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 2nrs_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 GHQGWHIFSS 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 0.000 176.873 176.870 0.005 0.000 1.165 7 L CA 0.000 54.857 54.840 0.029 0.000 0.813 7 L CB 0.000 42.085 42.059 0.043 0.000 0.961 8 M N 2.375 121.975 119.600 -0.001 0.000 2.249 8 M HA 0.127 4.605 4.480 -0.004 0.000 0.340 8 M C 0.343 176.603 176.300 -0.067 0.000 1.166 8 M CA 0.397 55.656 55.300 -0.069 0.000 1.115 8 M CB 0.892 33.403 32.600 -0.149 0.000 1.606 8 M HN 0.365 nan 8.290 nan 0.000 0.448 9 S N 5.034 120.676 115.700 -0.097 0.000 2.508 9 S HA 0.239 4.707 4.470 -0.004 0.000 0.284 9 S C 1.040 175.582 174.600 -0.097 0.000 1.192 9 S CA -1.009 57.146 58.200 -0.074 0.000 1.070 9 S CB 1.295 64.454 63.200 -0.069 0.000 1.004 9 S HN 0.978 nan 8.310 nan 0.000 0.493 10 L N 1.750 122.941 121.223 -0.053 0.000 2.030 10 L HA -0.254 4.084 4.340 -0.004 0.000 0.222 10 L C 2.315 179.125 176.870 -0.101 0.000 1.082 10 L CA 2.640 57.445 54.840 -0.059 0.000 0.785 10 L CB -0.710 41.365 42.059 0.027 0.000 0.895 10 L HN 0.988 nan 8.230 nan 0.000 0.439 11 D N -1.356 118.996 120.400 -0.080 0.000 2.126 11 D HA -0.223 4.415 4.640 -0.004 0.000 0.190 11 D C 1.903 178.123 176.300 -0.134 0.000 1.001 11 D CA 2.257 56.202 54.000 -0.091 0.000 0.841 11 D CB 0.107 40.864 40.800 -0.071 0.000 0.949 11 D HN 0.298 nan 8.370 nan 0.000 0.446 12 T N -0.352 114.109 114.554 -0.156 0.000 2.635 12 T HA -0.226 4.122 4.350 -0.004 0.000 0.267 12 T C 1.932 176.447 174.700 -0.307 0.000 1.040 12 T CA 1.882 63.858 62.100 -0.207 0.000 1.156 12 T CB -0.676 68.061 68.868 -0.219 0.000 0.863 12 T HN 0.310 nan 8.240 nan 0.000 0.430 13 A N 0.968 123.554 122.820 -0.390 0.000 1.898 13 A HA 0.062 4.380 4.320 -0.004 0.000 0.216 13 A C 2.355 179.739 177.584 -0.334 0.000 1.181 13 A CA 1.028 52.719 52.037 -0.577 0.000 0.620 13 A CB -0.931 17.774 19.000 -0.491 0.000 0.819 13 A HN 0.451 nan 8.150 nan 0.000 0.442 14 L N -0.470 120.610 121.223 -0.238 0.000 1.978 14 L HA -0.299 4.039 4.340 -0.004 0.000 0.218 14 L C 2.260 179.020 176.870 -0.183 0.000 1.075 14 L CA 2.363 57.083 54.840 -0.200 0.000 0.767 14 L CB -0.538 41.427 42.059 -0.157 0.000 0.890 14 L HN 0.477 nan 8.230 nan 0.000 0.434 15 N N -0.887 117.716 118.700 -0.162 0.000 2.331 15 N HA -0.202 4.536 4.740 -0.004 0.000 0.180 15 N C 1.590 177.032 175.510 -0.114 0.000 1.019 15 N CA 0.812 53.788 53.050 -0.124 0.000 0.881 15 N CB 0.066 38.492 38.487 -0.100 0.000 0.972 15 N HN 0.301 nan 8.380 nan 0.000 0.435 16 E N 0.512 120.623 120.200 -0.148 0.000 2.072 16 E HA -0.071 4.277 4.350 -0.004 0.000 0.190 16 E C 1.685 178.261 176.600 -0.039 0.000 0.982 16 E CA 1.131 57.484 56.400 -0.078 0.000 0.803 16 E CB 0.009 29.627 29.700 -0.138 0.000 0.755 16 E HN 0.289 nan 8.360 nan 0.000 0.453 17 M N -0.112 119.393 119.600 -0.157 0.000 2.064 17 M HA -0.087 4.391 4.480 -0.004 0.000 0.260 17 M C 2.251 178.408 176.300 -0.239 0.000 1.073 17 M CA 1.405 56.507 55.300 -0.329 0.000 1.124 17 M CB -0.317 31.946 32.600 -0.561 0.000 1.326 17 M HN 0.159 nan 8.290 nan 0.000 0.410 18 L N -0.048 121.054 121.223 -0.202 0.000 2.127 18 L HA -0.192 4.146 4.340 -0.004 0.000 0.211 18 L C 2.687 179.495 176.870 -0.104 0.000 1.089 18 L CA 1.412 56.155 54.840 -0.162 0.000 0.757 18 L CB -1.060 40.919 42.059 -0.133 0.000 0.899 18 L HN 0.446 nan 8.230 nan 0.000 0.434 19 S N -0.068 115.591 115.700 -0.068 0.000 2.399 19 S HA -0.134 4.334 4.470 -0.004 0.000 0.231 19 S C 1.943 176.554 174.600 0.018 0.000 1.022 19 S CA 0.587 58.776 58.200 -0.018 0.000 0.983 19 S CB -0.301 62.898 63.200 -0.002 0.000 0.803 19 S HN 0.450 nan 8.310 nan 0.000 0.480 20 R N 0.687 121.198 120.500 0.019 0.000 2.240 20 R HA 0.274 4.612 4.340 -0.004 0.000 0.203 20 R C -0.032 176.327 176.300 0.098 0.000 1.011 20 R CA 0.177 56.346 56.100 0.115 0.000 1.007 20 R CB -0.318 30.111 30.300 0.215 0.000 0.911 20 R HN 0.318 nan 8.270 nan 0.000 0.468 21 V N 1.870 121.721 119.914 -0.104 0.000 2.509 21 V HA 0.143 4.261 4.120 -0.004 0.000 0.284 21 V C 0.261 176.393 176.094 0.062 0.000 1.047 21 V CA -0.039 62.205 62.300 -0.094 0.000 0.952 21 V CB 1.818 33.435 31.823 -0.343 0.000 0.988 21 V HN 0.035 nan 8.190 nan 0.000 0.469 22 T N 7.148 121.809 114.554 0.178 0.000 2.771 22 T HA 0.438 4.785 4.350 -0.004 0.000 0.281 22 T C -2.450 172.318 174.700 0.113 0.000 0.982 22 T CA -0.942 61.237 62.100 0.131 0.000 0.978 22 T CB 1.601 70.562 68.868 0.156 0.000 0.930 22 T HN 0.466 nan 8.240 nan 0.000 0.447 23 P HA 0.173 nan 4.420 nan 0.000 0.269 23 P C -0.285 177.051 177.300 0.060 0.000 1.209 23 P CA -0.728 62.401 63.100 0.049 0.000 0.776 23 P CB 0.418 32.133 31.700 0.025 0.000 0.876 24 L N 1.959 123.216 121.223 0.057 0.000 2.479 24 L HA 0.163 4.501 4.340 -0.004 0.000 0.270 24 L C 1.574 178.465 176.870 0.035 0.000 1.236 24 L CA 1.380 56.251 54.840 0.051 0.000 0.823 24 L CB -0.440 41.647 42.059 0.046 0.000 1.098 24 L HN 0.666 nan 8.230 nan 0.000 0.500 25 T N -2.514 112.058 114.554 0.031 0.000 3.191 25 T HA 0.398 4.746 4.350 -0.004 0.000 0.285 25 T C 0.419 175.131 174.700 0.020 0.000 0.887 25 T CA 0.240 62.355 62.100 0.024 0.000 0.881 25 T CB -0.201 68.682 68.868 0.024 0.000 1.217 25 T HN 0.604 nan 8.240 nan 0.000 0.591 26 A N 2.274 125.107 122.820 0.021 0.000 2.520 26 A HA 0.567 4.885 4.320 -0.004 0.000 0.235 26 A C 0.316 177.909 177.584 0.015 0.000 1.065 26 A CA -0.151 51.896 52.037 0.018 0.000 0.764 26 A CB 0.089 19.101 19.000 0.019 0.000 1.002 26 A HN 0.811 nan 8.150 nan 0.000 0.502 27 Q N 0.346 120.154 119.800 0.012 0.000 2.501 27 Q HA 0.721 5.058 4.340 -0.004 0.000 0.288 27 Q C -1.181 174.825 176.000 0.010 0.000 1.051 27 Q CA -0.887 54.922 55.803 0.010 0.000 0.788 27 Q CB 1.736 30.479 28.738 0.009 0.000 1.469 27 Q HN 0.837 nan 8.270 nan 0.000 0.416 28 E N 0.128 120.333 120.200 0.008 0.000 2.446 28 E HA 0.620 4.968 4.350 -0.004 0.000 0.276 28 E C -1.290 175.314 176.600 0.007 0.000 0.969 28 E CA -1.008 55.397 56.400 0.008 0.000 0.800 28 E CB 2.287 31.993 29.700 0.009 0.000 1.341 28 E HN 0.472 nan 8.360 nan 0.000 0.460 29 T N 1.462 116.021 114.554 0.008 0.000 2.809 29 T HA 0.513 4.861 4.350 -0.004 0.000 0.284 29 T C -0.675 174.030 174.700 0.009 0.000 0.992 29 T CA -0.517 61.588 62.100 0.008 0.000 0.957 29 T CB 0.363 69.236 68.868 0.009 0.000 0.942 29 T HN 0.298 nan 8.240 nan 0.000 0.439 30 L N 4.946 126.174 121.223 0.008 0.000 2.354 30 L HA 0.607 4.945 4.340 -0.004 0.000 0.264 30 L C -2.289 174.587 176.870 0.011 0.000 1.008 30 L CA -2.812 52.034 54.840 0.010 0.000 0.819 30 L CB 2.291 44.357 42.059 0.011 0.000 1.339 30 L HN 0.348 nan 8.230 nan 0.000 0.420 31 P HA 0.149 nan 4.420 nan 0.000 0.271 31 P C 0.662 177.972 177.300 0.017 0.000 1.218 31 P CA -0.303 62.806 63.100 0.014 0.000 0.780 31 P CB 0.858 32.567 31.700 0.015 0.000 0.901 32 L N 2.302 123.535 121.223 0.017 0.000 2.079 32 L HA -0.148 4.189 4.340 -0.004 0.000 0.210 32 L C 2.541 179.429 176.870 0.031 0.000 1.081 32 L CA 1.163 56.014 54.840 0.017 0.000 0.752 32 L CB -0.904 41.166 42.059 0.017 0.000 0.896 32 L HN 0.214 nan 8.230 nan 0.000 0.433 33 V N -0.054 119.878 119.914 0.031 0.000 2.828 33 V HA -0.267 3.851 4.120 -0.004 0.000 0.260 33 V C 1.937 178.058 176.094 0.045 0.000 1.101 33 V CA 1.724 64.047 62.300 0.038 0.000 1.123 33 V CB -0.298 31.540 31.823 0.024 0.000 0.704 33 V HN 0.570 nan 8.190 nan 0.000 0.493 34 Q N -2.157 117.666 119.800 0.039 0.000 2.246 34 Q HA 0.104 4.442 4.340 -0.004 0.000 0.202 34 Q C 1.510 177.543 176.000 0.054 0.000 0.883 34 Q CA 0.276 56.105 55.803 0.043 0.000 0.952 34 Q CB 0.239 28.994 28.738 0.028 0.000 1.078 34 Q HN 0.639 nan 8.270 nan 0.000 0.493 35 C N 0.234 119.569 119.300 0.059 0.000 2.906 35 C HA 0.224 4.682 4.460 -0.004 0.000 0.274 35 C C 0.560 175.566 174.990 0.027 0.000 1.257 35 C CA -0.822 58.213 59.018 0.028 0.000 1.695 35 C CB -1.062 26.672 27.740 -0.011 0.000 1.958 35 C HN 0.433 nan 8.230 nan 0.000 0.619 36 F N 1.399 121.331 119.950 -0.031 0.000 2.578 36 F HA 0.425 4.950 4.527 -0.004 0.000 0.376 36 F C 1.402 177.183 175.800 -0.032 0.000 1.085 36 F CA 1.964 59.943 58.000 -0.034 0.000 1.260 36 F CB 0.466 39.451 39.000 -0.025 0.000 1.095 36 F HN 0.441 nan 8.300 nan 0.000 0.573 37 G N 3.938 112.403 108.800 -0.558 0.000 2.179 37 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.260 37 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.260 37 G C 0.464 175.275 174.900 -0.148 0.000 0.977 37 G CA -0.127 44.819 45.100 -0.256 0.000 0.641 37 G HN 0.623 nan 8.290 nan 0.000 0.533 38 R N -0.047 120.369 120.500 -0.140 0.000 2.573 38 R HA 0.592 4.930 4.340 -0.004 0.000 0.272 38 R C 0.318 176.559 176.300 -0.099 0.000 1.009 38 R CA -0.797 55.253 56.100 -0.083 0.000 1.059 38 R CB 0.732 31.003 30.300 -0.047 0.000 1.112 38 R HN 0.180 nan 8.270 nan 0.000 0.517 39 I N 3.274 123.805 120.570 -0.066 0.000 2.307 39 I HA 0.221 4.389 4.170 -0.004 0.000 0.289 39 I C 0.779 176.869 176.117 -0.045 0.000 1.021 39 I CA -0.763 60.501 61.300 -0.061 0.000 1.224 39 I CB 0.355 38.330 38.000 -0.043 0.000 1.376 39 I HN 0.362 nan 8.210 nan 0.000 0.470 40 L N 4.709 125.901 121.223 -0.052 0.000 2.578 40 L HA -0.068 4.270 4.340 -0.004 0.000 0.279 40 L C 1.520 178.384 176.870 -0.011 0.000 1.227 40 L CA 0.141 54.964 54.840 -0.029 0.000 0.900 40 L CB 0.900 42.947 42.059 -0.020 0.000 1.144 40 L HN 0.795 nan 8.230 nan 0.000 0.496 41 A N 2.675 125.494 122.820 -0.003 0.000 1.984 41 A HA 0.104 4.422 4.320 -0.004 0.000 0.214 41 A C 0.832 178.422 177.584 0.010 0.000 1.173 41 A CA 0.739 52.779 52.037 0.004 0.000 0.673 41 A CB 0.084 19.088 19.000 0.005 0.000 0.830 41 A HN 0.690 nan 8.150 nan 0.000 0.453 42 S N -0.009 115.699 115.700 0.014 0.000 2.671 42 S HA 0.507 4.975 4.470 -0.004 0.000 0.299 42 S C -1.480 173.138 174.600 0.031 0.000 1.116 42 S CA -1.006 57.206 58.200 0.020 0.000 0.912 42 S CB 1.014 64.225 63.200 0.018 0.000 1.130 42 S HN 0.225 nan 8.310 nan 0.000 0.501 43 D N 1.017 121.436 120.400 0.033 0.000 2.400 43 D HA 0.254 4.892 4.640 -0.004 0.000 0.238 43 D C -0.382 175.951 176.300 0.054 0.000 1.157 43 D CA 0.054 54.081 54.000 0.046 0.000 0.889 43 D CB 0.507 41.326 40.800 0.031 0.000 1.199 43 D HN 0.235 nan 8.370 nan 0.000 0.436 44 V N 2.476 122.441 119.914 0.085 0.000 2.383 44 V HA 0.215 4.333 4.120 -0.004 0.000 0.275 44 V C 0.307 176.431 176.094 0.049 0.000 1.036 44 V CA -0.562 61.789 62.300 0.086 0.000 0.889 44 V CB 1.589 33.510 31.823 0.164 0.000 0.985 44 V HN 0.206 nan 8.190 nan 0.000 0.459 45 V N 4.067 123.999 119.914 0.030 0.000 2.513 45 V HA 0.357 4.475 4.120 -0.004 0.000 0.299 45 V C 0.412 176.509 176.094 0.004 0.000 1.035 45 V CA -0.395 61.910 62.300 0.008 0.000 0.889 45 V CB 2.173 33.999 31.823 0.006 0.000 0.988 45 V HN 0.854 nan 8.190 nan 0.000 0.440 46 S N 6.163 121.856 115.700 -0.012 0.000 2.465 46 S HA 0.241 4.709 4.470 -0.004 0.000 0.280 46 S C -1.226 173.371 174.600 -0.005 0.000 1.232 46 S CA -1.024 57.169 58.200 -0.012 0.000 1.066 46 S CB 0.950 64.131 63.200 -0.031 0.000 0.929 46 S HN 0.664 nan 8.310 nan 0.000 0.494 47 P HA 0.091 nan 4.420 nan 0.000 0.222 47 P C -0.439 176.862 177.300 0.001 0.000 1.153 47 P CA 0.671 63.774 63.100 0.004 0.000 0.798 47 P CB -0.071 31.635 31.700 0.010 0.000 0.796 48 L N -3.017 118.204 121.223 -0.004 0.000 2.309 48 L HA 0.597 4.934 4.340 -0.004 0.000 0.261 48 L C -0.110 176.748 176.870 -0.020 0.000 1.021 48 L CA -1.223 53.612 54.840 -0.007 0.000 0.823 48 L CB 0.438 42.494 42.059 -0.005 0.000 1.366 48 L HN -0.377 nan 8.230 nan 0.000 0.423 49 D N 0.529 120.916 120.400 -0.023 0.000 2.341 49 D HA 0.478 5.116 4.640 -0.004 0.000 0.245 49 D C -0.893 175.366 176.300 -0.068 0.000 1.106 49 D CA 0.190 54.166 54.000 -0.040 0.000 0.905 49 D CB 2.151 42.932 40.800 -0.032 0.000 1.202 49 D HN 0.292 nan 8.370 nan 0.000 0.426 50 V N 3.989 123.855 119.914 -0.080 0.000 2.610 50 V HA 0.217 4.335 4.120 -0.004 0.000 0.298 50 V C -2.288 173.742 176.094 -0.107 0.000 1.067 50 V CA -1.331 60.906 62.300 -0.105 0.000 0.894 50 V CB 2.421 34.197 31.823 -0.079 0.000 1.015 50 V HN 0.426 nan 8.190 nan 0.000 0.432 51 P HA 0.167 nan 4.420 nan 0.000 0.274 51 P C 0.811 177.932 177.300 -0.298 0.000 1.246 51 P CA 0.021 62.968 63.100 -0.256 0.000 0.795 51 P CB 1.238 32.761 31.700 -0.295 0.000 1.006 52 G N 0.169 108.689 108.800 -0.468 0.000 2.920 52 G HA2 0.267 4.225 3.960 -0.004 0.000 0.208 52 G HA3 0.267 4.225 3.960 -0.004 0.000 0.208 52 G C -0.140 174.647 174.900 -0.188 0.000 1.159 52 G CA 0.008 44.926 45.100 -0.304 0.000 0.784 52 G HN 0.581 nan 8.290 nan 0.000 0.535 53 F N -2.448 117.508 119.950 0.010 0.000 2.769 53 F HA 0.337 4.861 4.527 -0.004 0.000 0.313 53 F C -1.243 174.563 175.800 0.010 0.000 1.146 53 F CA -2.422 55.585 58.000 0.012 0.000 0.934 53 F CB 0.210 39.219 39.000 0.016 0.000 1.283 53 F HN -0.205 nan 8.300 nan 0.000 0.443 54 D N 2.752 123.319 120.400 0.279 0.000 2.424 54 D HA 0.250 4.888 4.640 -0.004 0.000 0.244 54 D C -0.502 175.955 176.300 0.261 0.000 1.134 54 D CA 0.554 54.661 54.000 0.178 0.000 0.881 54 D CB 0.885 41.761 40.800 0.127 0.000 1.191 54 D HN 0.711 nan 8.370 nan 0.000 0.445 55 N N -0.691 118.109 118.700 0.165 0.000 2.927 55 N HA 0.074 4.812 4.740 -0.004 0.000 0.248 55 N C -1.486 174.067 175.510 0.073 0.000 1.443 55 N CA -0.727 52.424 53.050 0.169 0.000 0.870 55 N CB 1.657 40.290 38.487 0.244 0.000 1.444 55 N HN 0.191 nan 8.380 nan 0.000 0.519 56 S N -0.724 115.001 115.700 0.042 0.000 2.489 56 S HA 0.563 5.031 4.470 -0.004 0.000 0.277 56 S C 1.080 175.678 174.600 -0.005 0.000 1.230 56 S CA 0.100 58.302 58.200 0.003 0.000 1.053 56 S CB 0.419 63.593 63.200 -0.044 0.000 0.955 56 S HN 0.742 nan 8.310 nan 0.000 0.488 57 A N 