55.211 56.400 0.021 0.000 0.842 360 E CB 1.586 31.301 29.700 0.025 0.000 1.144 360 E HN 0.056 nan 8.360 nan 0.000 0.397 361 L N 2.402 123.644 121.223 0.031 0.000 2.371 361 L HA 0.234 4.568 4.340 -0.009 0.000 0.272 361 L C -0.354 176.531 176.870 0.025 0.000 1.124 361 L CA 0.411 55.266 54.840 0.025 0.000 0.816 361 L CB 0.318 42.399 42.059 0.035 0.000 1.129 361 L HN 0.667 nan 8.230 nan 0.000 0.448 362 E N 2.211 122.413 120.200 0.003 0.000 2.400 362 E HA 0.532 4.876 4.350 -0.009 0.000 0.285 362 E C -1.579 175.004 176.600 -0.029 0.000 1.005 362 E CA -1.036 55.358 56.400 -0.010 0.000 0.816 362 E CB 1.065 30.747 29.700 -0.030 0.000 1.220 362 E HN 0.222 nan 8.360 nan 0.000 0.426 363 V N 0.071 119.966 119.914 -0.032 0.000 2.539 363 V HA 0.714 4.829 4.120 -0.009 0.000 0.292 363 V C -0.205 175.854 176.094 -0.059 0.000 1.045 363 V CA -0.354 61.916 62.300 -0.052 0.000 0.945 363 V CB 1.311 33.105 31.823 -0.048 0.000 0.993 363 V HN 0.765 nan 8.190 nan 0.000 0.464 364 T N 2.371 116.883 114.554 -0.070 0.000 2.861 364 T HA 0.417 4.761 4.350 -0.009 0.000 0.287 364 T C 0.067 174.720 174.700 -0.078 0.000 1.003 364 T CA -0.210 61.850 62.100 -0.067 0.000 0.977 364 T CB 1.577 70.408 68.868 -0.061 0.000 0.996 364 T HN 1.095 nan 8.240 nan 0.000 0.448 365 T N 1.155 115.666 114.554 -0.072 0.000 2.903 365 T HA 0.095 4.440 4.350 -0.009 0.000 0.314 365 T C 1.696 176.346 174.700 -0.084 0.000 1.078 365 T CA 0.410 62.463 62.100 -0.079 0.000 1.114 365 T CB 0.347 69.173 68.868 -0.070 0.000 0.987 365 T HN 0.779 nan 8.240 nan 0.000 0.548 366 T N 1.111 115.605 114.554 -0.101 0.000 3.085 366 T HA 0.469 4.813 4.350 -0.009 0.000 0.263 366 T C 1.254 175.913 174.700 -0.068 0.000 1.127 366 T CA 0.465 62.505 62.100 -0.100 0.000 1.103 366 T CB -0.418 68.366 68.868 -0.141 0.000 0.921 366 T HN 1.329 nan 8.240 nan 0.000 0.510 367 G N 0.635 109.400 108.800 -0.057 0.000 2.255 367 G HA2 -0.012 3.942 3.960 -0.009 0.000 0.216 367 G HA3 -0.012 3.942 3.960 -0.009 0.000 0.216 367 G C -0.891 174.001 174.900 -0.013 0.000 1.307 367 G CA -0.591 44.498 45.100 -0.019 0.000 1.162 367 G HN 0.660 nan 8.290 nan 0.000 0.494 368 H N 1.580 120.639 119.070 -0.020 0.000 3.070 368 H HA 0.372 4.922 4.556 -0.009 0.000 0.313 368 H C 1.447 176.764 175.328 -0.018 0.000 0.997 368 H CA 0.824 56.878 56.048 0.011 0.000 1.438 368 H CB 0.865 30.669 29.762 0.070 0.000 1.455 368 H HN 0.351 nan 8.280 nan 0.000 0.575 369 Q N 3.758 123.418 119.800 -0.234 0.000 2.320 369 Q HA 0.132 4.467 4.340 -0.009 0.000 0.201 369 Q C 0.853 176.881 176.000 0.046 0.000 0.910 369 Q CA 0.404 56.151 55.803 -0.093 0.000 0.946 369 Q CB 0.429 29.098 28.738 -0.115 0.000 1.062 369 Q HN 0.809 nan 8.270 nan 0.000 0.503 370 G N 1.175 110.171 108.800 0.326 0.000 2.554 370 G HA2 0.110 4.064 3.960 -0.009 0.000 0.238 370 G