6.353 129.172 122.820 -0.001 0.000 1.872 57 A HA 0.174 4.492 4.320 -0.004 0.000 0.214 57 A C 1.156 178.732 177.584 -0.013 0.000 1.187 57 A CA 0.869 52.904 52.037 -0.003 0.000 0.614 57 A CB -0.300 18.703 19.000 0.004 0.000 0.826 57 A HN 0.803 nan 8.150 nan 0.000 0.442 58 M N 0.444 120.033 119.600 -0.019 0.000 2.649 58 M HA 0.366 4.844 4.480 -0.004 0.000 0.294 58 M C -1.444 174.811 176.300 -0.075 0.000 1.206 58 M CA -0.880 54.401 55.300 -0.032 0.000 0.928 58 M CB 0.329 32.919 32.600 -0.017 0.000 1.571 58 M HN 0.223 nan 8.290 nan 0.000 0.501 59 D N -0.062 120.283 120.400 -0.092 0.000 2.177 59 D HA 0.733 5.371 4.640 -0.004 0.000 0.247 59 D C 0.436 176.621 176.300 -0.192 0.000 1.063 59 D CA -0.265 53.636 54.000 -0.164 0.000 0.867 59 D CB 1.600 42.317 40.800 -0.139 0.000 1.168 59 D HN 0.866 nan 8.370 nan 0.000 0.445 60 G N 0.124 108.725 108.800 -0.333 0.000 2.520 60 G HA2 0.156 4.113 3.960 -0.004 0.000 0.067 60 G HA3 0.156 4.113 3.960 -0.004 0.000 0.067 60 G C -1.792 172.649 174.900 -0.765 0.000 0.977 60 G CA -0.806 44.016 45.100 -0.463 0.000 1.152 60 G HN 0.365 nan 8.290 nan 0.000 0.479 61 Y N 1.053 121.369 120.300 0.026 0.000 2.373 61 Y HA 0.708 5.255 4.550 -0.004 0.000 0.336 61 Y C 0.472 176.446 175.900 0.124 0.000 0.979 61 Y CA -0.224 57.927 58.100 0.085 0.000 1.080 61 Y CB 2.336 40.914 38.460 0.196 0.000 1.190 61 Y HN 0.791 nan 8.280 nan 0.000 0.446 62 A N 3.102 126.043 122.820 0.201 0.000 2.366 62 A HA 0.767 5.085 4.320 -0.004 0.000 0.272 62 A C -0.426 177.396 177.584 0.397 0.000 1.135 62 A CA -0.356 51.803 52.037 0.203 0.000 0.804 62 A CB 0.100 19.113 19.000 0.022 0.000 1.064 62 A HN 0.877 nan 8.150 nan 0.000 0.499 63 V N 0.102 120.231 119.914 0.359 0.000 3.087 63 V HA 0.786 4.903 4.120 -0.004 0.000 0.306 63 V C -0.612 175.507 176.094 0.042 0.000 1.187 63 V CA -1.251 61.180 62.300 0.219 0.000 0.999 63 V CB 1.772 33.559 31.823 -0.061 0.000 1.049 63 V HN 0.853 nan 8.190 nan 0.000 0.431 64 R N 1.781 122.159 120.500 -0.203 0.000 2.265 64 R HA 0.589 4.927 4.340 -0.004 0.000 0.319 64 R C 0.828 177.006 176.300 -0.204 0.000 1.006 64 R CA -0.745 55.198 56.100 -0.262 0.000 0.880 64 R CB 1.279 31.317 30.300 -0.435 0.000 1.077 64 R HN 0.771 nan 8.270 nan 0.000 0.454 65 L N 3.134 124.271 121.223 -0.144 0.000 2.197 65 L HA -0.231 4.107 4.340 -0.004 0.000 0.215 65 L C 1.844 178.632 176.870 -0.137 0.000 1.095 65 L CA 1.998 56.761 54.840 -0.128 0.000 0.764 65 L CB -1.285 40.724 42.059 -0.084 0.000 0.897 65 L HN 0.893 nan 8.230 nan 0.000 0.436 66 A N 0.645 123.378 122.820 -0.144 0.000 1.859 66 A HA -0.313 4.005 4.320 -0.004 0.000 0.218 66 A C 1.865 179.363 177.584 -0.144 0.000 1.242 66 A CA 2.398 54.353 52.037 -0.137 0.000 0.661 66 A CB -1.235 17.673 19.000 -0.154 0.000 0.842 66 A HN 0.530 nan 8.150 nan 0.000 0.455 67 D N -0.627 119.666 120.400 -0.178 0.000 2.354 67 D HA -0.085 4.553 4.640 -0.004 0.000 0.216 67 D C 1.298 177.491 176.300 -0.178 0.000 0.970 67 D CA 0.727 54.628 54.000 -0.164 0.000 0.905 67 D CB -0.261 40.436 40.800 -0.171 0.000 0.903 67 D HN 0.318 nan 8.370 nan 0.000 0.508 68 I N 0.815 121.254 120.570 -0.219 0.000 2.546 68 I HA -0.066 4.101 4.170 -0.004 0.000 0.255 68 I C 2.174 178.218 176.117 -0.122 0.000 1.163 68 I CA 0.234 61.395 61.300 -0.233 0.000 1.457 68 I CB -0.530 37.309 38.000 -0.267 0.000 1.092 68 I HN 0.043 nan 8.210 nan 0.000 0.434 69 A N -1.103 121.659 122.820 -0.096 0.000 2.119 69 A HA -0.049 4.269 4.320 -0.004 0.000 0.216 69 A C 2.352 179.908 177.584 -0.048 0.000 1.152 69 A CA 1.117 53.118 52.037 -0.061 0.000 0.708 69 A CB -0.583 18.383 19.000 -0.057 0.000 0.805 69 A HN 0.359 nan 8.150 nan 0.000 0.460 70 S N -0.528 115.139 115.700 -0.055 0.000 2.440 70 S HA 0.042 4.510 4.470 -0.004 0.000 0.238 70 S C 1.744 176.333 174.600 -0.017 0.000 1.010 70 S CA 0.960 59.139 58.200 -0.036 0.000 0.972 70 S CB -0.604 62.573 63.200 -0.039 0.000 0.774 70 S HN 1.538 nan 8.310 nan 0.000 0.501 71 G N 1.264 110.055 108.800 -0.014 0.000 2.280 71 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.282 71 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.282 71 G C -0.051 174.866 174.900 0.028 0.000 1.000 71 G CA 0.823 45.931 45.100 0.012 0.000 0.751 71 G HN 0.575 nan 8.290 nan 0.000 0.515 72 Q N 0.179 119.995 119.800 0.028 0.000 2.342 72 Q HA 0.480 4.818 4.340 -0.004 0.000 0.267 72 Q C -2.379 173.655 176.000 0.057 0.000 1.038 72 Q CA -2.235 53.586 55.803 0.030 0.000 0.832 72 Q CB 2.295 31.040 28.738 0.012 0.000 1.323 72 Q HN 0.110 nan 8.270 nan 0.000 0.448 73 P HA -0.103 nan 4.420 nan 0.000 0.263 73 P C -0.897 176.446 177.300 0.072 0.000 1.162 73 P CA 0.901 64.031 63.100 0.050 0.000 0.758 73 P CB 0.262 31.966 31.700 0.008 0.000 0.773 74 L N 5.277 126.573 121.223 0.122 0.000 2.305 74 L HA 0.435 4.773 4.340 -0.004 0.000 0.284 74 L C -2.110 174.806 176.870 0.076 0.000 1.013 74 L CA -2.399 52.513 54.840 0.120 0.000 0.819 74 L CB 2.037 44.214 42.059 0.198 0.000 1.227 74 L HN 0.181 nan 8.230 nan 0.000 0.417 75 P HA 0.094 nan 4.420 nan 0.000 0.281 75 P C -0.437 176.908 177.300 0.075 0.000 1.249 75 P CA -0.473 62.655 63.100 0.048 0.000 0.810 75 P CB 1.499 33.226 31.700 0.044 0.000 1.008 76 V N -0.334 119.618 119.914 0.062 0.000 2.364 76 V HA 0.356 4.474 4.120 -0.004 0.000 0.252 76 V C 1.418 177.525 176.094 0.022 0.000 1.075 76 V CA 0.360 62.700 62.300 0.067 0.000 1.033 76 V CB -0.621 31.257 31.823 0.092 0.000 1.116 76 V HN 0.640 nan 8.190 nan 0.000 0.488 77 A N 4.204 127.031 122.820 0.011 0.000 1.969 77 A HA 0.491 4.809 4.320 -0.004 0.000 0.218 77 A C 1.440 178.943 177.584 -0.135 0.000 1.169 77 A CA 1.426 53.458 52.037 -0.008 0.000 0.635 77 A CB -0.450 18.599 19.000 0.081 0.000 0.810 77 A HN 1.598 nan 8.150 nan 0.000 0.445 78 G N -1.608 106.967 108.800 -0.375 0.000 2.570 78 G HA2 0.522 4.480 3.960 -0.004 0.000 0.310 78 G HA3 0.522 4.480 3.960 -0.004 0.000 0.310 78 G C -1.575 173.040 174.900 -0.475 0.000 1.266 78 G CA -0.117 44.671 45.100 -0.519 0.000 0.825 78 G HN 0.726 nan 8.290 nan 0.000 0.483 79 K N -1.630 118.553 120.400 -0.362 0.000 2.546 79 K HA 0.748 5.066 4.320 -0.004 0.000 0.264 79 K C -1.308 175.262 176.600 -0.050 0.000 0.937 79 K CA -0.601 55.589 56.287 -0.161 0.000 0.833 79 K CB 1.973 34.504 32.500 0.052 0.000 1.378 79 K HN 0.881 nan 8.250 nan 0.000 0.432 80 S N 3.002 118.637 115.700 -0.109 0.000 2.707 80 S HA 0.703 5.170 4.470 -0.004 0.000 0.303 80 S C -1.469 173.049 174.600 -0.136 0.000 1.132 80 S CA -0.604 57.551 58.200 -0.074 0.000 1.046 80 S CB 0.086 63.210 63.200 -0.128 0.000 1.004 80 S HN 0.486 nan 8.310 nan 0.000 0.483 81 F N 2.376 122.290 119.950 -0.061 0.000 2.671 81 F HA 0.710 5.235 4.527 -0.004 0.000 0.373 81 F C 1.654 177.446 175.800 -0.013 0.000 1.122 81 F CA -0.202 57.775 58.000 -0.038 0.000 1.082 81 F CB 0.786 39.766 39.000 -0.034 0.000 1.399 81 F HN 0.722 nan 8.300 nan 0.000 0.509 82 A N 0.979 123.954 122.820 0.257 0.000 1.826 82 A HA -0.279 4.039 4.320 -0.004 0.000 0.267 82 A C 1.651 179.316 177.584 0.135 0.000 2.510 82 A CA 2.699 54.837 52.037 0.168 0.000 0.865 82 A CB -1.740 17.356 19.000 0.160 0.000 0.830 82 A HN 1.230 nan 8.150 nan 0.000 0.508 83 G N -1.549 107.320 108.800 0.114 0.000 4.552 83 G HA2 0.461 4.419 3.960 -0.004 0.000 0.281 83 G HA3 0.461 4.419 3.960 -0.004 0.000 0.281 83 G C -0.027 174.907 174.900 0.057 0.000 1.037 83 G CA 0.586 45.733 45.100 0.078 0.000 0.806 83 G HN 0.787 nan 8.290 nan 0.000 0.495 84 Q N 0.961 120.803 119.800 0.069 0.000 2.907 84 Q HA 0.310 4.648 4.340 -0.004 0.000 0.262 84 Q C -2.898 173.107 176.000 0.009 0.000 0.997 84 Q CA -2.005 53.841 55.803 0.072 0.000 0.797 84 Q CB 2.031 30.818 28.738 0.082 0.000 1.228 84 Q HN 0.148 nan 8.270 nan 0.000 0.466 85 P HA -0.091 nan 4.420 nan 0.000 0.270 85 P C -0.875 176.216 177.300 -0.349 0.000 1.227 85 P CA -0.081 62.939 63.100 -0.134 0.000 0.788 85 P CB 0.492 32.143 31.700 -0.082 0.000 0.926 86 Y N 2.152 122.223 120.300 -0.382 0.000 2.595 86 Y HA 0.123 4.670 4.550 -0.004 0.000 0.347 86 Y C 0.734 176.420 175.900 -0.356 0.000 1.025 86 Y CA -0.284 57.550 58.100 -0.443 0.000 1.295 86 Y CB -0.550 37.702 38.460 -0.347 0.000 1.147 86 Y HN 0.314 nan 8.280 nan 0.000 0.515 87 H N 4.502 123.300 119.070 -0.453 0.000 2.482 87 H HA 0.669 5.223 4.556 -0.004 0.000 0.231 87 H C 0.089 175.113 175.328 -0.507 0.000 1.612 87 H CA -0.313 55.513 56.048 -0.370 0.000 1.279 87 H CB 0.048 29.686 29.762 -0.206 0.000 1.562 87 H HN 0.789 nan 8.280 nan 0.000 0.553 88 G N 1.480 109.886 108.800 -0.657 0.000 2.550 88 G HA2 0.240 4.198 3.960 -0.004 0.000 0.293 88 G HA3 0.240 4.198 3.960 -0.004 0.000 0.293 88 G C -1.121 173.659 174.900 -0.201 0.000 1.402 88 G CA -1.222 43.596 45.100 -0.470 0.000 0.784 88 G HN 0.432 nan 8.290 nan 0.000 0.482 89 E N -0.664 119.534 120.200 -0.005 0.000 2.653 89 E HA 0.023 4.371 4.350 -0.004 0.000 0.264 89 E C -0.874 175.942 176.600 0.361 0.000 0.949 89 E CA 0.007 56.501 56.400 0.157 0.000 0.953 89 E CB 0.927 30.706 29.700 0.133 0.000 0.925 89 E HN 0.366 nan 8.360 nan 0.000 0.475 90 W N 5.499 126.893 121.300 0.157 0.000 2.286 90 W HA 0.302 4.960 4.660 -0.004 0.000 0.296 90 W C -2.358 174.211 176.519 0.084 0.000 0.911 90 W CA -3.237 54.204 57.345 0.160 0.000 1.761 90 W CB -0.061 29.485 29.460 0.143 0.000 1.820 90 W HN 0.490 nan 8.180 nan 0.000 0.403 91 P HA 0.024 nan 4.420 nan 0.000 0.263 91 P C 0.184 177.517 177.300 0.054 0.000 1.168 91 P CA 0.528 63.728 63.100 0.167 0.000 0.759 91 P CB 0.445 32.242 31.700 0.161 0.000 0.782 92 A N 2.855 125.657 122.820 -0.029 0.000 2.492 92 A HA 0.409 4.727 4.320 -0.004 0.000 0.236 92 A C 1.634 179.179 177.584 -0.064 0.000 1.078 92 A CA 0.538 52.510 52.037 -0.108 0.000 0.773 92 A CB -1.008 17.939 19.000 -0.088 0.000 1.023 92 A HN 0.972 nan 8.150 nan 0.000 0.504 93 G N -0.150 108.591 108.800 -0.098 0.000 2.196 93 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.268 93 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.268 93 G C 0.619 175.524 174.900 0.009 0.000 0.975 93 G CA 1.738 46.809 45.100 -0.048 0.000 0.648 93 G HN 2.212 nan 8.290 nan 0.000 0.538 94 T N -2.330 112.254 114.554 0.049 0.000 2.922 94 T HA 0.732 5.079 4.350 -0.004 0.000 0.281 94 T C 0.400 175.296 174.700 0.326 0.000 1.005 94 T CA -0.032 62.176 62.100 0.181 0.000 0.982 94 T CB 2.413 71.426 68.868 0.241 0.000 1.158 94 T HN 1.724 nan 8.240 nan 0.000 0.566 95 C N 0.384 119.915 119.300 0.385 0.000 3.086 95 C HA 0.800 5.257 4.460 -0.004 0.000 0.311 95 C C -1.051 174.096 174.990 0.261 0.000 1.260 95 C CA -1.177 58.120 59.018 0.465 0.000 1.426 95 C CB 0.391 28.372 27.740 0.401 0.000 1.826 95 C HN 0.862 nan 8.230 nan 0.000 0.474 96 I N 2.394 123.030 120.570 0.111 0.000 2.353 96 I HA 0.462 4.630 4.170 -0.004 0.000 0.293 96 I C 0.527 176.626 176.117 -0.030 0.000 0.992 96 I CA -0.161 61.023 61.300 -0.193 0.000 1.268 96 I CB 1.130 38.768 38.000 -0.603 0.000 1.387 96 I HN 0.865 nan 8.210 nan 0.000 0.478 97 R N 5.953 126.404 120.500 -0.081 0.000 2.489 97 R HA 0.494 4.832 4.340 -0.004 0.000 0.287 97 R C -1.059 175.029 176.300 -0.353 0.000 1.053 97 R CA 0.392 56.350 56.100 -0.237 0.000 1.036 97 R CB 0.259 30.478 30.300 -0.136 0.000 0.966 97 R HN 0.719 nan 8.270 nan 0.000 0.432 98 I N 3.939 124.236 120.570 -0.455 0.000 2.802 98 I HA 0.393 4.560 4.170 -0.004 0.000 0.298 98 I C -1.543 174.240 176.117 -0.557 0.000 1.176 98 I CA -1.264 59.753 61.300 -0.471 0.000 1.025 98 I CB 2.003 39.834 38.000 -0.282 0.000 1.243 98 I HN 0.636 nan 8.210 nan 0.000 0.424 99 M N 4.332 123.534 119.600 -0.663 0.000 2.393 99 M HA 0.420 4.898 4.480 -0.004 0.000 0.316 99 M C -0.274 175.881 176.300 -0.241 0.000 1.087 99 M CA -0.203 54.785 55.300 -0.519 0.000 0.937 99 M CB 1.955 34.089 32.600 -0.776 0.000 1.668 99 M HN 0.561 nan 8.290 nan 0.000 0.438 100 T N 2.823 117.296 114.554 -0.135 0.000 2.897 100 T HA 0.269 4.616 4.350 -0.004 0.000 0.304 100 T C 1.144 175.836 174.700 -0.013 0.000 1.051 100 T CA 1.861 63.927 62.100 -0.056 0.000 1.132 100 T CB -0.170 68.680 68.868 -0.031 0.000 1.066 100 T HN 1.094 nan 8.240 nan 0.000 0.518 101 G N 0.945 109.754 108.800 0.016 0.000 2.184 101 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.264 101 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.264 101 G C 0.204 175.180 174.900 0.126 0.000 0.975 101 G CA 0.171 45.309 45.100 0.063 0.000 0.642 101 G HN 1.259 nan 8.290 nan 0.000 0.536 102 A N 1.022 123.878 122.820 0.059 0.000 2.310 102 A HA 0.778 5.095 4.320 -0.004 0.000 0.299 102 A C -1.849 175.781 177.584 0.075 0.000 1.147 102 A CA -1.311 50.752 52.037 0.043 0.000 0.818 102 A CB 1.051 19.996 19.000 -0.092 0.000 1.096 102 A HN 0.183 nan 8.150 nan 0.000 0.495 103 P HA 0.210 nan 4.420 nan 0.000 0.271 103 P C 0.393 177.677 177.300 -0.028 0.000 1.226 103 P CA 0.095 63.188 63.100 -0.011 0.000 0.765 103 P CB 0.621 32.113 31.700 -0.347 0.000 0.835 104 V N 2.663 122.593 119.914 0.027 0.000 3.332 104 V HA 0.254 4.372 4.120 -0.004 0.000 0.305 104 V C -2.084 173.999 176.094 -0.019 0.000 1.114 104 V CA -1.121 61.182 62.300 0.005 0.000 1.194 104 V CB -0.910 30.947 31.823 0.058 0.000 1.027 104 V HN 0.460 nan 8.190 nan 0.000 0.492 105 P HA 0.283 nan 4.420 nan 0.000 0.280 105 P C -0.556 176.799 177.300 0.092 0.000 1.272 105 P CA -0.568 62.498 63.100 -0.057 0.000 0.819 105 P CB 0.550 32.053 31.700 -0.327 0.000 1.122 106 E N 0.459 120.737 120.200 0.129 0.000 2.480 106 E HA 0.122 4.470 4.350 -0.004 0.000 0.258 106 E C 1.273 178.058 176.600 0.308 0.000 0.984 106 E CA 1.404 57.911 56.400 0.178 0.000 0.930 106 E CB -0.445 29.341 29.700 0.143 0.000 0.936 106 E HN 0.791 nan 8.360 nan 0.000 0.466 107 G N 3.442 112.374 108.800 0.220 0.000 2.155 107 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.257 