HA3 0.110 4.064 3.960 -0.009 0.000 0.238 370 G C 0.736 175.800 174.900 0.272 0.000 1.259 370 G CA 0.056 45.442 45.100 0.476 0.000 0.843 370 G HN 0.275 nan 8.290 nan 0.000 0.582 371 S N 0.103 115.960 115.700 0.262 0.000 2.701 371 S HA -0.045 4.419 4.470 -0.009 0.000 0.220 371 S C 1.438 176.154 174.600 0.193 0.000 0.954 371 S CA 0.593 58.904 58.200 0.184 0.000 0.936 371 S CB -0.354 62.955 63.200 0.183 0.000 0.777 371 S HN 0.850 nan 8.310 nan 0.000 0.518 372 H N 1.403 120.545 119.070 0.119 0.000 2.548 372 H HA 0.374 4.924 4.556 -0.009 0.000 0.265 372 H C 0.568 175.961 175.328 0.108 0.000 0.969 372 H CA -0.225 55.881 56.048 0.096 0.000 1.155 372 H CB -0.456 29.333 29.762 0.046 0.000 1.394 372 H HN 0.654 nan 8.280 nan 0.000 0.570 373 I N -4.041 116.296 120.570 -0.389 0.000 2.785 373 I HA 0.304 4.468 4.170 -0.009 0.000 0.302 373 I C -0.042 176.099 176.117 0.040 0.000 1.069 373 I CA -1.276 59.906 61.300 -0.197 0.000 1.045 373 I CB 1.714 39.496 38.000 -0.363 0.000 1.236 373 I HN -0.204 nan 8.210 nan 0.000 0.429 374 F N 2.030 121.976 119.950 -0.007 0.000 2.717 374 F HA 0.021 4.542 4.527 -0.010 0.000 0.295 374 F C 2.431 178.282 175.800 0.086 0.000 1.117 374 F CA 0.949 59.017 58.000 0.112 0.000 1.361 374 F CB 0.374 39.456 39.000 0.137 0.000 1.112 374 F HN 0.693 nan 8.300 nan 0.000 0.594 375 S N -0.196 115.555 115.700 0.084 0.000 2.400 375 S HA -0.320 4.145 4.470 -0.009 0.000 0.234 375 S C 2.233 176.763 174.600 -0.116 0.000 1.049 375 S CA 1.631 59.838 58.200 0.013 0.000 1.039 375 S CB -1.476 61.725 63.200 0.002 0.000 0.856 375 S HN 0.505 nan 8.310 nan 0.000 0.465 376 S N 1.228 116.767 115.700 -0.268 0.000 2.440 376 S HA -0.067 4.398 4.470 -0.009 0.000 0.238 376 S C 1.469 175.783 174.600 -0.476 0.000 1.010 376 S CA 1.053 59.026 58.200 -0.379 0.000 0.972 376 S CB -1.068 61.845 63.200 -0.479 0.000 0.774 376 S HN 0.593 nan 8.310 nan 0.000 0.501 377 F N 1.622 121.324 119.950 -0.413 0.000 2.293 377 F HA 0.078 4.599 4.527 -0.009 0.000 0.297 377 F C 3.092 178.754 175.800 -0.230 0.000 1.089 377 F CA 0.916 58.578 58.000 -0.565 0.000 1.377 377 F CB -0.432 37.917 39.000 -1.084 0.000 1.051 377 F HN 0.355 nan 8.300 nan 0.000 0.511 378 S N 0.413 116.135 115.700 0.037 0.000 2.362 378 S HA -0.076 4.388 4.470 -0.009 0.000 0.221 378 S C 2.014 176.644 174.600 0.049 0.000 1.032 378 S CA 0.875 59.128 58.200 0.088 0.000 0.973 378 S CB -0.431 62.831 63.200 0.104 0.000 0.849 378 S HN 0.295 nan 8.310 nan 0.000 0.465 379 L N 1.172 122.390 121.223 -0.008 0.000 2.141 379 L HA 0.158 4.492 4.340 -0.009 0.000 0.209 379 L C 1.695 178.526 176.870 -0.064 0.000 1.094 379 L CA 0.597 55.417 54.840 -0.033 0.000 0.763 379 L CB -0.903 41.123 42.059 -0.055 0.000 0.908 379 L HN 0.370 nan 8.230 nan 0.000 0.437 380 G N -0.189 108.556 108.800 -0.092 0.000 2.547 