107 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.257 107 G C 0.671 175.714 174.900 0.238 0.000 0.983 107 G CA 0.251 45.465 45.100 0.189 0.000 0.676 107 G HN 0.745 nan 8.290 nan 0.000 0.528 108 C N -0.010 119.509 119.300 0.366 0.000 2.657 108 C HA 0.570 5.028 4.460 -0.004 0.000 0.420 108 C C 1.652 176.746 174.990 0.174 0.000 1.323 108 C CA 0.882 60.129 59.018 0.382 0.000 1.894 108 C CB 0.437 28.371 27.740 0.325 0.000 2.681 108 C HN 0.575 nan 8.230 nan 0.000 0.613 109 E N 2.152 122.423 120.200 0.118 0.000 2.465 109 E HA 0.397 4.744 4.350 -0.004 0.000 0.209 109 E C 0.378 177.011 176.600 0.054 0.000 0.951 109 E CA 0.557 56.989 56.400 0.054 0.000 0.997 109 E CB 0.801 30.501 29.700 -0.001 0.000 1.025 109 E HN 0.883 nan 8.360 nan 0.000 0.500 110 A N 0.063 122.931 122.820 0.080 0.000 2.586 110 A HA 0.617 4.935 4.320 -0.004 0.000 0.290 110 A C -1.619 176.025 177.584 0.099 0.000 1.086 110 A CA -0.626 51.452 52.037 0.068 0.000 0.665 110 A CB 1.414 20.435 19.000 0.036 0.000 1.279 110 A HN -0.050 nan 8.150 nan 0.000 0.423 111 V N 0.167 120.134 119.914 0.089 0.000 2.709 111 V HA 0.652 4.770 4.120 -0.004 0.000 0.308 111 V C -0.811 175.357 176.094 0.125 0.000 1.062 111 V CA -0.600 61.764 62.300 0.106 0.000 0.901 111 V CB 1.807 33.665 31.823 0.059 0.000 1.003 111 V HN 0.894 nan 8.190 nan 0.000 0.425 112 V N 4.667 124.697 119.914 0.193 0.000 2.444 112 V HA 0.436 4.554 4.120 -0.004 0.000 0.294 112 V C 0.231 176.426 176.094 0.168 0.000 1.022 112 V CA -0.724 61.706 62.300 0.217 0.000 0.850 112 V CB 1.679 33.731 31.823 0.382 0.000 0.992 112 V HN 0.997 nan 8.190 nan 0.000 0.426 113 M N 3.438 123.097 119.600 0.098 0.000 2.261 113 M HA 0.128 4.606 4.480 -0.004 0.000 0.350 113 M C 1.288 177.641 176.300 0.088 0.000 1.343 113 M CA 0.318 55.651 55.300 0.055 0.000 1.003 113 M CB 0.295 32.917 32.600 0.037 0.000 1.848 113 M HN 0.877 nan 8.290 nan 0.000 0.456 114 Q N 2.230 122.068 119.800 0.063 0.000 2.364 114 Q HA -0.186 4.152 4.340 -0.004 0.000 0.209 114 Q C 0.420 176.460 176.000 0.067 0.000 0.977 114 Q CA 2.189 58.072 55.803 0.133 0.000 0.885 114 Q CB -0.232 28.569 28.738 0.105 0.000 0.941 114 Q HN 0.936 nan 8.270 nan 0.000 0.464 115 E N 1.101 121.325 120.200 0.039 0.000 2.371 115 E HA -0.094 4.254 4.350 -0.004 0.000 0.194 115 E C 1.261 177.873 176.600 0.020 0.000 1.012 115 E CA 0.768 57.181 56.400 0.022 0.000 0.860 115 E CB -0.017 29.693 29.700 0.017 0.000 0.811 115 E HN 0.500 nan 8.360 nan 0.000 0.502 116 Q N 1.005 120.826 119.800 0.034 0.000 2.247 116 Q HA 0.049 4.387 4.340 -0.004 0.000 0.205 116 Q C -0.669 175.342 176.000 0.018 0.000 0.896 116 Q CA 0.289 56.116 55.803 0.040 0.000 0.950 116 Q CB 0.319 29.097 28.738 0.067 0.000 1.054 116 Q HN 0.185 nan 8.270 nan 0.000 0.482 117 T N -2.713 111.817 114.554 -0.040 0.000 3.348 117 T HA 0.260 4.608 4.350 -0.004 0.000 0.328 117 T C -0.895 173.700 174.700 -0.175 0.000 0.913 117 T CA -0.924 61.065 62.100 -0.184 0.000 1.043 117 T CB 1.248 69.838 68.868 -0.464 0.000 1.021 117 T HN 0.118 nan 8.240 nan 0.000 0.461 118 E N 2.597 122.718 120.200 -0.131 0.000 2.366 118 E HA 0.293 4.641 4.350 -0.004 0.000 0.266 118 E C 0.523 177.031 176.600 -0.153 0.000 1.015 118 E CA 0.119 56.459 56.400 -0.101 0.000 0.906 118 E CB 0.653 30.316 29.700 -0.062 0.000 0.979 118 E HN 0.578 nan 8.360 nan 0.000 0.443 119 Q N 2.987 122.716 119.800 -0.118 0.000 2.335 119 Q HA 0.568 4.906 4.340 -0.004 0.000 0.180 119 Q C -0.312 175.629 176.000 -0.098 0.000 1.101 119 Q CA 0.142 55.865 55.803 -0.133 0.000 1.165 119 Q CB 0.512 29.221 28.738 -0.049 0.000 1.220 119 Q HN 0.756 nan 8.270 nan 0.000 0.626 120 M N -1.224 118.331 119.600 -0.076 0.000 3.196 120 M HA 0.163 4.641 4.480 -0.004 0.000 0.279 120 M C -1.289 174.994 176.300 -0.029 0.000 1.173 120 M CA -0.425 54.846 55.300 -0.049 0.000 0.820 120 M CB 1.824 34.392 32.600 -0.054 0.000 1.621 120 M HN 0.477 nan 8.290 nan 0.000 0.521 121 D N 0.664 121.053 120.400 -0.018 0.000 2.342 121 D HA 0.236 4.873 4.640 -0.004 0.000 0.221 121 D C -0.171 176.126 176.300 -0.005 0.000 1.101 121 D CA 0.438 54.434 54.000 -0.007 0.000 0.837 121 D CB 0.104 40.902 40.800 -0.003 0.000 0.938 121 D HN 0.571 nan 8.370 nan 0.000 0.508 122 N N -0.307 118.386 118.700 -0.011 0.000 2.073 122 N HA 0.245 4.983 4.740 -0.004 0.000 0.227 122 N C 0.541 176.045 175.510 -0.009 0.000 1.367 122 N CA -0.422 52.625 53.050 -0.005 0.000 0.775 122 N CB 2.034 40.519 38.487 -0.003 0.000 1.234 122 N HN 0.037 nan 8.380 nan 0.000 0.512 123 G N 0.337 109.122 108.800 -0.026 0.000 2.339 123 G HA2 0.244 4.202 3.960 -0.004 0.000 0.302 123 G HA3 0.244 4.202 3.960 -0.004 0.000 0.302 123 G C -2.061 172.778 174.900 -0.102 0.000 1.425 123 G CA -0.594 44.484 45.100 -0.036 0.000 0.899 123 G HN -0.038 nan 8.290 nan 0.000 0.619 124 V N 1.543 121.370 119.914 -0.146 0.000 2.347 124 V HA 0.575 4.692 4.120 -0.004 0.000 0.280 124 V C 0.566 176.471 176.094 -0.315 0.000 1.021 124 V CA -0.722 61.351 62.300 -0.378 0.000 0.847 124 V CB 1.352 32.740 31.823 -0.725 0.000 0.990 124 V HN 0.700 nan 8.190 nan 0.000 0.444 125 R N 3.683 123.991 120.500 -0.320 0.000 2.265 125 R HA 0.499 4.837 4.340 -0.004 0.000 0.319 125 R C -0.966 175.169 176.300 -0.275 0.000 1.006 125 R CA -0.223 55.788 56.100 -0.148 0.000 0.880 125 R CB 0.800 31.047 30.300 -0.087 0.000 1.077 125 R HN 0.507 nan 8.270 nan 0.000 0.454 126 F N 0.546 120.459 119.950 -0.062 0.000 2.272 126 F HA 0.439 4.964 4.527 -0.004 0.000 0.316 126 F C 1.372 177.159 175.800 -0.022 0.000 1.068 126 F CA 0.020 57.995 58.000 -0.042 0.000 1.114 126 F CB 0.929 39.908 39.000 -0.035 0.000 1.611 126 F HN 0.481 nan 8.300 nan 0.000 0.519 127 T N -1.503 113.168 114.554 0.195 0.000 2.631 127 T HA 0.453 4.801 4.350 -0.004 0.000 0.217 127 T C -0.756 173.998 174.700 0.091 0.000 0.958 127 T CA -0.193 61.965 62.100 0.097 0.000 1.308 127 T CB -0.603 68.297 68.868 0.053 0.000 1.866 127 T HN 0.582 nan 8.240 nan 0.000 0.429 128 A N 1.693 124.554 122.820 0.068 0.000 2.600 128 A HA 0.257 4.575 4.320 -0.004 0.000 0.244 128 A C 0.364 177.982 177.584 0.057 0.000 1.016 128 A CA 0.306 52.374 52.037 0.053 0.000 0.778 128 A CB -0.625 18.402 19.000 0.045 0.000 0.920 128 A HN 0.583 nan 8.150 nan 0.000 0.513 129 E N 1.244 121.465 120.200 0.035 0.000 2.565 129 E HA 0.147 4.495 4.350 -0.004 0.000 0.268 129 E C -0.416 176.198 176.600 0.024 0.000 1.000 129 E CA 0.594 57.007 56.400 0.021 0.000 0.964 129 E CB 0.344 30.048 29.700 0.007 0.000 0.955 129 E HN 0.408 nan 8.360 nan 0.000 0.459 130 V N 5.701 125.619 119.914 0.007 0.000 2.270 130 V HA 0.249 4.367 4.120 -0.004 0.000 0.263 130 V C 0.454 176.547 176.094 -0.002 0.000 1.066 130 V CA -0.512 61.793 62.300 0.010 0.000 0.857 130 V CB 0.468 32.280 31.823 -0.017 0.000 1.099 130 V HN 0.587 nan 8.190 nan 0.000 0.476 131 R N 2.296 122.801 120.500 0.008 0.000 2.698 131 R HA 0.134 4.472 4.340 -0.004 0.000 0.266 131 R C 0.792 177.095 176.300 0.005 0.000 1.026 131 R CA 0.533 56.636 56.100 0.004 0.000 1.102 131 R CB 0.402 30.707 30.300 0.009 0.000 0.978 131 R HN 0.691 nan 8.270 nan 0.000 0.436 132 S N 0.971 116.672 115.700 0.000 0.000 2.579 132 S HA 0.343 4.811 4.470 -0.004 0.000 0.275 132 S C 1.056 175.663 174.600 0.012 0.000 1.345 132 S CA 0.701 58.903 58.200 0.002 0.000 1.031 132 S CB 0.791 63.990 63.200 -0.003 0.000 0.892 132 S HN 0.806 nan 8.310 nan 0.000 0.529 133 G N 2.111 110.922 108.800 0.018 0.000 2.220 133 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.269 133 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.269 133 G C 0.110 175.027 174.900 0.028 0.000 0.977 133 G CA 0.796 45.911 45.100 0.024 0.000 0.634 133 G HN 1.017 nan 8.290 nan 0.000 0.539 134 Q N 0.150 119.967 119.800 0.028 0.000 2.286 134 Q HA 0.376 4.714 4.340 -0.004 0.000 0.290 134 Q C 0.551 176.572 176.000 0.035 0.000 1.049 134 Q CA 0.335 56.156 55.803 0.030 0.000 0.923 134 Q CB 0.207 28.964 28.738 0.032 0.000 1.183 134 Q HN 0.358 nan 8.270 nan 0.000 0.383 135 N N 1.426 120.143 118.700 0.028 0.000 2.740 135 N HA -0.168 4.569 4.740 -0.004 0.000 0.248 135 N C -1.412 174.114 175.510 0.027 0.000 1.062 135 N CA 1.173 54.238 53.050 0.025 0.000 0.704 135 N CB -1.548 36.956 38.487 0.029 0.000 0.968 135 N HN 0.659 nan 8.380 nan 0.000 0.547 136 I N 0.063 120.650 120.570 0.028 0.000 2.498 136 I HA 0.361 4.529 4.170 -0.004 0.000 0.290 136 I C 0.227 176.359 176.117 0.024 0.000 1.032 136 I CA -0.716 60.604 61.300 0.034 0.000 1.073 136 I CB 1.987 40.013 38.000 0.044 0.000 1.251 136 I HN -0.168 nan 8.210 nan 0.000 0.426 137 R N 5.573 126.087 120.500 0.023 0.000 2.387 137 R HA 0.545 4.882 4.340 -0.004 0.000 0.314 137 R C -0.856 175.451 176.300 0.011 0.000 0.958 137 R CA -0.895 55.208 56.100 0.006 0.000 0.846 137 R CB 1.618 31.913 30.300 -0.010 0.000 1.147 137 R HN 0.451 nan 8.270 nan 0.000 0.447 138 R N 3.010 123.513 120.500 0.004 0.000 2.312 138 R HA 0.191 4.528 4.340 -0.004 0.000 0.311 138 R C 0.096 176.392 176.300 -0.006 0.000 1.004 138 R CA -0.847 55.261 56.100 0.014 0.000 0.902 138 R CB 1.293 31.601 30.300 0.014 0.000 1.073 138 R HN 0.661 nan 8.270 nan 0.000 0.457 139 R N 0.709 121.212 120.500 0.005 0.000 2.538 139 R HA -0.058 4.280 4.340 -0.004 0.000 0.273 139 R C 0.534 176.817 176.300 -0.028 0.000 0.967 139 R CA 1.264 57.350 56.100 -0.023 0.000 1.101 139 R CB -0.050 30.261 30.300 0.018 0.000 0.908 139 R HN 0.885 nan 8.270 nan 0.000 0.411 140 G N 2.279 111.048 108.800 -0.051 0.000 2.168 140 G HA2 -0.389 3.569 3.960 -0.004 0.000 0.257 140 G HA3 -0.389 3.569 3.960 -0.004 0.000 0.257 140 G C 0.548 175.424 174.900 -0.040 0.000 0.997 140 G CA 0.674 45.748 45.100 -0.043 0.000 0.708 140 G HN 0.915 nan 8.290 nan 0.000 0.520 141 E N -0.379 119.796 120.200 -0.042 0.000 2.107 141 E HA -0.095 4.252 4.350 -0.004 0.000 0.191 141 E C 1.773 178.348 176.600 -0.042 0.000 0.982 141 E CA 1.291 57.670 56.400 -0.035 0.000 0.809 141 E CB 0.006 29.688 29.700 -0.030 0.000 0.756 141 E HN 0.488 nan 8.360 nan 0.000 0.459 142 D N 0.151 120.519 120.400 -0.053 0.000 2.146 142 D HA 0.096 4.733 4.640 -0.004 0.000 0.209 142 D C 0.472 176.732 176.300 -0.067 0.000 0.973 142 D CA 0.922 54.888 54.000 -0.057 0.000 0.860 142 D CB 0.453 41.218 40.800 -0.059 0.000 1.015 142 D HN 0.173 nan 8.370 nan 0.000 0.465 143 I N 0.427 120.956 120.570 -0.069 0.000 2.534 143 I HA 0.151 4.319 4.170 -0.004 0.000 0.288 143 I C -0.754 175.329 176.117 -0.057 0.000 1.077 143 I CA -0.672 60.584 61.300 -0.072 0.000 1.051 143 I CB 2.348 40.298 38.000 -0.083 0.000 1.234 143 I HN -0.216 nan 8.210 nan 0.000 0.425 144 S N 4.284 119.954 115.700 -0.050 0.000 2.457 144 S HA 0.772 5.240 4.470 -0.004 0.000 0.289 144 S C 0.176 174.757 174.600 -0.031 0.000 1.163 144 S CA -0.874 57.304 58.200 -0.036 0.000 1.078 144 S CB 1.613 64.795 63.200 -0.030 0.000 0.987 144 S HN 0.756 nan 8.310 nan 0.000 0.482 145 A N 2.419 125.225 122.820 -0.023 0.000 2.561 145 A HA 0.511 4.829 4.320 -0.004 0.000 0.234 145 A C 1.585 179.160 177.584 -0.014 0.000 1.055 145 A CA 0.264 52.291 52.037 -0.017 0.000 0.756 145 A CB -1.118 17.877 19.000 -0.009 0.000 0.986 145 A HN 2.351 nan 8.150 nan 0.000 0.505 146 G N 0.158 108.950 108.800 -0.013 0.000 2.225 146 G HA2 0.130 4.088 3.960 -0.004 0.000 0.254 146 G HA3 0.130 4.088 3.960 -0.004 0.000 0.254 146 G C 0.649 175.539 174.900 -0.017 0.000 0.988 146 G CA 0.731 45.825 45.100 -0.011 0.000 0.625 146 G HN 2.203 nan 8.290 nan 0.000 0.527 147 A N -0.428 122.375 122.820 -0.027 0.000 2.257 147 A HA 0.759 5.077 4.320 -0.004 0.000 0.289 147 A C 0.422 177.979 177.584 -0.045 0.000 1.095 147 A CA 0.212 52.227 52.037 -0.036 0.000 0.836 147 A CB 1.316 20.288 19.000 -0.047 0.000 1.111 147 A HN 1.069 nan 8.150 nan 0.000 0.497 148 V N 2.269 122.152 119.914 -0.052 0.000 2.339 148 V HA 0.102 4.220 4.120 -0.004 0.000 0.261 148 V C 1.133 177.157 176.094 -0.116 0.000 1.058 148 V CA 0.035 62.302 62.300 -0.054 0.000 0.897 148 V CB 0.504 32.307 31.823 -0.033 0.000 1.052 148 V HN 0.709 nan 8.190 nan 0.000 0.480 149 V N 5.565 125.389 119.914 -0.149 0.000 2.244 149 V HA -0.017 4.101 4.120 -0.004 0.000 0.244 149 V C 0.493 176.240 176.094 -0.578 0.000 1.042 149 V CA 1.591 63.666 62.300 -0.374 0.000 1.006 149 V CB -0.354 31.267 31.823 -0.336 0.000 0.641 149 V HN 0.643 nan 8.190 nan 0.000 0.446 150 F N 1.030 120.972 119.950 -0.013 0.000 2.562 150 F HA 0.519 5.043 4.527 -0.004 0.000 0.319 150 F C -2.478 173.313 175.800 -0.015 0.000 1.154 150 F CA -2.340 55.651 58.000 -0.016 0.000 0.931 150 F CB 1.982 40.971 39.000 -0.019 0.000 1.198 150 F HN -0.048 nan 8.300 nan 0.000 0.444 151 P HA 0.183 nan 4.420 nan 0.000 0.272 151 P C -0.669 176.674 177.300 0.072 0.000 1.240 151 P CA -0.337 62.813 63.100 0.084 0.000 0.791 151 P CB 0.808 32.541 31.700 0.055 0.000 0.978 152 A N 0.295 123.140 122.820 0.042 0.000 2.462 152 A HA 0.466 4.784 4.320 -0.004 0.000 0.243 152 A C 1.341 178.935 177.584 0.016 0.000 1.076 152 A CA 0.672 52.725 52.037 0.026 0.000 0.773 152 A CB -1.307 17.705 19.000 0.019 0.000 1.010 152 A HN 0.880 nan 8.150 nan 0.000 0.493 153 G N 1.377 110.179 108.800 0.003 0.000 2.179 153 G HA2 -0.162 3.796 3.960 -0.004 0.000 0.220 153 G HA3 -0.162 3.796 3.960 -0.004 0.000 0.220 153 G C 0.349 175.237 174.900 -0.020 0.000 0.990 153 G CA 0.256 45.352 45.100 -0.008 0.000 0.646 153 G HN 1.120 nan 8.290 nan 0.000 0.517 154 T N 1.038 115.580 114.554 -0.021 0.000 2.856 154 T HA 0.498 4.846 4.350 -0.004 0.000 0.292 154 T C 0.499 175.139 174.700 -0.100 0.000 0.980 154 T CA -0.296 61.776 62.100 -0.045 0.000 1.091 154 T CB 1.536 70.388 68.868 -0.027 0.000 0.936 154 T HN 0.454 nan 8.240 nan 0.000 0.503 155 R N 3.658 124.085 120.500 -0.121 0.000 2.248 155 R HA 0.298 4.636 4.340 -0.004 0.000 0.328 155 R C -0.301 175.846 176.300 -0.255 0.000 1.067 155 R CA -0.391 55.607 56.100 -0.170 0.000 0.924 155 R CB 0.014 30.222 30.300 -0.153 0.000 1.013 155 R HN 0.581 nan 8.270 nan 0.000 0.454 156 L N 3.601 124.648 121.223 -0.293 0.000 2.417 156 L HA 0.336 4.674 4.340 -0.004 0.000 0.268 156 L C 0.400 176.976 176.870 -0.490 0.000 1.158 156 L CA 0.080 54.706 54.840 -0.357 0.000 0.819 156 L CB 1.522 43.416 42.059 -0.276 0.000 1.112 156 L HN 0.774 nan 8.230 nan 0.000 0.458 157 T N -1.059 113.239 114.554 -0.426 0.000 2.671 157 T HA 0.117 4.465 4.350 -0.004 0.000 0.300 157 T C 0.809 175.453 174.700 -0.093 0.000 1.238 157 T CA -0.477 61.361 62.100 -0.437 0.000 1.020 157 T CB 1.647 70.330 68.868 -0.307 0.000 1.503 157 T HN 0.588 nan 8.240 nan 0.000 0.497 158 T N 1.502 116.134 114.554 0.130 0.000 2.929 158 T HA -0.025 4.323 4.350 -0.004 0.000 0.271 158 T C 2.018 176.743 174.700 0.043 0.000 1.085 158 T CA 1.232 63.404 62.100 0.120 0.000 1.125 158 T CB -0.378 68.585 68.868 0.158 0.000 0.874 158 T HN 0.627 nan 8.240 nan 0.000 0.494 159 A N 1.089 123.913 122.820 0.007 0.000 2.015 159 A HA -0.036 4.282 4.320 -0.004 0.000 0.219 159 A C 2.088 179.667 177.584 -0.009 0.000 1.163 159 A CA 1.310 53.354 52.037 0.012 0.000 0.646 159 A CB -0.157 18.849 19.000 0.010 0.000 0.806 159 A HN 0.461 nan 8.150 nan 0.000 0.448 160 E N -0.984 119.120 120.200 -0.160 0.000 2.354 160 E HA 0.241 4.588 4.350 -0.004 0.000 0.203 160 E C 1.740 178.214 176.600 -0.210 0.000 0.841 160 E CA 0.045 56.206 56.400 -0.398 0.000 1.046 160 E CB -0.263 28.816 29.700 -1.034 0.000 1.040 160 E HN 0.405 nan 8.360 nan 0.000 0.504 161 L N 1.463 122.591 121.223 -0.158 0.000 2.013 161 L HA -0.157 4.181 4.340 -0.004 0.000 0.212 161 L C -0.729 176.147 176.870 0.008 0.000 1.073 161 L CA 1.662 56.465 54.840 -0.062 0.000 0.753 161 L CB -1.271 40.774 42.059 -0.024 0.000 0.890 161 L HN 0.166 nan 8.230 nan 0.000 0.432 162 P HA -0.113 nan 4.420 nan 0.000 0.218 162 P C 1.855 179.198 177.300 0.071 0.000 1.149 162 P CA 0.953 64.082 63.100 0.048 0.000 0.817 162 P CB 0.073 31.802 31.700 0.048 0.000 0.785 163 V N -0.260 119.724 119.914 0.116 0.000 2.307 163 V HA -0.229 3.889 4.120 -0.004 0.000 0.245 163 V C 2.332 178.514 176.094 0.146 0.000 1.045 163 V CA 1.596 63.990 62.300 0.157 0.000 1.024 163 V CB -1.102 30.895 31.823 0.290 0.000 0.651 163 V HN 0.037 nan 8.190 nan 0.000 0.449 164 I N 0.693 121.367 120.570 0.174 0.000 2.194 164 I HA -0.313 3.855 4.170 -0.004 0.000 0.246 164 I C 2.601 178.761 176.117 0.071 0.000 1.093 164 I CA 1.712 63.088 61.300 0.126 0.000 1.355 164 I CB -0.532 37.524 38.000 0.093 0.000 1.046 164 I HN 0.305 nan 8.210 nan 0.000 0.413 165 A N 0.246 123.100 122.820 0.056 0.000 1.969 165 A HA -0.207 4.111 4.320 -0.004 0.000 0.218 165 A C 2.480 180.086 177.584 0.038 0.000 1.169 165 A CA 1.904 53.965 52.037 0.040 0.000 0.635 165 A CB -0.747 18.274 19.000 0.035 0.000 0.810 165 A HN 0.529 nan 8.150 nan 0.000 0.445 166 S N 0.200 115.926 115.700 0.042 0.000 2.402 166 S HA -0.046 4.422 4.470 -0.004 0.000 0.229 166 S C 1.591 176.205 174.600 0.024 0.000 1.021 166 S CA 1.265 59.484 58.200 0.031 0.000 0.974 166 S CB -0.669 62.549 63.200 0.030 0.000 0.800 166 S HN 0.468 nan 8.310 nan 0.000 0.484 167 L N 1.025 122.266 121.223 0.031 0.000 2.610 167 L HA 0.282 4.620 4.340 -0.004 0.000 0.232 167 L C 1.983 178.867 176.870 0.022 0.000 1.149 167 L CA 0.401 55.254 54.840 0.022 0.000 0.872 167 L CB -1.131 40.943 42.059 0.026 0.000 0.992 167 L HN 0.642 nan 8.230 nan 0.000 0.447 168 G N 0.682 109.497 108.800 0.025 0.000 2.176 168 G HA2 -0.282 3.676 3.960 -0.004 0.000 0.253 168 G HA3 -0.282 3.676 3.960 -0.004 0.000 0.253 168 G C 0.265 175.180 174.900 0.024 0.000 0.979 168 G CA -0.253 44.861 45.100 0.023 0.000 0.641 168 G HN 0.300 nan 8.290 nan 0.000 0.530 169 I N 1.216 121.804 120.570 0.029 0.000 2.496 169 I HA 0.436 4.604 4.170 -0.004 0.000 0.285 169 I C 1.588 177.721 176.117 0.026 0.000 1.080 169 I CA 0.387 61.704 61.300 0.028 0.000 1.404 169 I CB 1.488 39.509 38.000 0.035 0.000 1.403 169 I HN 0.167 nan 8.210 nan 0.000 0.539 170 A N 5.660 128.493 122.820 0.021 0.000 2.115 170 A HA 0.164 4.481 4.320 -0.004 0.000 0.211 170 A C 0.385 177.979 177.584 0.017 0.000 1.169 170 A CA 0.446 52.495 52.037 0.019 0.000 0.787 170 A CB 0.034 19.044 19.000 0.017 0.000 0.858 170 A HN 0.805 nan 8.150 nan 0.000 0.474 171 E N -0.830 119.380 120.200 0.017 0.000 2.372 171 E HA 0.548 4.895 4.350 -0.004 0.000 0.279 171 E C -1.114 175.495 176.600 0.014 0.000 0.946 171 E CA -1.000 55.408 56.400 0.014 0.000 0.769 171 E CB 1.930 31.638 29.700 0.013 0.000 1.230 171 E HN 0.228 nan 8.360 nan 0.000 0.442 172 V N -2.287 117.633 119.914 0.010 0.000 3.001 172 V HA 0.723 4.840 4.120 -0.004 0.000 0.314 172 V C -2.694 173.403 176.094 0.005 0.000 1.099 172 V CA -2.812 59.494 62.300 0.009 0.000 0.989 172 V CB 1.605 33.429 31.823 0.003 0.000 1.040 172 V HN 0.643 nan 8.190 nan 0.000 0.434 173 P HA 0.431 nan 4.420 nan 0.000 0.281 173 P C -0.616 176.684 177.300 -0.001 0.000 1.252 173 P CA -0.069 63.034 63.100 0.005 0.000 0.778 173 P CB 1.472 33.177 31.700 0.009 0.000 0.895 174 V N 1.628 121.540 119.914 -0.003 0.000 3.001 174 V HA 0.532 4.649 4.120 -0.004 0.000 0.314 174 V C 0.293 176.385 176.094 -0.003 0.000 1.099 174 V CA -1.443 60.852 62.300 -0.009 0.000 0.989 174 V CB 1.494 33.308 31.823 -0.016 0.000 1.040 174 V HN 0.247 nan 8.190 nan 0.000 0.434 175 I N 2.702 123.269 120.570 -0.005 0.000 2.754 175 I HA 0.306 4.474 4.170 -0.004 0.000 0.285 175 I C 1.195 177.314 176.117 0.003 0.000 1.166 175 I CA 0.135 61.436 61.300 0.002 0.000 1.417 175 I CB 0.607 38.608 38.000 0.001 0.000 1.382 175 I HN 0.926 nan 8.210 nan 0.000 0.588 176 R N 5.650 126.156 120.500 0.010 0.000 2.738 176 R HA 0.235 4.573 4.340 -0.004 0.000 0.268 176 R C -0.672 175.636 176.300 0.012 0.000 1.062 176 R CA -0.545 55.562 56.100 0.012 0.000 1.158 176 R CB 0.368 30.677 30.300 0.015 0.000 1.046 176 R HN 0.399 nan 8.270 nan 0.000 0.493 177 K N 1.482 121.890 120.400 0.013 0.000 2.382 177 K HA 0.088 4.406 4.320 -0.004 0.000 0.275 177 K C -0.246 176.365 176.600 0.019 0.000 1.009 177 K CA -0.494 55.801 56.287 0.013 0.000 0.970 177 K CB 0.976 33.484 32.500 0.014 0.000 0.934 177 K HN 0.312 nan 8.250 nan 0.000 0.479 178 V N 3.711 123.637 119.914 0.020 0.000 2.740 178 V HA 0.011 4.128 4.120 -0.004 0.000 0.303 178 V C 0.626 176.737 176.094 0.029 0.000 1.054 178 V CA 0.042 62.361 62.300 0.031 0.000 1.106 178 V CB 0.257 32.099 31.823 0.031 0.000 0.957 178 V HN 0.666 nan 8.190 nan 0.000 0.486 179 R N 3.363 123.886 120.500 0.038 0.000 2.338 179 R HA 0.695 5.033 4.340 -0.004 0.000 0.317 179 R C -1.368 174.957 176.300 0.041 0.000 0.968 179 R CA -0.597 55.522 56.100 0.031 0.000 0.849 179 R CB 1.751 32.071 30.300 0.032 0.000 1.128 179 R HN 0.496 nan 8.270 nan 0.000 0.448 180 V N 2.012 121.940 119.914 0.022 0.000 2.588 180 V HA 0.606 4.724 4.120 -0.004 0.000 0.304 180 V C -0.204 175.895 176.094 0.007 0.000 1.042 180 V CA -0.867 61.450 62.300 0.027 0.000 0.877 180 V CB 1.803 33.638 31.823 0.020 0.000 0.996 180 V HN 0.931 nan 8.190 nan 0.000 0.425 181 A N 5.037 127.877 122.820 0.034 0.000 2.320 181 A HA 0.950 5.267 4.320 -0.004 0.000 0.334 181 A C -0.963 176.627 177.584 0.010 0.000 1.147 181 A CA -0.647 51.417 52.037 0.046 0.000 0.820 181 A CB 1.403 20.466 19.000 0.106 0.000 1.218 181 A HN 0.828 nan 8.150 nan 0.000 0.482 182 L N 2.698 123.938 121.223 0.029 0.000 2.580 182 L HA 0.679 5.017 4.340 -0.004 0.000 0.266 182 L C -1.949 174.957 176.870 0.061 0.000 0.955 182 L CA -0.476 54.327 54.840 -0.061 0.000 0.886 182 L CB 1.417 43.438 42.059 -0.063 0.000 1.263 182 L HN 0.926 nan 8.230 nan 0.000 0.406 183 F N 1.739 121.667 119.950 -0.036 0.000 2.686 183 F HA 0.818 5.344 4.527 -0.003 0.000 0.311 183 F C -0.678 175.106 175.800 -0.027 0.000 1.128 183 F CA -0.747 57.230 58.000 -0.038 0.000 0.946 183 F CB 1.466 40.422 39.000 -0.073 0.000 1.336 183 F HN 0.345 nan 8.300 nan 0.000 0.457 184 S N 0.031 115.887 115.700 0.260 0.000 2.715 184 S HA 0.908 5.376 4.470 -0.004 0.000 0.307 184 S C -0.883 173.853 174.600 0.227 0.000 1.119 184 S CA -0.469 57.834 58.200 0.171 0.000 0.937 184 S CB 1.907 65.155 63.200 0.080 0.000 1.150 184 S HN 1.204 nan 8.310 nan 0.000 0.521 185 T N -1.261 113.386 114.554 0.155 0.000 2.885 185 T HA 0.686 5.034 4.350 -0.004 0.000 0.322 185 T C -0.773 173.980 174.700 0.089 0.000 1.387 185 T CA 0.375 62.553 62.100 0.130 0.000 1.041 185 T CB 1.008 69.974 68.868 0.163 0.000 1.287 185 T HN 2.334 nan 8.240 nan 0.000 0.491 186 G N 2.812 111.661 108.800 0.081 0.000 2.873 186 G HA2 0.093 4.050 3.960 -0.004 0.000 0.507 186 G HA3 0.093 4.050 3.960 -0.004 0.000 0.507 186 G C -0.013 174.914 174.900 0.046 0.000 1.440 186 G CA -0.201 44.936 45.100 0.062 0.000 1.016 186 G HN 0.655 nan 8.290 nan 0.000 0.615 187 D N 1.078 121.505 120.400 0.045 0.000 2.263 187 D HA -0.065 4.573 4.640 -0.004 0.000 0.208 187 D C 2.174 178.478 176.300 0.007 0.000 0.971 187 D CA 1.575 55.591 54.000 0.027 0.000 0.867 187 D CB 0.271 41.087 40.800 0.028 0.000 0.929 187 D HN 0.779 nan 8.370 nan 0.000 0.492 188 E N 0.191 120.394 120.200 0.004 0.000 2.204 188 E HA -0.059 4.288 4.350 -0.004 0.000 0.195 188 E C 0.687 177.266 176.600 -0.034 0.000 0.990 188 E CA 0.389 56.778 56.400 -0.019 0.000 0.821 188 E CB -0.186 29.503 29.700 -0.018 0.000 0.750 188 E HN 0.289 nan 8.360 nan 0.000 0.477 189 L N 1.301 122.517 121.223 -0.012 0.000 2.380 189 L HA 0.299 4.637 4.340 -0.004 0.000 0.273 189 L C 0.054 176.921 176.870 -0.004 0.000 1.138 189 L CA -0.515 54.321 54.840 -0.007 0.000 0.832 189 L CB 0.555 42.626 42.059 0.021 0.000 1.124 189 L HN 0.036 nan 8.230 nan 0.000 0.454 190 Q N 2.104 121.905 119.800 0.001 0.000 2.397 190 Q HA 0.553 4.890 4.340 -0.004 0.000 0.275 190 Q C -1.198 174.901 176.000 0.166 0.000 1.090 190 Q CA -0.530 55.299 55.803 0.043 0.000 0.809 190 Q CB 2.091 30.803 28.738 -0.043 0.000 1.362 190 Q HN 0.486 nan 8.270 nan 0.000 0.431 191 L N 4.411 125.717 121.223 0.139 0.000 2.436 191 L HA 0.476 4.814 4.340 -0.004 0.000 0.265 191 L C -1.843 175.118 176.870 0.151 0.000 1.168 191 L CA -1.906 53.007 54.840 0.121 0.000 0.815 191 L CB 0.580 42.672 42.059 0.055 0.000 1.109 191 L HN 0.601 nan 8.230 nan 0.000 0.462 192 P HA 0.034 nan 4.420 nan 0.000 0.268 192 P C 0.637 177.867 177.300 -0.117 0.000 1.205 192 P CA 0.625 63.598 63.100 -0.212 0.000 0.771 192 P CB 1.168 32.739 31.700 -0.216 0.000 0.858 193 G N 1.857 110.570 108.800 -0.146 0.000 2.320 193 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.242 193 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.242 193 G C 0.226 175.146 174.900 0.033 0.000 1.033 193 G CA -0.185 44.886 45.100 -0.048 0.000 0.620 193 G HN 0.623 nan 8.290 nan 0.000 0.517 194 Q N 1.674 121.529 119.800 0.092 0.000 2.382 194 Q HA 0.446 4.783 4.340 -0.004 0.000 0.229 194 Q C -2.312 173.799 176.000 0.185 0.000 1.006 194 Q CA -1.287 54.585 55.803 0.114 0.000 0.916 194 Q CB 1.105 29.901 28.738 0.098 0.000 1.235 194 Q HN 0.372 nan 8.270 nan 0.000 0.512 195 P HA 0.124 nan 4.420 nan 0.000 0.284 195 P C -0.873 176.431 177.300 0.006 0.000 1.253 195 P CA -0.531 62.618 63.100 0.082 0.000 0.800 195 P CB 0.645 32.368 31.700 0.039 0.000 0.961 196 L N 3.377 124.564 121.223 -0.061 0.000 2.385 196 L HA 0.282 4.620 4.340 -0.004 0.000 0.281 196 L C 1.389 178.194 176.870 -0.109 0.000 1.106 196 L CA 0.693 55.405 54.840 -0.213 0.000 0.856 196 L CB -0.252 41.624 42.059 -0.304 0.000 1.186 196 L HN 0.597 nan 8.230 nan 0.000 0.453 197 G N 3.361 112.103 108.800 -0.098 0.000 2.597 197 G HA2 -0.090 3.867 3.960 -0.004 0.000 0.194 197 G HA3 -0.090 3.867 3.960 -0.004 0.000 0.194 197 G C 0.468 175.335 174.900 -0.055 0.000 1.625 197 G CA 0.367 45.432 45.100 -0.058 0.000 1.050 197 G HN 0.626 nan 8.290 nan 0.000 0.531 198 D N -0.539 119.835 120.400 -0.042 0.000 2.049 198 D HA 0.097 4.735 4.640 -0.004 0.000 0.240 198 D C 2.284 178.559 176.300 -0.042 0.000 0.979 198 D CA 1.480 55.460 54.000 -0.034 0.000 0.915 198 D CB -0.581 40.206 40.800 -0.022 0.000 1.050 198 D HN 0.363 nan 8.370 nan 0.000 0.444 199 G N 0.187 108.964 108.800 -0.038 0.000 3.562 199 G HA2 0.106 4.064 3.960 -0.004 0.000 0.279 199 G HA3 0.106 4.064 3.960 -0.004 0.000 0.279 199 G C -0.140 174.725 174.900 -0.058 0.000 1.314 199 G CA -0.183 44.894 45.100 -0.040 0.000 1.189 199 G HN 0.153 nan 8.290 nan 0.000 0.562 200 Q N -0.011 119.737 119.800 -0.087 0.000 2.221 200 Q HA 0.633 4.971 4.340 -0.004 0.000 0.242 200 Q C -0.299 175.594 176.000 -0.179 0.000 0.940 200 Q CA -0.446 55.283 55.803 -0.122 0.000 0.896 200 Q CB 2.337 30.988 28.738 -0.144 0.000 1.226 200 Q HN 0.495 nan 8.270 nan 0.000 0.463 201 I N -2.673 117.785 120.570 -0.187 0.000 2.865 201 I HA 0.431 4.599 4.170 -0.004 0.000 0.302 201 I C -1.169 174.821 176.117 -0.212 0.000 1.140 201 I CA -1.327 59.848 61.300 -0.209 0.000 1.021 201 I CB 1.333 39.277 38.000 -0.094 0.000 1.233 201 I HN 0.451 nan 8.210 nan 0.000 0.427 202 Y N 1.450 121.731 120.300 -0.032 0.000 2.346 202 Y HA 0.197 4.745 4.550 -0.004 0.000 0.330 202 Y C 0.572 176.444 175.900 -0.048 0.000 1.178 202 Y CA -0.017 58.061 58.100 -0.037 0.000 1.331 202 Y CB 0.483 38.918 38.460 -0.042 0.000 1.253 202 Y HN 0.558 nan 8.280 nan 0.000 0.529 203 D N 1.392 121.868 120.400 0.126 0.000 2.417 203 D HA 0.017 4.655 4.640 -0.004 0.000 0.250 203 D C 0.695 176.995 176.300 0.001 0.000 1.166 203 D CA 0.417 54.442 54.000 0.041 0.000 0.881 203 D CB 1.016 41.837 40.800 0.036 0.000 1.164 203 D HN 0.748 nan 8.370 nan 0.000 0.467 204 T N 0.166 114.691 114.554 -0.049 0.000 3.028 204 T HA 0.026 4.374 4.350 -0.004 0.000 0.250 204 T C 1.349 175.966 174.700 -0.139 0.000 0.979 204 