380 G HA2 0.247 4.202 3.960 -0.009 0.000 0.291 380 G HA3 0.247 4.202 3.960 -0.009 0.000 0.291 380 G C 0.154 174.896 174.900 -0.264 0.000 1.211 380 G CA -0.129 44.840 45.100 -0.219 0.000 0.950 380 G HN 0.376 nan 8.290 nan 0.000 0.504 381 N N -2.407 115.917 118.700 -0.625 0.000 2.167 381 N HA 0.131 4.865 4.740 -0.009 0.000 0.234 381 N C -0.042 174.793 175.510 -1.126 0.000 1.312 381 N CA 0.150 52.843 53.050 -0.595 0.000 0.861 381 N CB -0.360 38.000 38.487 -0.211 0.000 1.217 381 N HN 0.820 nan 8.380 nan 0.000 0.504 382 C N -2.498 115.737 119.300 -1.775 0.000 3.306 382 C HA 0.740 5.194 4.460 -0.009 0.000 0.335 382 C C -1.586 172.835 174.990 -0.949 0.000 1.382 382 C CA -1.596 56.712 59.018 -1.183 0.000 1.254 382 C CB 0.161 27.645 27.740 -0.426 0.000 1.555 382 C HN 0.071 nan 8.230 nan 0.000 0.463 383 F N 1.281 121.156 119.950 -0.125 0.000 2.458 383 F HA 0.662 5.183 4.527 -0.010 0.000 0.336 383 F C 0.417 176.218 175.800 0.002 0.000 1.114 383 F CA -0.776 57.274 58.000 0.084 0.000 0.987 383 F CB 1.503 40.707 39.000 0.341 0.000 1.130 383 F HN 0.435 nan 8.300 nan 0.000 0.458 384 I N 5.035 125.709 120.570 0.174 0.000 2.291 384 I HA 0.153 4.317 4.170 -0.009 0.000 0.292 384 I C -0.565 175.545 176.117 -0.012 0.000 1.064 384 I CA -0.574 60.755 61.300 0.047 0.000 1.269 384 I CB 0.827 38.826 38.000 -0.001 0.000 1.418 384 I HN 0.218 nan 8.210 nan 0.000 0.485 385 V N 8.082 127.945 119.914 -0.085 0.000 2.276 385 V HA 0.167 4.281 4.120 -0.009 0.000 0.249 385 V C 0.465 176.410 176.094 -0.249 0.000 1.160 385 V CA -0.296 61.810 62.300 -0.324 0.000 1.042 385 V CB -0.210 31.411 31.823 -0.337 0.000 1.224 385 V HN 0.496 nan 8.190 nan 0.000 0.496 386 L N 3.798 124.887 121.223 -0.223 0.000 2.315 386 L HA 0.318 4.652 4.340 -0.009 0.000 0.283 386 L C 0.703 177.478 176.870 -0.159 0.000 1.089 386 L CA -0.513 54.241 54.840 -0.143 0.000 0.833 386 L CB 0.323 42.323 42.059 -0.098 0.000 1.170 386 L HN 0.512 nan 8.230 nan 0.000 0.442 387 E N 2.047 122.176 120.200 -0.118 0.000 2.604 387 E HA -0.129 4.215 4.350 -0.009 0.000 0.267 387 E C 1.039 177.589 176.600 -0.082 0.000 0.970 387 E CA 0.288 56.628 56.400 -0.101 0.000 0.956 387 E CB 0.433 30.094 29.700 -0.066 0.000 0.939 387 E HN 0.375 nan 8.360 nan 0.000 0.465 388 R N 2.231 122.686 120.500 -0.075 0.000 2.115 388 R HA -0.255 4.079 4.340 -0.009 0.000 0.239 388 R C 0.838 177.116 176.300 -0.036 0.000 1.133 388 R CA 2.255 58.325 56.100 -0.050 0.000 0.935 388 R CB -0.042 30.235 30.300 -0.040 0.000 0.853 388 R HN 0.574 nan 8.270 nan 0.000 0.433 389 D N -0.096 120.285 120.400 -0.032 0.000 2.312 389 D HA -0.083 4.552 4.640 -0.009 0.000 0.211 389 D C 0.520 176.806 176.300 -0.023 0.000 0.964 389 D CA 0.404 54.390 54.000 -0.023 0.000 0.877 389 D CB -0.218 40.569 40.800 -0.020 0.000 0.924 389 D HN 0.178 