T CA -0.331 61.699 62.100 -0.118 0.000 1.004 204 T CB -0.096 68.662 68.868 -0.183 0.000 1.120 204 T HN 0.156 nan 8.240 nan 0.000 0.482 205 N N 1.903 120.539 118.700 -0.106 0.000 2.149 205 N HA -0.018 4.720 4.740 -0.004 0.000 0.188 205 N C 1.896 177.349 175.510 -0.095 0.000 1.019 205 N CA 1.194 54.185 53.050 -0.098 0.000 0.857 205 N CB -0.383 38.074 38.487 -0.051 0.000 0.997 205 N HN 0.440 nan 8.380 nan 0.000 0.426 206 R N 0.606 121.069 120.500 -0.062 0.000 2.092 206 R HA 0.043 4.381 4.340 -0.004 0.000 0.231 206 R C 2.220 178.502 176.300 -0.031 0.000 1.119 206 R CA 0.587 56.663 56.100 -0.039 0.000 0.970 206 R CB -0.317 29.984 30.300 0.002 0.000 0.864 206 R HN 0.202 nan 8.270 nan 0.000 0.440 207 L N 0.100 121.286 121.223 -0.060 0.000 1.989 207 L HA -0.198 4.140 4.340 -0.004 0.000 0.211 207 L C 2.350 179.167 176.870 -0.088 0.000 1.071 207 L CA 1.786 56.578 54.840 -0.081 0.000 0.749 207 L CB -0.566 41.425 42.059 -0.113 0.000 0.890 207 L HN 0.344 nan 8.230 nan 0.000 0.431 208 A N -0.611 122.129 122.820 -0.133 0.000 1.865 208 A HA -0.215 4.103 4.320 -0.004 0.000 0.217 208 A C 2.152 179.594 177.584 -0.237 0.000 1.191 208 A CA 2.112 54.052 52.037 -0.162 0.000 0.623 208 A CB -1.111 17.790 19.000 -0.166 0.000 0.826 208 A HN 0.324 nan 8.150 nan 0.000 0.444 209 V N -0.079 119.664 119.914 -0.284 0.000 2.568 209 V HA -0.271 3.846 4.120 -0.004 0.000 0.253 209 V C 2.526 178.446 176.094 -0.289 0.000 1.072 209 V CA 2.254 64.272 62.300 -0.471 0.000 1.084 209 V CB -1.036 30.573 31.823 -0.356 0.000 0.676 209 V HN 0.762 nan 8.190 nan 0.000 0.469 210 H N -0.154 118.786 119.070 -0.216 0.000 2.403 210 H HA 0.009 4.563 4.556 -0.004 0.000 0.298 210 H C 2.118 177.371 175.328 -0.124 0.000 1.059 210 H CA 1.616 57.584 56.048 -0.134 0.000 1.363 210 H CB 0.084 29.790 29.762 -0.093 0.000 1.410 210 H HN 0.376 nan 8.280 nan 0.000 0.528 211 L N -0.319 120.937 121.223 0.055 0.000 2.056 211 L HA -0.153 4.185 4.340 -0.004 0.000 0.207 211 L C 2.958 179.803 176.870 -0.042 0.000 1.078 211 L CA 0.964 55.811 54.840 0.011 0.000 0.749 211 L CB -0.393 41.638 42.059 -0.047 0.000 0.901 211 L HN 0.183 nan 8.230 nan 0.000 0.433 212 M N -0.435 119.083 119.600 -0.136 0.000 2.086 212 M HA -0.224 4.253 4.480 -0.004 0.000 0.261 212 M C 2.378 178.671 176.300 -0.012 0.000 1.067 212 M CA 1.860 57.089 55.300 -0.119 0.000 1.116 212 M CB -0.510 31.937 32.600 -0.256 0.000 1.348 212 M HN 0.226 nan 8.290 nan 0.000 0.407 213 L N -0.311 120.890 121.223 -0.036 0.000 2.079 213 L HA -0.229 4.108 4.340 -0.004 0.000 0.210 213 L C 2.338 179.211 176.870 0.004 0.000 1.081 213 L CA 1.397 56.253 54.840 0.027 0.000 0.752 213 L CB -0.602 41.430 42.059 -0.045 0.000 0.896 213 L HN 0.370 nan 8.230 nan 0.000 0.433 214 E N -0.798 119.402 120.200 0.001 0.000 2.152 214 E HA -0.196 4.151 4.350 -0.004 0.000 0.192 214 E C 2.235 178.851 176.600 0.026 0.000 0.983 214 E CA 0.590 57.004 56.400 0.024 0.000 0.818 214 E CB 0.260 30.009 29.700 0.082 0.000 0.758 214 E HN 0.343 nan 8.360 nan 0.000 0.467 215 Q N -0.288 119.523 119.800 0.018 0.000 2.269 215 Q HA 0.005 4.343 4.340 -0.004 0.000 0.201 215 Q C 1.891 177.904 176.000 0.022 0.000 0.946 215 Q CA 0.665 56.478 55.803 0.016 0.000 0.877 215 Q CB 0.212 28.946 28.738 -0.007 0.000 0.963 215 Q HN 0.359 nan 8.270 nan 0.000 0.472 216 L N -0.926 120.309 121.223 0.020 0.000 2.599 216 L HA 0.143 4.481 4.340 -0.004 0.000 0.230 216 L C 1.086 177.965 176.870 0.015 0.000 1.141 216 L CA 0.561 55.409 54.840 0.013 0.000 0.877 216 L CB -0.114 41.953 42.059 0.013 0.000 1.009 216 L HN 0.296 nan 8.230 nan 0.000 0.447 217 G N -1.087 107.727 108.800 0.024 0.000 2.157 217 G HA2 -0.233 3.724 3.960 -0.004 0.000 0.239 217 G HA3 -0.233 3.724 3.960 -0.004 0.000 0.239 217 G C 0.232 175.142 174.900 0.016 0.000 0.982 217 G CA -0.148 44.967 45.100 0.025 0.000 0.650 217 G HN 0.310 nan 8.290 nan 0.000 0.527 218 C N 0.354 119.660 119.300 0.010 0.000 2.520 218 C HA 0.618 5.076 4.460 -0.004 0.000 0.376 218 C C 0.916 175.903 174.990 -0.005 0.000 1.268 218 C CA -0.526 58.495 59.018 0.005 0.000 2.414 218 C CB 1.130 28.873 27.740 0.004 0.000 2.521 218 C HN 0.548 nan 8.230 nan 0.000 0.618 219 E N 0.634 120.832 120.200 -0.003 0.000 2.194 219 E HA 0.392 4.740 4.350 -0.004 0.000 0.284 219 E C -0.922 175.658 176.600 -0.034 0.000 1.035 219 E CA -0.131 56.263 56.400 -0.009 0.000 0.836 219 E CB 0.753 30.456 29.700 0.005 0.000 1.070 219 E HN 0.458 nan 8.360 nan 0.000 0.401 220 V N 6.011 125.878 119.914 -0.078 0.000 2.481 220 V HA 0.313 4.430 4.120 -0.004 0.000 0.286 220 V C 0.162 176.200 176.094 -0.095 0.000 1.042 220 V CA -0.497 61.706 62.300 -0.162 0.000 0.928 220 V CB 1.298 32.858 31.823 -0.438 0.000 0.986 220 V HN 0.588 nan 8.190 nan 0.000 0.462 221 I N 3.957 124.488 120.570 -0.064 0.000 2.464 221 I HA 0.357 4.525 4.170 -0.004 0.000 0.277 221 I C -0.137 175.993 176.117 0.022 0.000 1.040 221 I CA -0.179 61.121 61.300 -0.000 0.000 1.153 221 I CB 0.920 38.934 38.000 0.023 0.000 1.274 221 I HN 0.633 nan 8.210 nan 0.000 0.469 222 N N 5.719 124.451 118.700 0.053 0.000 2.500 222 N HA 0.229 4.967 4.740 -0.004 0.000 0.236 222 N C 0.302 175.873 175.510 0.101 0.000 1.022 222 N CA -0.588 52.522 53.050 0.100 0.000 0.935 222 N CB 0.853 39.470 38.487 0.217 0.000 1.147 222 N HN 0.474 nan 8.380 nan 0.000 0.512 223 L N 3.308 124.602 121.223 0.119 0.000 2.645 223 L HA 0.319 4.657 4.340 -0.004 0.000 0.234 223 L C 1.490 178.406 176.870 0.076 0.000 1.165 223 L CA 0.378 55.268 54.840 0.085 0.000 0.944 223 L CB -1.371 40.732 42.059 0.074 0.000 1.149 223 L HN 0.794 nan 8.230 nan 0.000 0.446 224 G N 0.119 108.978 108.800 0.098 0.000 2.633 224 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.263 224 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.263 224 G C 0.240 175.197 174.900 0.095 0.000 1.310 224 G CA -0.307 44.840 45.100 0.079 0.000 0.914 224 G HN 0.146 nan 8.290 nan 0.000 0.569 225 I N 1.228 121.837 120.570 0.065 0.000 2.436 225 I HA 0.155 4.323 4.170 -0.004 0.000 0.289 225 I C 0.576 176.715 176.117 0.036 0.000 1.083 225 I CA -0.486 60.854 61.300 0.067 0.000 1.372 225 I CB 0.407 38.437 38.000 0.051 0.000 1.408 225 I HN 0.208 nan 8.210 nan 0.000 0.516 226 I N 6.861 127.449 120.570 0.030 0.000 2.428 226 I HA 0.204 4.372 4.170 -0.004 0.000 0.289 226 I C 0.838 176.963 176.117 0.012 0.000 1.019 226 I CA -0.414 60.864 61.300 -0.037 0.000 1.351 226 I CB 0.721 38.626 38.000 -0.159 0.000 1.412 226 I HN 0.633 nan 8.210 nan 0.000 0.513 227 R N 3.139 123.642 120.500 0.004 0.000 2.694 227 R HA 0.143 4.481 4.340 -0.004 0.000 0.268 227 R C -0.364 175.970 176.300 0.056 0.000 1.061 227 R CA -0.651 55.465 56.100 0.026 0.000 1.133 227 R CB 0.439 30.746 30.300 0.012 0.000 1.020 227 R HN 0.377 nan 8.270 nan 0.000 0.475 228 D N 1.313 121.759 120.400 0.077 0.000 2.662 228 D HA 0.017 4.654 4.640 -0.004 0.000 0.228 228 D C -0.948 175.374 176.300 0.037 0.000 1.093 228 D CA 0.842 54.929 54.000 0.146 0.000 1.075 228 D CB -0.306 40.573 40.800 0.132 0.000 1.122 228 D HN 0.484 nan 8.370 nan 0.000 0.475 229 D N 0.771 121.164 120.400 -0.011 0.000 2.947 229 D HA 0.132 4.770 4.640 -0.004 0.000 0.224 229 D C -2.284 173.889 176.300 -0.211 0.000 1.230 229 D CA -1.737 52.149 54.000 -0.190 0.000 0.871 229 D CB 2.600 43.358 40.800 -0.071 0.000 1.671 229 D HN -0.142 nan 8.370 nan 0.000 0.507 230 P HA -0.102 nan 4.420 nan 0.000 0.221 230 P C 0.997 178.130 177.300 -0.278 0.000 1.145 230 P CA 1.089 63.992 63.100 -0.328 0.000 0.795 230 P CB 0.165 31.561 31.700 -0.506 0.000 0.775 231 H N -0.797 118.245 119.070 -0.046 0.000 2.355 231 H HA 0.192 4.746 4.556 -0.003 0.000 0.303 231 H C 2.042 177.356 175.328 -0.023 0.000 1.061 231 H CA 1.259 57.291 56.048 -0.027 0.000 1.368 231 H CB -0.937 28.802 29.762 -0.039 0.000 1.412 231 H HN 0.027 nan 8.280 nan 0.000 0.523 232 A N 1.930 124.792 122.820 0.069 0.000 1.903 232 A HA -0.166 4.152 4.320 -0.004 0.000 0.219 232 A C 2.561 180.129 177.584 -0.027 0.000 1.191 232 A CA 1.520 53.563 52.037 0.009 0.000 0.638 232 A CB -0.998 17.998 19.000 -0.006 0.000 0.823 232 A HN 0.348 nan 8.150 nan 0.000 0.451 233 L N -1.294 119.935 121.223 0.011 0.000 2.072 233 L HA -0.119 4.219 4.340 -0.004 0.000 0.205 233 L C 2.793 179.708 176.870 0.075 0.000 1.079 233 L CA 1.369 56.217 54.840 0.013 0.000 0.752 233 L CB -0.367 41.801 42.059 0.182 0.000 0.906 233 L HN 0.416 nan 8.230 nan 0.000 0.436 234 R N -0.393 120.173 120.500 0.109 0.000 2.096 234 R HA -0.133 4.204 4.340 -0.004 0.000 0.235 234 R C 2.305 178.665 176.300 0.100 0.000 1.127 234 R CA 1.261 57.445 56.100 0.139 0.000 0.968 234 R CB -0.370 29.981 30.300 0.085 0.000 0.861 234 R HN 0.418 nan 8.270 nan 0.000 0.440 235 A N 1.240 124.083 122.820 0.038 0.000 1.902 235 A HA -0.124 4.194 4.320 -0.004 0.000 0.217 235 A C 2.361 179.916 177.584 -0.050 0.000 1.181 235 A CA 1.712 53.751 52.037 0.002 0.000 0.623 235 A CB -0.623 18.371 19.000 -0.011 0.000 0.818 235 A HN 0.396 nan 8.150 nan 0.000 0.443 236 A N -1.373 121.349 122.820 -0.163 0.000 1.898 236 A HA 0.006 4.324 4.320 -0.004 0.000 0.216 236 A C 2.010 179.429 177.584 -0.274 0.000 1.181 236 A CA 1.376 53.191 52.037 -0.369 0.000 0.620 236 A CB -0.728 17.786 19.000 -0.810 0.000 0.819 236 A HN 0.486 nan 8.150 nan 0.000 0.442 237 F N -0.144 119.725 119.950 -0.135 0.000 2.186 237 F HA -0.101 4.424 4.527 -0.004 0.000 0.299 237 F C 2.076 177.882 175.800 0.010 0.000 1.090 237 F CA 1.329 59.340 58.000 0.018 0.000 1.307 237 F CB -0.199 38.803 39.000 0.003 0.000 1.019 237 F HN 0.123 nan 8.300 nan 0.000 0.489 238 I N -0.069 120.601 120.570 0.167 0.000 2.394 238 I HA -0.249 3.918 4.170 -0.004 0.000 0.251 238 I C 2.379 178.535 176.117 0.064 0.000 1.136 238 I CA 1.564 62.920 61.300 0.093 0.000 1.425 238 I CB -0.430 37.601 38.000 0.052 0.000 1.079 238 I HN 0.184 nan 8.210 nan 0.000 0.425 239 E N 1.762 121.987 120.200 0.041 0.000 2.051 239 E HA -0.162 4.186 4.350 -0.004 0.000 0.189 239 E C 2.280 178.914 176.600 0.056 0.000 0.979 239 E CA 1.150 57.567 56.400 0.028 0.000 0.803 239 E CB -0.154 29.544 29.700 -0.003 0.000 0.761 239 E HN 0.351 nan 8.360 nan 0.000 0.451 240 A N 1.308 124.179 122.820 0.085 0.000 1.892 240 A HA -0.294 4.023 4.320 -0.004 0.000 0.218 240 A C 2.054 179.719 177.584 0.135 0.000 1.188 240 A CA 2.167 54.290 52.037 0.142 0.000 0.631 240 A CB -1.099 18.050 19.000 0.249 0.000 0.822 240 A HN 0.548 nan 8.150 nan 0.000 0.447 241 D N -0.374 120.115 120.400 0.149 0.000 2.178 241 D HA -0.135 4.502 4.640 -0.004 0.000 0.202 241 D C 2.045 178.377 176.300 0.054 0.000 0.974 241 D CA 1.724 55.787 54.000 0.105 0.000 0.841 241 D CB -0.071 40.785 40.800 0.093 0.000 0.953 241 D HN 0.481 nan 8.370 nan 0.000 0.478 242 S N -0.934 114.795 115.700 0.048 0.000 2.522 242 S HA -0.145 4.323 4.470 -0.004 0.000 0.227 242 S C 1.271 175.887 174.600 0.026 0.000 0.986 242 S CA 0.695 58.911 58.200 0.027 0.000 0.929 242 S CB -0.295 62.919 63.200 0.023 0.000 0.769 242 S HN 0.603 nan 8.310 nan 0.000 0.529 243 Q N -0.539 119.283 119.800 0.037 0.000 2.013 243 Q HA 0.665 5.003 4.340 -0.004 0.000 0.233 243 Q C -0.234 175.791 176.000 0.041 0.000 0.834 243 Q CA -0.342 55.481 55.803 0.033 0.000 1.040 243 Q CB 0.516 29.272 28.738 0.030 0.000 1.248 243 Q HN 0.409 nan 8.270 nan 0.000 0.425 244 A N 0.264 123.115 122.820 0.051 0.000 2.469 244 A HA 0.478 4.796 4.320 -0.004 0.000 0.299 244 A C -0.218 177.403 177.584 0.063 0.000 1.098 244 A CA -0.546 51.527 52.037 0.060 0.000 0.737 244 A CB 1.262 20.307 19.000 0.076 0.000 1.312 244 A HN 0.233 nan 8.150 nan 0.000 0.414 245 D N -0.240 120.207 120.400 0.078 0.000 2.323 245 D HA 0.107 4.745 4.640 -0.004 0.000 0.209 245 D C -0.081 176.323 176.300 0.172 0.000 0.973 245 D CA 1.317 55.384 54.000 0.111 0.000 0.874 245 D CB 0.449 41.329 40.800 0.134 0.000 0.930 245 D HN 0.180 nan 8.370 nan 0.000 0.521 246 V N 1.198 121.202 119.914 0.151 0.000 2.851 246 V HA 0.249 4.367 4.120 -0.004 0.000 0.307 246 V C -0.422 175.749 176.094 0.129 0.000 1.129 246 V CA -0.850 61.556 62.300 0.177 0.000 0.932 246 V CB 2.989 34.908 31.823 0.160 0.000 1.024 246 V HN -0.253 nan 8.190 nan 0.000 0.426 247 V N 5.483 125.487 119.914 0.149 0.000 2.540 247 V HA 0.607 4.725 4.120 -0.004 0.000 0.302 247 V C -0.491 175.600 176.094 -0.004 0.000 1.035 247 V CA -0.459 61.923 62.300 0.136 0.000 0.873 247 V CB 2.002 34.017 31.823 0.319 0.000 0.992 247 V HN 0.688 nan 8.190 nan 0.000 0.428 248 I N 2.961 123.439 120.570 -0.153 0.000 2.466 248 I HA 0.375 4.543 4.170 -0.004 0.000 0.289 248 I C -0.107 175.731 176.117 -0.465 0.000 1.026 248 I CA -0.373 60.758 61.300 -0.281 0.000 1.078 248 I CB 2.251 40.177 38.000 -0.123 0.000 1.249 248 I HN 0.612 nan 8.210 nan 0.000 0.429 249 S N 3.485 118.911 115.700 -0.456 0.000 2.404 249 S HA 0.138 4.606 4.470 -0.004 0.000 0.309 249 S C 1.089 175.563 174.600 -0.210 0.000 1.076 249 S CA -0.510 57.427 58.200 -0.438 0.000 1.095 249 S CB 0.688 63.809 63.200 -0.132 0.000 0.972 249 S HN 0.742 nan 8.310 nan 0.000 0.484 250 S N 3.481 119.072 115.700 -0.181 0.000 2.607 250 S HA 0.415 4.882 4.470 -0.004 0.000 0.224 250 S C 0.886 175.472 174.600 -0.023 0.000 0.969 250 S CA 0.117 58.270 58.200 -0.079 0.000 0.927 250 S CB -0.535 62.618 63.200 -0.078 0.000 0.772 250 S HN 1.418 nan 8.310 nan 0.000 0.533 251 G N -2.031 106.766 108.800 -0.006 0.000 2.368 251 G HA2 0.524 4.482 3.960 -0.004 0.000 0.301 251 G HA3 0.524 4.482 3.960 -0.004 0.000 0.301 251 G C 0.226 175.161 174.900 0.058 0.000 1.640 251 G CA -0.138 44.982 45.100 0.033 0.000 0.941 251 G HN 1.248 nan 8.290 nan 0.000 0.695 252 G N -1.033 107.806 108.800 0.064 0.000 2.490 252 G HA2 -0.073 3.885 3.960 -0.004 0.000 0.214 252 G HA3 -0.073 3.885 3.960 -0.004 0.000 0.214 252 G C 0.788 175.729 174.900 0.068 0.000 1.151 252 G CA 0.647 45.786 45.100 0.064 0.000 0.684 252 G HN 1.907 nan 8.290 nan 0.000 0.518 253 V N 2.451 122.438 119.914 0.122 0.000 2.763 253 V HA 0.447 4.565 4.120 -0.004 0.000 0.306 253 V C 1.499 177.677 176.094 0.139 0.000 1.059 253 V CA 0.717 63.109 62.300 0.153 0.000 1.138 253 V CB 1.433 33.436 31.823 0.299 0.000 0.940 253 V HN 0.925 nan 8.190 nan 0.000 0.489 254 S N 2.991 118.750 115.700 0.098 0.000 2.563 254 S HA 0.113 4.581 4.470 -0.004 0.000 0.284 254 S C 0.537 175.291 174.600 0.256 0.000 1.331 254 S CA 0.038 58.301 58.200 0.104 0.000 1.047 254 S CB 0.856 64.058 63.200 0.003 0.000 0.859 254 S HN 1.193 nan 8.310 nan 0.000 0.514 255 V N 1.858 121.908 119.914 0.226 0.000 3.070 255 V HA 0.723 4.840 4.120 -0.004 0.000 0.345 255 V C 0.980 177.265 176.094 0.319 0.000 1.403 255 V CA 0.433 62.942 62.300 0.348 0.000 1.155 255 V CB -0.458 31.510 31.823 0.241 0.000 1.140 255 V HN 1.153 nan 8.190 nan 0.000 0.505 256 G N 0.393 109.194 108.800 0.001 0.000 4.241 256 G HA2 -0.122 3.836 3.960 -0.004 0.000 0.193 256 G HA3 -0.122 3.836 3.960 -0.004 0.000 0.193 256 G C 0.008 174.789 174.900 -0.198 0.000 1.789 256 G CA -0.052 44.938 45.100 -0.183 0.000 1.025 256 G HN 0.480 nan 8.290 nan 0.000 0.346 257 E N 1.822 121.978 120.200 -0.074 0.000 2.608 257 E HA 0.428 4.775 4.350 -0.004 0.000 0.259 257 E C 0.820 177.356 176.600 -0.106 0.000 0.951 257 E CA 0.471 56.836 56.400 -0.060 0.000 0.945 257 E CB 0.716 30.410 29.700 -0.010 0.000 0.916 257 E HN 0.752 nan 8.360 nan 0.000 0.477 258 A N 4.996 127.762 122.820 -0.091 0.000 2.477 258 A HA 0.364 4.681 4.320 -0.004 0.000 0.246 258 A C -0.161 177.385 177.584 -0.064 0.000 1.078 258 A CA 0.369 52.352 52.037 -0.091 0.000 0.770 258 A CB 0.230 19.192 19.000 -0.063 0.000 1.011 258 A HN 0.751 nan 8.150 nan 0.000 0.494 259 D N 0.322 120.681 120.400 -0.069 0.000 2.940 259 D HA -0.079 4.559 4.640 -0.004 0.000 0.304 259 D C -0.076 176.187 176.300 -0.062 0.000 1.255 259 D CA 0.084 54.053 54.000 -0.053 0.000 0.734 259 D CB -0.599 40.144 40.800 -0.095 0.000 1.261 259 D HN 0.581 nan 8.370 nan 0.000 0.436 260 Y N -0.688 119.604 120.300 -0.013 0.000 2.439 260 Y HA 0.030 4.578 4.550 -0.003 0.000 0.292 260 Y C 2.194 178.089 175.900 -0.008 0.000 1.130 260 Y CA 2.070 60.158 58.100 -0.021 0.000 1.254 260 Y CB -1.087 37.356 38.460 -0.029 0.000 1.000 260 Y HN 0.481 nan 8.280 nan 0.000 0.554 261 T N -1.524 112.637 114.554 -0.654 0.000 2.857 261 T HA -0.162 4.185 4.350 -0.004 0.000 0.266 261 T C 1.804 176.442 174.700 -0.102 0.000 1.048 261 T CA 1.410 63.311 62.100 -0.331 0.000 1.139 261 T CB -0.413 68.251 68.868 -0.339 0.000 0.874 261 T HN 0.432 nan 8.240 nan 0.000 0.455 262 K N 1.250 121.579 120.400 -0.119 0.000 2.209 262 K HA -0.114 4.204 4.320 -0.004 0.000 0.204 262 K C 2.503 179.071 176.600 -0.054 0.000 1.048 262 K CA 1.700 57.940 56.287 -0.079 0.000 0.940 262 K CB -0.422 31.972 32.500 -0.178 0.000 0.729 262 K HN 0.612 nan 8.250 nan 0.000 0.451 263 T N -1.527 113.005 114.554 -0.038 0.000 2.985 263 T HA -0.013 4.334 4.350 -0.004 0.000 0.266 263 T C 1.813 176.493 174.700 -0.034 0.000 1.076 263 T CA 0.725 62.812 62.100 -0.022 0.000 1.135 263 T CB -0.164 68.707 68.868 0.004 0.000 0.890 263 T HN 0.167 nan 8.240 nan 0.000 0.480 264 I N 0.425 120.982 120.570 -0.023 0.000 2.353 264 I HA 0.065 4.233 4.170 -0.004 0.000 0.248 264 I C 2.532 178.512 176.117 -0.227 0.000 1.119 264 I CA 0.784 62.043 61.300 -0.068 0.000 1.417 264 I CB -0.205 37.818 38.000 0.038 0.000 1.078 264 I HN 0.220 nan 8.210 nan 0.000 0.421 265 L N 0.200 121.282 121.223 -0.236 0.000 2.056 265 L HA -0.198 4.140 4.340 -0.004 0.000 0.207 265 L C 2.403 179.117 176.870 -0.259 0.000 1.078 265 L CA 1.556 56.157 54.840 -0.398 0.000 0.749 265 L CB -0.336 41.579 42.059 -0.241 0.000 0.901 265 L HN 0.272 nan 8.230 nan 0.000 0.433 266 E N -0.551 119.588 120.200 -0.102 0.000 2.268 266 E HA -0.268 4.080 4.350 -0.004 0.000 0.195 266 E C 1.861 178.402 176.600 -0.098 0.000 0.995 266 E CA 0.906 57.270 56.400 -0.061 0.000 0.836 266 E CB 0.096 29.792 29.700 -0.007 0.000 0.763 266 E HN 0.468 nan 8.360 nan 0.000 0.491 267 E N 0.619 120.746 120.200 -0.121 0.000 2.216 267 E HA -0.103 4.245 4.350 -0.004 0.000 0.192 267 E C 1.646 178.160 176.600 -0.143 0.000 0.988 267 E CA 0.456 56.791 56.400 -0.108 0.000 0.834 267 E CB 0.251 29.900 29.700 -0.085 0.000 0.772 267 E HN 0.237 nan 8.360 nan 0.000 0.479 268 L N -0.081 121.006 121.223 -0.227 0.000 2.640 268 L HA 0.382 4.719 4.340 -0.004 0.000 0.230 268 L C 0.784 177.497 176.870 -0.263 0.000 1.123 268 L CA 0.144 54.828 54.840 -0.262 0.000 0.900 268 L CB 1.023 42.842 42.059 -0.401 0.000 1.146 268 L HN 0.174 nan 8.230 nan 0.000 0.484 269 G N -0.784 107.870 108.800 -0.243 0.000 2.340 269 G HA2 0.149 4.107 3.960 -0.004 0.000 0.299 269 G HA3 0.149 4.107 3.960 -0.004 0.000 0.299 269 G C -1.521 173.274 174.900 -0.175 0.000 1.291 269 G CA -0.659 44.314 45.100 -0.212 0.000 0.841 269 G HN -0.176 nan 8.290 nan 0.000 0.500 270 E N 1.127 121.233 120.200 -0.157 0.000 1.963 270 E HA 0.325 4.672 4.350 -0.004 0.000 0.274 270 E C -0.226 176.269 176.600 -0.176 0.000 1.061 270 E CA -0.287 56.044 56.400 -0.115 0.000 0.847 270 E CB 1.012 30.673 29.700 -0.064 0.000 1.083 270 E HN 0.280 nan 8.360 nan 0.000 0.402 271 I N 1.872 122.314 120.570 -0.213 0.000 2.339 271 I HA 0.340 4.508 4.170 -0.004 0.000 0.290 271 I C 0.568 176.424 176.117 -0.435 0.000 0.994 271 I CA -1.300 59.755 61.300 -0.409 0.000 1.191 271 I CB 0.831 38.480 38.000 -0.586 0.000 1.343 271 I HN 0.206 nan 8.210 nan 0.000 0.458 272 A N 6.611 129.150 122.820 -0.469 0.000 2.354 272 A HA 0.714 5.032 4.320 -0.004 0.000 0.269 272 A C -0.929 176.188 177.584 -0.779 0.000 1.109 272 A CA -0.181 51.619 52.037 -0.394 0.000 0.800 272 A CB 0.091 18.924 19.000 -0.278 0.000 1.045 272 A HN 0.448 nan 8.150 nan 0.000 0.489 273 F N 2.196 122.041 119.950 -0.176 0.000 2.325 273 F HA 0.360 4.884 4.527 -0.004 0.000 0.369 273 F C -0.429 175.444 175.800 0.122 0.000 1.095 273 F CA -0.538 57.402 58.000 -0.100 0.000 1.082 273 F CB 0.875 39.871 39.000 -0.007 0.000 1.289 273 F HN 0.509 nan 8.300 nan 0.000 0.462 274 W N 2.675 124.130 121.300 0.258 0.000 2.313 274 W HA 0.463 5.122 4.660 -0.003 0.000 0.328 274 W C -0.120 176.534 176.519 0.226 0.000 1.197 274 W CA -1.487 55.997 57.345 0.231 0.000 1.235 274 W CB 0.856 30.460 29.460 0.240 0.000 1.158 274 W HN 0.266 nan 8.180 nan 0.000 0.578 275 K N 3.033 123.680 120.400 0.411 0.000 2.404 275 K HA 0.301 4.619 4.320 -0.004 0.000 0.257 275 K C -0.554 176.171 176.600 0.208 0.000 1.026 275 K CA -0.886 55.563 56.287 0.271 0.000 0.951 275 K CB 0.989 33.608 32.500 0.198 0.000 1.203 275 K HN -0.018 nan 8.250 nan 0.000 0.446 276 L N 1.831 123.179 121.223 0.208 0.000 2.395 276 L HA 0.278 4.616 4.340 -0.004 0.000 0.269 276 L C 0.627 177.552 176.870 0.091 0.000 1.133 276 L CA -0.076 54.841 54.840 0.128 0.000 0.812 276 L CB 1.052 43.186 42.059 0.125 0.000 1.125 276 L HN 0.660 nan 8.230 nan 0.000 0.452 277 A N 5.678 128.530 122.820 0.053 0.000 3.157 277 A HA 0.511 4.829 4.320 -0.004 0.000 0.276 277 A C 0.064 177.678 177.584 0.051 0.000 1.524 277 A CA -0.307 51.755 52.037 0.041 0.000 1.236 277 A CB -1.045 17.964 19.000 0.016 0.000 1.173 277 A HN 0.617 nan 8.150 nan 0.000 0.595 278 I N -2.784 117.834 120.570 0.080 0.000 3.206 278 I HA 0.872 5.040 4.170 -0.004 0.000 0.313 278 I C -0.728 175.453 176.117 0.107 0.000 1.103 278 I CA -1.403 59.973 61.300 0.126 0.000 0.985 278 I CB 2.395 40.497 38.000 0.170 0.000 1.240 278 I HN 0.153 nan 8.210 nan 0.000 0.464 279 K N 2.573 123.062 120.400 0.148 0.000 2.557 279 K HA 0.518 4.836 4.320 -0.004 0.000 0.257 279 K C -3.089 173.612 176.600 0.169 0.000 0.933 279 K CA -1.318 55.030 56.287 0.101 0.000 0.820 279 K CB 2.619 35.136 32.500 0.029 0.000 1.330 279 K HN 0.442 nan 8.250 nan 0.000 0.432 280 P HA 0.332 nan 4.420 nan 0.000 0.272 280 P C 0.113 177.517 177.300 0.174 0.000 1.240 280 P CA 0.604 63.790 63.100 0.144 0.000 0.791 280 P CB 0.977 32.829 31.700 0.254 0.000 0.978 281 G N 0.079 108.985 108.800 0.178 0.000 2.362 281 G HA2 0.090 4.048 3.960 -0.004 0.000 0.517 281 G HA3 0.090 4.048 3.960 -0.004 0.000 0.517 281 G C -0.301 174.695 174.900 0.159 0.000 1.256 281 G CA 0.353 45.586 45.100 0.222 0.000 1.027 281 G HN 0.845 nan 8.290 nan 0.000 0.491 282 K N -1.878 118.636 120.400 0.191 0.000 2.655 282 K HA 0.081 4.399 4.320 -0.004 0.000 0.239 282 K C -2.526 174.218 176.600 0.239 0.000 2.785 282 K CA 0.769 57.163 56.287 0.178 0.000 1.462 282 K CB -0.470 32.117 32.500 0.144 0.000 3.026 282 K HN 0.676 nan 8.250 nan 0.000 0.359 283 P HA 0.349 nan 4.420 nan 0.000 0.279 283 P C -1.127 176.409 177.300 0.394 0.000 1.252 283 P CA 0.064 63.347 63.100 0.306 0.000 0.811 283 P CB 0.768 32.624 31.700 0.260 0.000 1.035 284 F N -0.072 120.004 119.950 0.210 0.000 2.704 284 F HA 0.566 5.091 4.527 -0.003 0.000 0.312 284 F C -2.127 173.723 175.800 0.084 0.000 1.108 284 F CA -0.591 57.500 58.000 0.152 0.000 1.005 284 F CB 0.902 40.003 39.000 0.168 0.000 1.277 284 F HN 0.538 nan 8.300 nan 0.000 0.445 285 A N 4.730 127.040 122.820 -0.849 0.000 2.365 285 A HA 0.910 5.228 4.320 -0.004 0.000 0.318 285 A C -2.140 174.797 177.584 -1.079 0.000 1.091 285 A CA -0.604 50.966 52.037 -0.778 0.000 0.763 285 A CB 1.311 20.127 19.000 -0.307 0.000 1.248 285 A HN 1.279 nan 8.150 nan 0.000 0.442 286 F N 0.847 120.192 119.950 -1.008 0.000 2.688 286 F HA 0.651 5.176 4.527 -0.003 0.000 0.308 286 F C -0.072 175.474 175.800 -0.424 0.000 1.117 286 F CA 0.767 58.334 58.000 -0.721 0.000 0.976 286 F CB 1.419 39.973 39.000 -0.743 0.000 1.291 286 F HN 1.494 nan 8.300 nan 0.000 0.439 287 G N 3.831 111.862 108.800 -1.282 0.000 2.324 287 G HA2 0.241 4.199 3.960 -0.004 0.000 0.293 287 G HA3 0.241 4.199 3.960 -0.004 0.000 0.293 287 G C -2.261 172.406 174.900 -0.387 0.000 1.297 287 G CA -1.167 43.478 45.100 -0.759 0.000 0.853 287 G HN 0.604 nan 8.290 nan 0.000 0.535 288 K N 0.331 120.593 120.400 -0.230 0.000 2.205 288 K HA 0.594 4.912 4.320 -0.004 0.000 0.279 288 K C 0.108 176.551 176.600 -0.262 0.000 1.027 288 K CA -0.324 55.771 56.287 -0.320 0.000 0.932 288 K CB 1.028 33.301 32.500 -0.379 0.000 1.032 288 K HN 0.383 nan 8.250 nan 0.000 0.466 289 L N 0.701 121.775 121.223 -0.249 0.000 2.687 289 L HA 0.233 4.571 4.340 -0.004 0.000 0.252 289 L C 1.872 178.615 176.870 -0.211 0.000 1.115 289 L CA -0.498 54.220 54.840 -0.204 0.000 0.893 289 L CB 0.716 42.708 42.059 -0.112 0.000 1.670 289 L HN 0.649 nan 8.230 nan 0.000 0.531 290 S N -0.015 115.594 115.700 -0.153 0.000 2.345 290 S HA -0.066 4.402 4.470 -0.004 0.000 0.220 290 S C 0.884 175.391 174.600 -0.155 0.000 1.031 290 S CA 1.188 59.307 58.200 -0.136 0.000 0.996 290 S CB -0.179 62.967 63.200 -0.089 0.000 0.882 290 S HN 0.586 nan 8.310 nan 0.000 0.445 291 N N 1.129 119.749 118.700 -0.133 0.000 2.365 291 N HA 0.226 4.964 4.740 -0.004 0.000 0.257 291 N C -0.732 174.686 175.510 -0.153 0.000 1.287 291 N CA 0.119 53.088 53.050 -0.135 0.000 0.882 291 N CB 1.069 39.515 38.487 -0.069 0.000 1.250 291 N HN 0.434 nan 8.380 nan 0.000 0.507 292 S N -1.033 114.533 115.700 -0.224 0.000 2.615 292 S HA 0.564 5.032 4.470 -0.004 0.000 0.269 292 S C -1.640 172.787 174.600 -0.288 0.000 1.161 292 S CA -0.971 57.127 58.200 -0.170 0.000 0.817 292 S CB 1.345 64.555 63.200 0.016 0.000 1.131 292 S HN 0.189 nan 8.310 nan 0.000 0.467 293 W N 0.734 122.039 121.300 0.009 0.000 2.516 293 W HA 0.720 5.378 4.660 -0.003 0.000 0.343 293 W C -0.604 175.907 176.519 -0.014 0.000 1.094 293 W CA -0.638 56.671 57.345 -0.059 0.000 1.250 293 W CB 1.109 30.562 29.460 -0.013 0.000 1.308 293 W HN 0.632 nan 8.180 nan 0.000 0.588 294 F N 2.812 122.748 119.950 -0.024 0.000 2.482 294 F HA 0.653 5.178 4.527 -0.003 0.000 0.331 294 F C -0.837 174.902 175.800 -0.101 0.000 1.115 294 F CA -1.306 56.658 58.000 -0.060 0.000 0.955 294 F CB 0.607 39.538 39.000 -0.114 0.000 1.136 294 F HN 0.212 nan 8.300 nan 0.000 0.452 295 C N 4.065 122.780 119.300 -0.975 0.000 2.408 295 C HA 0.872 5.330 4.460 -0.004 0.000 0.321 295 C C 0.365 174.564 174.990 -1.317 0.000 1.245 295 C CA -0.818 57.681 59.018 -0.866 0.000 1.523 295 C CB 0.744 28.382 27.740 -0.169 0.000 2.178 295 C HN 1.089 nan 8.230 nan 0.000 0.488 296 G N 2.817 110.975 108.800 -1.069 0.000 2.530 296 G HA2 0.702 4.660 3.960 -0.004 0.000 0.316 296 G HA3 0.702 4.660 3.960 -0.004 0.000 0.316 296 G C -1.150 173.651 174.900 -0.166 0.000 1.298 296 G CA -0.353 44.450 45.100 -0.495 0.000 0.948 296 G HN 0.682 nan 8.290 nan 0.000 0.486 297 L N 2.743 123.969 121.223 0.004 0.000 2.334 297 L HA 0.551 4.889 4.340 -0.004 0.000 0.270 297 L C -1.827 175.133 176.870 0.149 0.000 1.018 297 L CA -2.224 52.706 54.840 0.152 0.000 0.811 297 L CB 2.532 44.676 42.059 0.140 0.000 1.271 297 L HN 0.329 nan 8.230 nan 0.000 0.443 298 P HA 0.036 nan 4.420 nan 0.000 0.272 298 P C 0.421 177.792 177.300 0.119 0.000 1.230 298 P CA -0.230 62.974 63.100 0.174 0.000 0.788 298 P CB 0.812 32.649 31.700 0.228 0.000 0.949 299 G N 1.232 110.082 108.800 0.084 0.000 2.448 299 G HA2 -0.179 3.778 3.960 -0.004 0.000 0.218 299 G HA3 -0.179 3.778 3.960 -0.004 0.000 0.218 299 G C 0.723 175.620 174.900 -0.006 0.000 1.135 299 G CA 0.157 45.275 45.100 0.031 0.000 0.784 299 G HN 0.656 nan 8.290 nan 0.000 0.543 300 N N 0.950 119.641 118.700 -0.016 0.000 2.452 300 N HA 0.200 4.938 4.740 -0.004 0.000 0.266 300 N C -1.275 174.266 175.510 0.052 0.000 1.209 300 N CA -1.190 51.798 53.050 -0.102 0.000 0.929 300 N CB 1.482 39.801 38.487 -0.280 0.000 1.063 300 N HN -0.151 nan 8.380 nan 0.000 0.472 301 P HA -0.224 nan 4.420 nan 0.000 0.216 301 P C 1.092 178.615 177.300 0.371 0.000 