nan 8.370 nan 0.000 0.515 390 R N 0.593 121.076 120.500 -0.029 0.000 2.585 390 R HA 0.264 4.598 4.340 -0.009 0.000 0.275 390 R C 0.740 177.026 176.300 -0.023 0.000 1.018 390 R CA 0.124 56.209 56.100 -0.025 0.000 1.072 390 R CB 0.511 30.793 30.300 -0.031 0.000 0.953 390 R HN 0.009 nan 8.270 nan 0.000 0.419 391 G N 2.235 111.024 108.800 -0.019 0.000 2.606 391 G HA2 0.084 4.039 3.960 -0.009 0.000 0.262 391 G HA3 0.084 4.039 3.960 -0.009 0.000 0.262 391 G C -0.714 174.173 174.900 -0.022 0.000 1.394 391 G CA -0.804 44.285 45.100 -0.018 0.000 1.044 391 G HN 0.651 nan 8.290 nan 0.000 0.553 392 N N -1.092 117.595 118.700 -0.021 0.000 2.232 392 N HA 0.137 4.871 4.740 -0.009 0.000 0.251 392 N C -0.281 175.213 175.510 -0.026 0.000 1.242 392 N CA 0.182 53.217 53.050 -0.025 0.000 0.837 392 N CB 0.911 39.383 38.487 -0.024 0.000 1.079 392 N HN 0.142 nan 8.380 nan 0.000 0.461 393 V N 2.471 122.366 119.914 -0.031 0.000 2.384 393 V HA 0.216 4.330 4.120 -0.009 0.000 0.287 393 V C 0.093 176.162 176.094 -0.040 0.000 1.020 393 V CA -0.808 61.472 62.300 -0.033 0.000 0.850 393 V CB 1.478 33.282 31.823 -0.032 0.000 0.987 393 V HN 0.504 nan 8.190 nan 0.000 0.436 394 E N 2.582 122.756 120.200 -0.044 0.000 2.343 394 E HA 0.334 4.678 4.350 -0.009 0.000 0.269 394 E C -0.158 176.401 176.600 -0.067 0.000 1.047 394 E CA -0.523 55.846 56.400 -0.051 0.000 0.874 394 E CB 1.817 31.487 29.700 -0.049 0.000 1.033 394 E HN 0.386 nan 8.360 nan 0.000 0.409 395 V N 1.851 121.724 119.914 -0.068 0.000 2.752 395 V HA 0.132 4.246 4.120 -0.009 0.000 0.306 395 V C 1.586 177.612 176.094 -0.113 0.000 1.099 395 V CA 1.950 64.201 62.300 -0.083 0.000 1.240 395 V CB 0.154 31.934 31.823 -0.071 0.000 0.887 395 V HN 1.000 nan 8.190 nan 0.000 0.499 396 G N 3.180 111.891 108.800 -0.149 0.000 2.195 396 G HA2 -0.205 3.749 3.960 -0.009 0.000 0.246 396 G HA3 -0.205 3.749 3.960 -0.009 0.000 0.246 396 G C 0.108 174.819 174.900 -0.316 0.000 0.984 396 G CA 0.207 45.172 45.100 -0.226 0.000 0.633 396 G HN 0.676 nan 8.290 nan 0.000 0.525 397 E N -0.685 119.385 120.200 -0.218 0.000 2.373 397 E HA 0.332 4.677 4.350 -0.009 0.000 0.263 397 E C -0.120 176.380 176.600 -0.167 0.000 1.073 397 E CA -0.799 55.487 56.400 -0.191 0.000 0.894 397 E CB 0.491 30.147 29.700 -0.074 0.000 1.008 397 E HN 0.372 nan 8.360 nan 0.000 0.420 398 W N 1.918 123.202 121.300 -0.027 0.000 2.253 398 W HA 0.262 4.916 4.660 -0.009 0.000 0.322 398 W C -0.281 176.218 176.519 -0.033 0.000 1.342 398 W CA -0.384 56.945 57.345 -0.027 0.000 1.218 398 W CB 0.658 30.103 29.460 -0.024 0.000 1.205 398 W HN 0.136 nan 8.180 nan 0.000 0.551 399 V N 3.678 123.767 119.914 0.292 0.000 3.007 399 V HA 0.268 4.383 4.120 -0.009 0.000 0.311 399 V C -0.416 175.736 176.094 0.097 0.000 1.120 399 V CA -1.117 61.261 62.300 0.130 0.000 