1.154 301 P CA 0.934 64.129 63.100 0.159 0.000 0.865 301 P CB 0.223 31.994 31.700 0.117 0.000 0.789 302 V N -0.733 119.426 119.914 0.408 0.000 2.379 302 V HA -0.177 3.941 4.120 -0.004 0.000 0.245 302 V C 2.388 178.726 176.094 0.407 0.000 1.044 302 V CA 2.202 64.800 62.300 0.496 0.000 1.036 302 V CB -1.416 30.680 31.823 0.455 0.000 0.664 302 V HN 0.140 nan 8.190 nan 0.000 0.453 303 S N 0.034 115.956 115.700 0.371 0.000 2.399 303 S HA -0.126 4.342 4.470 -0.004 0.000 0.231 303 S C 2.157 176.908 174.600 0.252 0.000 1.022 303 S CA 1.359 59.756 58.200 0.328 0.000 0.983 303 S CB -0.349 63.080 63.200 0.381 0.000 0.803 303 S HN 0.644 nan 8.310 nan 0.000 0.480 304 A N 1.167 124.126 122.820 0.231 0.000 1.840 304 A HA -0.068 4.250 4.320 -0.004 0.000 0.214 304 A C 2.340 180.050 177.584 0.209 0.000 1.198 304 A CA 1.913 54.067 52.037 0.195 0.000 0.608 304 A CB -1.457 17.623 19.000 0.135 0.000 0.839 304 A HN 0.423 nan 8.150 nan 0.000 0.443 305 T N 0.374 115.051 114.554 0.204 0.000 2.665 305 T HA -0.156 4.192 4.350 -0.004 0.000 0.268 305 T C 1.826 176.665 174.700 0.232 0.000 1.035 305 T CA 1.499 63.703 62.100 0.174 0.000 1.151 305 T CB -0.352 68.538 68.868 0.038 0.000 0.862 305 T HN 0.304 nan 8.240 nan 0.000 0.438 306 L N 0.598 121.945 121.223 0.208 0.000 2.093 306 L HA -0.102 4.236 4.340 -0.004 0.000 0.208 306 L C 2.395 179.268 176.870 0.005 0.000 1.085 306 L CA 1.787 56.685 54.840 0.096 0.000 0.755 306 L CB -1.179 40.926 42.059 0.077 0.000 0.904 306 L HN 0.330 nan 8.230 nan 0.000 0.435 307 T N -0.034 114.556 114.554 0.060 0.000 2.701 307 T HA -0.227 4.121 4.350 -0.004 0.000 0.263 307 T C 1.590 176.266 174.700 -0.040 0.000 1.040 307 T CA 1.603 63.677 62.100 -0.043 0.000 1.147 307 T CB -0.559 68.338 68.868 0.047 0.000 0.865 307 T HN 0.372 nan 8.240 nan 0.000 0.426 308 F N 0.826 120.771 119.950 -0.008 0.000 2.085 308 F HA -0.281 4.244 4.527 -0.004 0.000 0.299 308 F C 2.141 177.935 175.800 -0.011 0.000 1.096 308 F CA 1.566 59.565 58.000 -0.001 0.000 1.227 308 F CB -0.519 38.497 39.000 0.026 0.000 0.983 308 F HN 0.230 nan 8.300 nan 0.000 0.482 309 Y N 0.383 120.681 120.300 -0.003 0.000 2.242 309 Y HA -0.176 4.372 4.550 -0.004 0.000 0.291 309 Y C 2.227 177.993 175.900 -0.223 0.000 1.137 309 Y CA 1.580 59.636 58.100 -0.074 0.000 1.181 309 Y CB -0.138 38.386 38.460 0.107 0.000 0.989 309 Y HN 0.120 nan 8.280 nan 0.000 0.527 310 Q N -0.649 119.114 119.800 -0.062 0.000 2.408 310 Q HA 0.106 4.444 4.340 -0.004 0.000 0.205 310 Q C 1.656 177.491 176.000 -0.274 0.000 0.919 310 Q CA 0.644 56.327 55.803 -0.201 0.000 0.932 310 Q CB 0.896 29.404 28.738 -0.382 0.000 1.058 310 Q HN 0.539 nan 8.270 nan 0.000 0.517 311 L N -1.503 119.511 121.223 -0.349 0.000 2.588 311 L HA 0.084 4.422 4.340 -0.004 0.000 0.194 311 L C 2.022 178.665 176.870 -0.378 0.000 1.070 311 L CA 0.230 54.824 54.840 -0.410 0.000 0.852 311 L CB 0.025 41.683 42.059 -0.669 0.000 1.199 311 L HN -0.133 nan 8.230 nan 0.000 0.486 312 V N -0.107 119.543 119.914 -0.440 0.000 2.346 312 V HA -0.236 3.881 4.120 -0.004 0.000 0.244 312 V C 2.292 178.062 176.094 -0.540 0.000 1.037 312 V CA 1.598 63.632 62.300 -0.443 0.000 1.029 312 V CB -0.399 31.109 31.823 -0.525 0.000 0.663 312 V HN 0.449 nan 8.190 nan 0.000 0.454 313 Q N 0.234 119.576 119.800 -0.762 0.000 2.047 313 Q HA -0.238 4.100 4.340 -0.004 0.000 0.211 313 Q C -0.015 175.780 176.000 -0.342 0.000 1.005 313 Q CA 2.979 58.441 55.803 -0.568 0.000 0.866 313 Q CB -1.150 27.233 28.738 -0.592 0.000 0.938 313 Q HN 0.518 nan 8.270 nan 0.000 0.414 314 P HA -0.206 nan 4.420 nan 0.000 0.215 314 P C 1.581 178.766 177.300 -0.192 0.000 1.153 314 P CA 1.190 64.161 63.100 -0.215 0.000 0.853 314 P CB -0.283 31.296 31.700 -0.201 0.000 0.788 315 L N -0.892 120.202 121.223 -0.214 0.000 2.079 315 L HA -0.159 4.178 4.340 -0.004 0.000 0.210 315 L C 2.588 179.369 176.870 -0.147 0.000 1.081 315 L CA 1.454 56.179 54.840 -0.191 0.000 0.752 315 L CB -0.659 41.285 42.059 -0.190 0.000 0.896 315 L HN -0.144 nan 8.230 nan 0.000 0.433 316 L N -0.653 120.483 121.223 -0.146 0.000 2.093 316 L HA -0.162 4.176 4.340 -0.004 0.000 0.208 316 L C 2.853 179.673 176.870 -0.082 0.000 1.085 316 L CA 0.907 55.691 54.840 -0.092 0.000 0.755 316 L CB -0.902 41.102 42.059 -0.092 0.000 0.904 316 L HN 0.342 nan 8.230 nan 0.000 0.435 317 A N 0.645 123.399 122.820 -0.109 0.000 1.873 317 A HA -0.315 4.003 4.320 -0.004 0.000 0.218 317 A C 2.389 179.930 177.584 -0.072 0.000 1.193 317 A CA 2.447 54.429 52.037 -0.091 0.000 0.629 317 A CB -0.503 18.433 19.000 -0.107 0.000 0.826 317 A HN 0.350 nan 8.150 nan 0.000 0.447 318 K N -0.679 119.672 120.400 -0.082 0.000 2.062 318 K HA 0.066 4.384 4.320 -0.004 0.000 0.205 318 K C 1.885 178.461 176.600 -0.039 0.000 1.051 318 K CA 0.982 57.230 56.287 -0.065 0.000 0.941 318 K CB -0.305 32.143 32.500 -0.086 0.000 0.719 318 K HN 0.409 nan 8.250 nan 0.000 0.440 319 L N 1.125 122.326 121.223 -0.037 0.000 2.127 319 L HA -0.196 4.142 4.340 -0.004 0.000 0.211 319 L C 2.287 179.165 176.870 0.013 0.000 1.089 319 L CA 1.632 56.477 54.840 0.008 0.000 0.757 319 L CB -0.361 41.714 42.059 0.026 0.000 0.899 319 L HN 0.380 nan 8.230 nan 0.000 0.434 320 S N -1.228 114.467 115.700 -0.008 0.000 2.481 320 S HA 0.028 4.496 4.470 -0.004 0.000 0.231 320 S C 1.585 176.180 174.600 -0.009 0.000 0.996 320 S CA 0.629 58.825 58.200 -0.008 0.000 0.942 320 S CB 0.216 63.402 63.200 -0.024 0.000 0.768 320 S HN 0.566 nan 8.310 nan 0.000 0.520 321 G N 1.130 109.924 108.800 -0.010 0.000 2.179 321 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.220 321 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.220 321 G C -0.116 174.772 174.900 -0.019 0.000 0.990 321 G CA -0.075 45.020 45.100 -0.009 0.000 0.646 321 G HN 0.658 nan 8.290 nan 0.000 0.517 322 N N 1.382 120.064 118.700 -0.030 0.000 2.475 322 N HA 0.351 5.089 4.740 -0.004 0.000 0.267 322 N C 1.808 177.298 175.510 -0.033 0.000 1.169 322 N CA 0.909 53.936 53.050 -0.038 0.000 0.947 322 N CB 1.125 39.582 38.487 -0.050 0.000 1.061 322 N HN 0.399 nan 8.380 nan 0.000 0.466 323 T N 0.556 115.094 114.554 -0.027 0.000 3.014 323 T HA 0.180 4.528 4.350 -0.004 0.000 0.263 323 T C 0.869 175.554 174.700 -0.025 0.000 1.078 323 T CA 0.240 62.328 62.100 -0.021 0.000 1.135 323 T CB -0.139 68.722 68.868 -0.011 0.000 0.895 323 T HN 0.527 nan 8.240 nan 0.000 0.480 324 A N 2.695 125.498 122.820 -0.028 0.000 2.409 324 A HA 0.546 4.863 4.320 -0.004 0.000 0.262 324 A C 0.748 178.310 177.584 -0.037 0.000 1.113 324 A CA -0.581 51.440 52.037 -0.028 0.000 0.790 324 A CB -0.047 18.937 19.000 -0.026 0.000 1.046 324 A HN 0.612 nan 8.150 nan 0.000 0.496 325 S N 1.969 117.648 115.700 -0.035 0.000 2.546 325 S HA 0.294 4.762 4.470 -0.004 0.000 0.290 325 S C 0.763 175.334 174.600 -0.048 0.000 1.290 325 S CA 0.009 58.181 58.200 -0.046 0.000 1.069 325 S CB 0.752 63.929 63.200 -0.038 0.000 0.846 325 S HN 1.331 nan 8.310 nan 0.000 0.495 326 G N 2.262 111.020 108.800 -0.070 0.000 3.882 326 G HA2 0.471 4.429 3.960 -0.004 0.000 0.283 326 G HA3 0.471 4.429 3.960 -0.004 0.000 0.283 326 G C -0.608 174.237 174.900 -0.091 0.000 1.283 326 G CA -0.232 44.821 45.100 -0.077 0.000 1.402 326 G HN 0.533 nan 8.290 nan 0.000 0.618 327 L N 0.455 121.649 121.223 -0.049 0.000 2.409 327 L HA 0.621 4.959 4.340 -0.004 0.000 0.262 327 L C -2.248 174.654 176.870 0.053 0.000 0.992 327 L CA -2.248 52.583 54.840 -0.016 0.000 0.817 327 L CB 2.452 44.504 42.059 -0.012 0.000 1.350 327 L HN -0.029 nan 8.230 nan 0.000 0.411 328 P HA 0.441 nan 4.420 nan 0.000 0.272 328 P C -1.141 176.230 177.300 0.118 0.000 1.230 328 P CA -0.484 62.695 63.100 0.131 0.000 0.788 328 P CB 0.517 32.333 31.700 0.194 0.000 0.949 329 A N 2.107 124.981 122.820 0.090 0.000 2.322 329 A HA 0.405 4.722 4.320 -0.004 0.000 0.269 329 A C 0.281 177.914 177.584 0.082 0.000 1.094 329 A CA -0.462 51.617 52.037 0.069 0.000 0.807 329 A CB 0.207 19.234 19.000 0.045 0.000 1.047 329 A HN 0.504 nan 8.150 nan 0.000 0.487 330 R N 0.356 120.896 120.500 0.066 0.000 2.573 330 R HA 0.535 4.872 4.340 -0.004 0.000 0.272 330 R C -0.442 175.879 176.300 0.035 0.000 1.009 330 R CA -0.599 55.539 56.100 0.063 0.000 1.059 330 R CB 0.874 31.208 30.300 0.057 0.000 1.112 330 R HN 0.888 nan 8.270 nan 0.000 0.517 331 Q N 0.725 120.546 119.800 0.034 0.000 2.421 331 Q HA 0.407 4.745 4.340 -0.004 0.000 0.280 331 Q C -1.187 174.827 176.000 0.023 0.000 1.085 331 Q CA -1.158 54.655 55.803 0.017 0.000 0.807 331 Q CB 2.336 31.088 28.738 0.024 0.000 1.405 331 Q HN 0.502 nan 8.270 nan 0.000 0.419 332 R N 1.546 122.043 120.500 -0.004 0.000 2.265 332 R HA 0.595 4.932 4.340 -0.004 0.000 0.314 332 R C -1.407 174.978 176.300 0.142 0.000 1.053 332 R CA -0.219 55.891 56.100 0.017 0.000 0.931 332 R CB 1.092 31.301 30.300 -0.151 0.000 1.024 332 R HN 0.553 nan 8.270 nan 0.000 0.457 333 V N 4.124 124.208 119.914 0.283 0.000 3.114 333 V HA 0.414 4.532 4.120 -0.004 0.000 0.308 333 V C -0.355 175.931 176.094 0.321 0.000 1.168 333 V CA -1.017 61.480 62.300 0.328 0.000 1.015 333 V CB 2.335 34.240 31.823 0.137 0.000 1.050 333 V HN 0.785 nan 8.190 nan 0.000 0.433 334 R N 1.111 121.657 120.500 0.077 0.000 2.389 334 R HA 0.414 4.752 4.340 -0.004 0.000 0.295 334 R C -0.354 175.874 176.300 -0.120 0.000 1.075 334 R CA -0.204 55.762 56.100 -0.223 0.000 1.005 334 R CB 1.020 31.089 30.300 -0.385 0.000 0.987 334 R HN 0.808 nan 8.270 nan 0.000 0.452 335 T N 1.689 116.166 114.554 -0.128 0.000 2.907 335 T HA 0.191 4.539 4.350 -0.004 0.000 0.298 335 T C 0.799 175.435 174.700 -0.107 0.000 1.017 335 T CA -0.375 61.670 62.100 -0.092 0.000 1.118 335 T CB 1.552 70.372 68.868 -0.079 0.000 0.948 335 T HN 0.691 nan 8.240 nan 0.000 0.531 336 A N 2.026 124.796 122.820 -0.083 0.000 2.503 336 A HA 0.552 4.870 4.320 -0.004 0.000 0.263 336 A C 0.548 178.093 177.584 -0.065 0.000 1.258 336 A CA -0.415 51.575 52.037 -0.078 0.000 0.936 336 A CB 0.302 19.262 19.000 -0.067 0.000 1.070 336 A HN 0.615 nan 8.150 nan 0.000 0.522 337 S N -0.416 115.245 115.700 -0.064 0.000 2.546 337 S HA 0.449 4.917 4.470 -0.004 0.000 0.274 337 S C -0.415 174.151 174.600 -0.056 0.000 1.121 337 S CA -0.747 57.419 58.200 -0.056 0.000 0.887 337 S CB 1.631 64.800 63.200 -0.053 0.000 1.094 337 S HN 0.470 nan 8.310 nan 0.000 0.474 338 R N 2.011 122.480 120.500 -0.052 0.000 2.449 338 R HA 0.266 4.604 4.340 -0.004 0.000 0.296 338 R C -1.071 175.199 176.300 -0.051 0.000 1.047 338 R CA 0.099 56.169 56.100 -0.050 0.000 1.018 338 R CB -0.055 30.218 30.300 -0.044 0.000 0.962 338 R HN 0.547 nan 8.270 nan 0.000 0.428 339 L N 4.825 126.018 121.223 -0.050 0.000 2.307 339 L HA 0.419 4.757 4.340 -0.004 0.000 0.284 339 L C -0.072 176.767 176.870 -0.052 0.000 1.023 339 L CA -0.807 54.002 54.840 -0.052 0.000 0.810 339 L CB 1.689 43.720 42.059 -0.047 0.000 1.231 339 L HN 0.412 nan 8.230 nan 0.000 0.423 340 K N 2.991 123.355 120.400 -0.060 0.000 2.258 340 K HA 0.445 4.762 4.320 -0.004 0.000 0.284 340 K C -0.593 175.973 176.600 -0.056 0.000 1.051 340 K CA -0.425 55.827 56.287 -0.060 0.000 0.923 340 K CB 1.165 33.621 32.500 -0.074 0.000 1.046 340 K HN 0.321 nan 8.250 nan 0.000 0.474 341 K N 1.130 121.500 120.400 -0.049 0.000 2.543 341 K HA 0.297 4.615 4.320 -0.004 0.000 0.255 341 K C -1.553 175.022 176.600 -0.042 0.000 0.934 341 K CA -0.374 55.885 56.287 -0.046 0.000 0.810 341 K CB 1.954 34.427 32.500 -0.045 0.000 1.315 341 K HN 0.363 nan 8.250 nan 0.000 0.433 342 T N 5.791 120.321 114.554 -0.041 0.000 2.779 342 T HA 0.494 4.842 4.350 -0.004 0.000 0.280 342 T C -2.581 172.098 174.700 -0.034 0.000 0.987 342 T CA -1.467 60.611 62.100 -0.036 0.000 0.966 342 T CB 1.500 70.345 68.868 -0.038 0.000 0.933 342 T HN 0.468 nan 8.240 nan 0.000 0.442 343 P HA 0.312 nan 4.420 nan 0.000 0.269 343 P C 1.030 178.315 177.300 -0.025 0.000 1.217 343 P CA 0.695 63.778 63.100 -0.028 0.000 0.783 343 P CB 0.396 32.082 31.700 -0.024 0.000 0.898 344 G N 0.132 108.918 108.800 -0.024 0.000 2.307 344 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.210 344 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.210 344 G C 0.006 174.896 174.900 -0.018 0.000 1.005 344 G CA -0.456 44.633 45.100 -0.018 0.000 0.634 344 G HN 0.570 nan 8.290 nan 0.000 0.496 345 R N -0.245 120.241 120.500 -0.024 0.000 2.574 345 R HA 0.502 4.839 4.340 -0.004 0.000 0.288 345 R C -1.164 175.114 176.300 -0.036 0.000 1.004 345 R CA -0.929 55.160 56.100 -0.018 0.000 0.895 345 R CB 2.237 32.529 30.300 -0.012 0.000 1.191 345 R HN 0.227 nan 8.270 nan 0.000 0.444 346 L N 3.180 124.381 121.223 -0.036 0.000 2.456 346 L HA 0.109 4.447 4.340 -0.004 0.000 0.277 346 L C -0.420 176.391 176.870 -0.098 0.000 1.124 346 L CA 0.565 55.344 54.840 -0.102 0.000 0.880 346 L CB 0.047 42.052 42.059 -0.090 0.000 1.192 346 L HN 0.420 nan 8.230 nan 0.000 0.463 347 D N 4.780 125.082 120.400 -0.163 0.000 2.349 347 D HA 0.199 4.837 4.640 -0.004 0.000 0.232 347 D C -1.066 175.159 176.300 -0.125 0.000 1.071 347 D CA -0.197 53.765 54.000 -0.064 0.000 0.832 347 D CB 0.521 41.294 40.800 -0.044 0.000 1.086 347 D HN 0.310 nan 8.370 nan 0.000 0.504 348 F N 3.294 123.240 119.950 -0.006 0.000 2.395 348 F HA 0.238 4.763 4.527 -0.003 0.000 0.347 348 F C 1.232 177.126 175.800 0.157 0.000 1.157 348 F CA -0.583 57.425 58.000 0.013 0.000 1.272 348 F CB 0.439 39.319 39.000 -0.201 0.000 1.607 348 F HN 0.112 nan 8.300 nan 0.000 0.571 349 Q N 1.539 121.482 119.800 0.237 0.000 2.396 349 Q HA 0.494 4.832 4.340 -0.004 0.000 0.221 349 Q C -0.093 176.023 176.000 0.193 0.000 1.025 349 Q CA -0.571 55.326 55.803 0.156 0.000 0.946 349 Q CB 1.087 29.851 28.738 0.044 0.000 1.224 349 Q HN 0.460 nan 8.270 nan 0.000 0.539 350 R N -0.800 119.705 