0.980 399 V CB 2.283 34.146 31.823 0.066 0.000 1.033 399 V HN 0.263 nan 8.190 nan 0.000 0.429 400 E N 2.003 122.224 120.200 0.035 0.000 2.200 400 E HA 0.514 4.858 4.350 -0.009 0.000 0.283 400 E C -1.133 175.480 176.600 0.022 0.000 1.015 400 E CA -0.087 56.321 56.400 0.014 0.000 0.819 400 E CB 1.850 31.536 29.700 -0.023 0.000 1.081 400 E HN 0.344 nan 8.360 nan 0.000 0.397 401 V N 2.824 122.763 119.914 0.041 0.000 2.656 401 V HA 0.246 4.361 4.120 -0.009 0.000 0.307 401 V C -0.138 176.013 176.094 0.095 0.000 1.051 401 V CA -0.718 61.616 62.300 0.056 0.000 0.893 401 V CB 2.071 33.911 31.823 0.029 0.000 0.999 401 V HN 0.589 nan 8.190 nan 0.000 0.426 402 E N 6.160 126.462 120.200 0.170 0.000 2.207 402 E HA 0.430 4.774 4.350 -0.009 0.000 0.250 402 E C -2.731 174.017 176.600 0.247 0.000 0.890 402 E CA -2.095 54.457 56.400 0.253 0.000 0.749 402 E CB 2.077 32.017 29.700 0.400 0.000 1.193 402 E HN 0.393 nan 8.360 nan 0.000 0.423 403 P HA -0.011 nan 4.420 nan 0.000 0.266 403 P C -0.597 176.879 177.300 0.294 0.000 1.195 403 P CA 0.001 63.160 63.100 0.098 0.000 0.768 403 P CB 0.168 31.920 31.700 0.086 0.000 0.838 404 F N 2.535 122.535 119.950 0.083 0.000 2.563 404 F HA 0.046 4.567 4.527 -0.010 0.000 0.363 404 F C 1.571 177.508 175.800 0.228 0.000 1.123 404 F CA -0.273 57.825 58.000 0.165 0.000 1.307 404 F CB -0.475 38.591 39.000 0.111 0.000 1.115 404 F HN 0.376 nan 8.300 nan 0.000 0.592 405 N N 1.350 120.344 118.700 0.490 0.000 2.495 405 N HA 0.370 5.104 4.740 -0.009 0.000 0.294 405 N C 0.709 176.336 175.510 0.196 0.000 1.276 405 N CA -0.018 53.202 53.050 0.283 0.000 0.973 405 N CB -0.255 38.358 38.487 0.210 0.000 1.143 405 N HN 0.443 nan 8.380 nan 0.000 0.589 406 A N -0.475 122.409 122.820 0.106 0.000 2.076 406 A HA -0.067 4.247 4.320 -0.009 0.000 0.220 406 A C 2.158 179.734 177.584 -0.013 0.000 1.160 406 A CA 1.023 53.095 52.037 0.059 0.000 0.653 406 A CB -1.167 17.857 19.000 0.040 0.000 0.801 406 A HN 0.623 nan 8.150 nan 0.000 0.455 407 L N -2.408 118.747 121.223 -0.114 0.000 2.187 407 L HA -0.156 4.178 4.340 -0.009 0.000 0.213 407 L C 1.500 178.061 176.870 -0.514 0.000 1.100 407 L CA 1.213 55.841 54.840 -0.353 0.000 0.765 407 L CB -0.380 41.370 42.059 -0.514 0.000 0.904 407 L HN 0.505 nan 8.230 nan 0.000 0.437 408 F N -0.947 119.025 119.950 0.037 0.000 2.683 408 F HA 0.427 4.949 4.527 -0.009 0.000 0.306 408 F C 1.179 177.035 175.800 0.093 0.000 1.102 408 F CA 0.032 58.029 58.000 -0.006 0.000 1.244 408 F CB 0.768 39.620 39.000 -0.246 0.000 1.029 408 F HN 0.073 nan 8.300 nan 0.000 0.545 409 G N 0.000 108.918 108.800 0.196 0.000 5.446 409 G HA2 0.000 3.954 3.960 -0.009 0.000 0.244 409 G HA3 0.000 3.954 3.960 -0.009 0.000 0.244 409 G CA 0.000 45.196 45.100 0.161 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925