120.500 0.009 0.000 2.711 350 R HA 0.726 5.064 4.340 -0.004 0.000 0.284 350 R C -0.350 175.855 176.300 -0.158 0.000 0.968 350 R CA -0.266 55.754 56.100 -0.133 0.000 0.924 350 R CB 1.919 32.057 30.300 -0.270 0.000 1.162 350 R HN 0.750 nan 8.270 nan 0.000 0.465 351 G N -0.087 108.573 108.800 -0.233 0.000 2.827 351 G HA2 0.548 4.506 3.960 -0.004 0.000 0.296 351 G HA3 0.548 4.506 3.960 -0.004 0.000 0.296 351 G C -1.627 173.125 174.900 -0.247 0.000 1.362 351 G CA -0.533 44.453 45.100 -0.189 0.000 0.809 351 G HN 0.327 nan 8.290 nan 0.000 0.522 352 V N 0.592 120.403 119.914 -0.172 0.000 2.444 352 V HA 0.444 4.562 4.120 -0.004 0.000 0.294 352 V C -0.869 175.153 176.094 -0.121 0.000 1.022 352 V CA -0.671 61.536 62.300 -0.154 0.000 0.850 352 V CB 1.420 33.181 31.823 -0.103 0.000 0.992 352 V HN 0.549 nan 8.190 nan 0.000 0.426 353 L N 6.416 127.565 121.223 -0.124 0.000 2.261 353 L HA 0.534 4.872 4.340 -0.004 0.000 0.289 353 L C 0.049 176.887 176.870 -0.054 0.000 1.059 353 L CA 0.489 55.281 54.840 -0.081 0.000 0.816 353 L CB 0.812 42.822 42.059 -0.083 0.000 1.191 353 L HN 0.881 nan 8.230 nan 0.000 0.431 354 Q N 4.772 124.548 119.800 -0.040 0.000 2.421 354 Q HA 0.464 4.801 4.340 -0.004 0.000 0.280 354 Q C -0.947 175.042 176.000 -0.017 0.000 1.085 354 Q CA -1.011 54.776 55.803 -0.026 0.000 0.807 354 Q CB 1.609 30.331 28.738 -0.027 0.000 1.405 354 Q HN 0.489 nan 8.270 nan 0.000 0.419 355 R N 2.127 122.621 120.500 -0.010 0.000 2.538 355 R HA 0.042 4.380 4.340 -0.004 0.000 0.282 355 R C 0.471 176.766 176.300 -0.009 0.000 1.009 355 R CA 0.322 56.419 56.100 -0.005 0.000 1.063 355 R CB 0.194 30.493 30.300 -0.001 0.000 0.945 355 R HN 0.712 nan 8.270 nan 0.000 0.414 356 N N 2.359 121.053 118.700 -0.010 0.000 2.418 356 N HA 0.083 4.821 4.740 -0.004 0.000 0.283 356 N C 0.746 176.250 175.510 -0.009 0.000 1.267 356 N CA 0.070 53.112 53.050 -0.014 0.000 0.975 356 N CB 0.112 38.587 38.487 -0.020 0.000 1.167 356 N HN 0.416 nan 8.380 nan 0.000 0.581 357 A N -0.281 122.532 122.820 -0.011 0.000 1.917 357 A HA -0.215 4.103 4.320 -0.004 0.000 0.219 357 A C 1.387 178.968 177.584 -0.004 0.000 1.182 357 A CA 1.881 53.913 52.037 -0.008 0.000 0.633 357 A CB -0.950 18.044 19.000 -0.010 0.000 0.819 357 A HN 0.797 nan 8.150 nan 0.000 0.448 358 D N -1.377 119.021 120.400 -0.005 0.000 2.371 358 D HA 0.128 4.766 4.640 -0.004 0.000 0.221 358 D C 1.423 177.726 176.300 0.006 0.000 0.986 358 D CA 1.054 55.054 54.000 0.000 0.000 0.899 358 D CB -0.119 40.681 40.800 0.000 0.000 0.902 358 D HN 0.697 nan 8.370 nan 0.000 0.530 359 G N 1.886 110.689 108.800 0.005 0.000 2.179 359 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.260 359 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.260 359 G C 0.187 175.096 174.900 0.014 0.000 0.977 359 G CA 0.535 45.641 45.100 0.009 0.000 0.641 359 G HN 0.514 nan 8.290 nan 0.000 0.533 360 E N -0.031 120.179 120.200 0.017 0.000 2.314 360 E HA 0.716 5.064 4.350 -0.004 0.000 0.262 360 E C -0.221 176.393 176.600 0.023 0.000 1.093 360 E CA -1.097 55.321 56.400 0.030 0.000 0.908 360 E CB 1.366 31.091 29.700 0.042 0.000 1.091 360 E HN 0.084 nan 8.360 nan 0.000 0.425 361 L N 1.628 122.874 121.223 0.038 0.000 2.334 361 L HA 0.284 4.622 4.340 -0.004 0.000 0.277 361 L C -0.320 176.563 176.870 0.022 0.000 1.075 361 L CA 0.133 54.989 54.840 0.028 0.000 0.804 361 L CB 0.745 42.827 42.059 0.038 0.000 1.174 361 L HN 0.802 nan 8.230 nan 0.000 0.438 362 E N 2.685 122.883 120.200 -0.004 0.000 2.390 362 E HA 0.676 5.024 4.350 -0.004 0.000 0.277 362 E C -1.641 174.939 176.600 -0.033 0.000 0.939 362 E CA -1.026 55.360 56.400 -0.023 0.000 0.769 362 E CB 1.840 31.513 29.700 -0.045 0.000 1.251 362 E HN 0.217 nan 8.360 nan 0.000 0.450 363 V N -0.384 119.505 119.914 -0.040 0.000 2.581 363 V HA 0.655 4.773 4.120 -0.004 0.000 0.303 363 V C -0.260 175.798 176.094 -0.060 0.000 1.041 363 V CA -0.617 61.650 62.300 -0.054 0.000 0.907 363 V CB 1.357 33.148 31.823 -0.053 0.000 0.994 363 V HN 0.774 nan 8.190 nan 0.000 0.442 364 T N 2.091 116.605 114.554 -0.066 0.000 2.855 364 T HA 0.427 4.774 4.350 -0.004 0.000 0.281 364 T C 0.235 174.892 174.700 -0.072 0.000 1.007 364 T CA -0.203 61.859 62.100 -0.064 0.000 1.009 364 T CB 1.547 70.381 68.868 -0.057 0.000 0.983 364 T HN 1.039 nan 8.240 nan 0.000 0.455 365 T N 1.179 115.694 114.554 -0.065 0.000 2.855 365 T HA 0.055 4.403 4.350 -0.004 0.000 0.322 365 T C 1.786 176.443 174.700 -0.071 0.000 1.088 365 T CA 0.529 62.588 62.100 -0.068 0.000 1.104 365 T CB 0.262 69.096 68.868 -0.057 0.000 0.996 365 T HN 0.813 nan 8.240 nan 0.000 0.549 366 T N 0.990 115.494 114.554 -0.083 0.000 2.985 366 T HA 0.443 4.791 4.350 -0.004 0.000 0.266 366 T C 1.244 175.914 174.700 -0.048 0.000 1.076 366 T CA 0.656 62.707 62.100 -0.081 0.000 1.135 366 T CB -0.398 68.401 68.868 -0.116 0.000 0.890 366 T HN 1.307 nan 8.240 nan 0.000 0.480 367 G N 0.118 108.899 108.800 -0.032 0.000 2.260 367 G HA2 0.102 4.060 3.960 -0.004 0.000 0.250 367 G HA3 0.102 4.060 3.960 -0.004 0.000 0.250 367 G C -0.981 173.942 174.900 0.039 0.000 1.340 367 G CA -0.585 44.520 45.100 0.009 0.000 1.056 367 G HN 0.667 nan 8.290 nan 0.000 0.471 368 H N 0.809 119.875 119.070 -0.006 0.000 3.038 368 H HA 0.327 4.881 4.556 -0.004 0.000 0.338 368 H C 1.060 176.387 175.328 -0.001 0.000 1.041 368 H CA 1.039 57.102 56.048 0.025 0.000 1.394 368 H CB 0.795 30.608 29.762 0.085 0.000 1.357 368 H HN 0.324 nan 8.280 nan 0.000 0.600 369 Q N 3.448 123.289 119.800 0.068 0.000 2.179 369 Q HA 0.186 4.524 4.340 -0.004 0.000 0.213 369 Q C 0.646 176.770 176.000 0.207 0.000 0.833 369 Q CA 0.245 56.095 55.803 0.077 0.000 0.990 369 Q CB 0.993 29.723 28.738 -0.013 0.000 1.132 369 Q HN 0.795 nan 8.270 nan 0.000 0.493 370 G N 0.602 109.736 108.800 0.557 0.000 2.594 370 G HA2 0.098 4.056 3.960 -0.004 0.000 0.243 370 G HA3 0.098 4.056 3.960 -0.004 0.000 0.243 370 G C 0.262 175.444 174.900 0.470 0.000 1.229 370 G CA -0.373 45.086 45.100 0.598 0.000 0.843 370 G HN 0.441 nan 8.290 nan 0.000 0.578 371 W N 1.779 123.229 121.300 0.251 0.000 3.388 371 W HA 0.132 4.790 4.660 -0.004 0.000 0.324 371 W C 0.766 177.387 176.519 0.172 0.000 1.250 371 W CA -0.090 57.356 57.345 0.169 0.000 1.809 371 W CB -1.355 28.211 29.460 0.177 0.000 1.083 371 W HN 0.741 nan 8.180 nan 0.000 0.685 372 H N 0.823 120.072 119.070 0.299 0.000 2.539 372 H HA 0.310 4.863 4.556 -0.004 0.000 0.267 372 H C 0.179 175.547 175.328 0.067 0.000 0.982 372 H CA 0.352 56.439 56.048 0.064 0.000 1.146 372 H CB -0.600 29.218 29.762 0.093 0.000 1.382 372 H HN 0.325 nan 8.280 nan 0.000 0.577 373 I N -4.917 115.513 120.570 -0.234 0.000 2.969 373 I HA 0.311 4.479 4.170 -0.004 0.000 0.307 373 I C -0.373 175.798 176.117 0.091 0.000 1.149 373 I CA -1.290 59.941 61.300 -0.114 0.000 1.008 373 I CB 1.615 39.455 38.000 -0.267 0.000 1.232 373 I HN -0.210 nan 8.210 nan 0.000 0.435 374 F N 1.342 121.296 119.950 0.007 0.000 2.717 374 F HA 0.070 4.595 4.527 -0.003 0.000 0.297 374 F C 2.365 178.217 175.800 0.086 0.000 1.113 374 F CA 0.926 59.004 58.000 0.130 0.000 1.319 374 F CB 0.467 39.550 39.000 0.138 0.000 1.097 374 F HN 0.621 nan 8.300 nan 0.000 0.595 375 S N -0.741 115.003 115.700 0.074 0.000 2.469 375 S HA -0.204 4.263 4.470 -0.004 0.000 0.238 375 S C 2.219 176.750 174.600 -0.114 0.000 0.998 375 S CA 1.016 59.225 58.200 0.015 0.000 0.957 375 S CB -1.135 62.073 63.200 0.014 0.000 0.764 375 S HN 0.461 nan 8.310 nan 0.000 0.514 376 S N 1.675 117.222 115.700 -0.256 0.000 2.399 376 S HA -0.088 4.380 4.470 -0.004 0.000 0.231 376 S C 1.491 175.809 174.600 -0.470 0.000 1.022 376 S CA 0.794 58.773 58.200 -0.369 0.000 0.983 376 S CB -1.123 61.802 63.200 -0.458 0.000 0.803 376 S HN 0.537 nan 8.310 nan 0.000 0.480 377 F N 1.650 121.337 119.950 -0.438 0.000 2.269 377 F HA 0.022 4.546 4.527 -0.003 0.000 0.301 377 F C 3.086 178.681 175.800 -0.342 0.000 1.082 377 F CA 1.050 58.663 58.000 -0.644 0.000 1.360 377 F CB -0.380 37.965 39.000 -1.091 0.000 1.041 377 F HN 0.349 nan 8.300 nan 0.000 0.512 378 S N 0.081 115.773 115.700 -0.013 0.000 2.387 378 S HA -0.003 4.465 4.470 -0.004 0.000 0.221 378 S C 1.998 176.620 174.600 0.036 0.000 1.041 378 S CA 0.486 58.718 58.200 0.054 0.000 0.959 378 S CB -0.331 62.917 63.200 0.081 0.000 0.843 378 S HN 0.257 nan 8.310 nan 0.000 0.488 379 L N 1.436 122.653 121.223 -0.009 0.000 2.131 379 L HA 0.103 4.441 4.340 -0.004 0.000 0.210 379 L C 1.724 178.565 176.870 -0.047 0.000 1.092 379 L CA 0.561 55.385 54.840 -0.026 0.000 0.759 379 L CB -1.026 41.003 42.059 -0.049 0.000 0.903 379 L HN 0.333 nan 8.230 nan 0.000 0.435 380 G N 0.220 108.981 108.800 -0.065 0.000 2.651 380 G HA2 0.140 4.098 3.960 -0.004 0.000 0.260 380 G HA3 0.140 4.098 3.960 -0.004 0.000 0.260 380 G C 0.289 175.113 174.900 -0.127 0.000 1.216 380 G CA 0.129 45.145 45.100 -0.141 0.000 0.913 380 G HN 0.456 nan 8.290 nan 0.000 0.535 381 N N -2.538 115.879 118.700 -0.472 0.000 2.193 381 N HA 0.144 4.882 4.740 -0.004 0.000 0.236 381 N C -0.176 174.667 175.510 -1.110 0.000 1.347 381 N CA 0.190 52.940 53.050 -0.501 0.000 0.812 381 N CB -0.415 37.964 38.487 -0.179 0.000 1.297 381 N HN 0.981 nan 8.380 nan 0.000 0.499 382 C N -2.677 115.490 119.300 -1.888 0.000 3.176 382 C HA 0.699 5.157 4.460 -0.004 0.000 0.343 382 C C -1.488 172.856 174.990 -1.078 0.000 1.332 382 C CA -1.681 56.487 59.018 -1.415 0.000 1.200 382 C CB -0.123 27.313 27.740 -0.507 0.000 1.440 382 C HN 0.046 nan 8.230 nan 0.000 0.458 383 F N 1.261 121.082 119.950 -0.216 0.000 2.399 383 F HA 0.713 5.237 4.527 -0.004 0.000 0.334 383 F C 0.617 176.409 175.800 -0.014 0.000 1.097 383 F CA -0.713 57.303 58.000 0.027 0.000 1.076 383 F CB 1.230 40.406 39.000 0.292 0.000 1.162 383 F HN 0.432 nan 8.300 nan 0.000 0.495 384 I N 3.772 124.440 120.570 0.164 0.000 2.297 384 I HA 0.203 4.371 4.170 -0.004 0.000 0.291 384 I C -0.706 175.426 176.117 0.024 0.000 1.033 384 I CA -0.646 60.690 61.300 0.060 0.000 1.253 384 I CB 1.012 39.016 38.000 0.008 0.000 1.396 384 I HN 0.215 nan 8.210 nan 0.000 0.476 385 V N 7.928 127.811 119.914 -0.052 0.000 2.258 385 V HA 0.210 4.328 4.120 -0.004 0.000 0.258 385 V C 0.474 176.429 176.094 -0.231 0.000 1.121 385 V CA -0.383 61.753 62.300 -0.273 0.000 0.942 385 V CB -0.018 31.624 31.823 -0.303 0.000 1.170 385 V HN 0.513 nan 8.190 nan 0.000 0.487 386 L N 3.585 124.687 121.223 -0.201 0.000 2.410 386 L HA 0.258 4.596 4.340 -0.004 0.000 0.273 386 L C 0.777 177.551 176.870 -0.159 0.000 1.144 386 L CA -0.299 54.459 54.840 -0.136 0.000 0.863 386 L CB 0.464 42.466 42.059 -0.095 0.000 1.140 386 L HN 0.531 nan 8.230 nan 0.000 0.463 387 E N 1.752 121.884 120.200 -0.113 0.000 2.422 387 E HA -0.045 4.303 4.350 -0.004 0.000 0.260 387 E C 0.941 177.487 176.600 -0.089 0.000 1.108 387 E CA 0.010 56.348 56.400 -0.103 0.000 0.943 387 E CB 0.556 30.215 29.700 -0.068 0.000 0.961 387 E HN 0.378 nan 8.360 nan 0.000 0.443 388 R N 1.578 122.029 120.500 -0.080 0.000 2.081 388 R HA -0.185 4.153 4.340 -0.004 0.000 0.235 388 R C 0.576 176.847 176.300 -0.048 0.000 1.131 388 R CA 1.818 57.880 56.100 -0.063 0.000 0.960 388 R CB 0.066 30.336 30.300 -0.051 0.000 0.856 388 R HN 0.549 nan 8.270 nan 0.000 0.436 389 D N 0.015 120.390 120.400 -0.042 0.000 2.347 389 D HA -0.063 4.574 4.640 -0.004 0.000 0.213 389 D C 0.318 176.599 176.300 -0.031 0.000 0.985 389 D CA 0.288 54.269 54.000 -0.032 0.000 0.879 389 D CB -0.026 40.757 40.800 -0.028 0.000 0.919 389 D HN 0.154 nan 8.370 nan 0.000 0.526 390 R N 0.923 121.402 120.500 -0.036 0.000 2.489 390 R HA 0.300 4.637 4.340 -0.004 0.000 0.287 390 R C 0.729 177.010 176.300 -0.032 0.000 1.053 390 R CA -0.094 55.987 56.100 -0.032 0.000 1.036 390 R CB 0.698 30.977 30.300 -0.034 0.000 0.966 390 R HN -0.038 nan 8.270 nan 0.000 0.432 391 G N 2.618 111.401 108.800 -0.027 0.000 2.543 391 G HA2 0.050 4.008 3.960 -0.004 0.000 0.267 391 G HA3 0.050 4.008 3.960 -0.004 0.000 0.267 391 G C -0.506 174.376 174.900 -0.030 0.000 1.406 391 G CA -0.759 44.323 45.100 -0.029 0.000 1.048 391 G HN 0.688 nan 8.290 nan 0.000 0.548 392 N N -1.243 117.439 118.700 -0.031 0.000 2.206 392 N HA 0.030 4.768 4.740 -0.004 0.000 0.226 392 N C -0.327 175.164 175.510 -0.032 0.000 1.272 392 N CA 0.469 53.499 53.050 -0.034 0.000 0.863 392 N CB 0.686 39.154 38.487 -0.033 0.000 1.092 392 N HN 0.156 nan 8.380 nan 0.000 0.440 393 V N 0.377 120.269 119.914 -0.036 0.000 2.789 393 V HA 0.317 4.434 4.120 -0.004 0.000 0.311 393 V C -0.157 175.910 176.094 -0.045 0.000 1.073 393 V CA -0.828 61.449 62.300 -0.037 0.000 0.921 393 V CB 2.348 34.149 31.823 -0.036 0.000 1.009 393 V HN 0.515 nan 8.190 nan 0.000 0.426 394 E N 1.592 121.761 120.200 -0.051 0.000 2.221 394 E HA 0.499 4.847 4.350 -0.004 0.000 0.268 394 E C -0.798 175.756 176.600 -0.076 0.000 0.933 394 E CA -0.926 55.440 56.400 -0.057 0.000 0.809 394 E CB 2.596 32.265 29.700 -0.052 0.000 1.190 394 E HN 0.389 nan 8.360 nan 0.000 0.406 395 V N 1.575 121.444 119.914 -0.075 0.000 2.678 395 V HA 0.067 4.185 4.120 -0.004 0.000 0.304 395 V C 1.478 177.498 176.094 -0.122 0.000 1.086 395 V CA 2.104 64.350 62.300 -0.091 0.000 1.246 395 V CB -0.278 31.499 31.823 -0.077 0.000 0.861 395 V HN 1.088 nan 8.190 nan 0.000 0.491 396 G N 3.115 111.815 108.800 -0.167 0.000 2.232 396 G HA2 -0.177 3.781 3.960 -0.004 0.000 0.226 396 G HA3 -0.177 3.781 3.960 -0.004 0.000 0.226 396 G C 0.116 174.814 174.900 -0.338 0.000 0.996 396 G CA 0.117 45.069 45.100 -0.247 0.000 0.626 396 G HN 0.659 nan 8.290 nan 0.000 0.509 397 E N -0.706 119.355 120.200 -0.231 0.000 2.410 397 E HA 0.349 4.697 4.350 -0.004 0.000 0.255 397 E C -0.010 176.447 176.600 -0.239 0.000 1.194 397 E CA -0.248 56.030 56.400 -0.203 0.000 0.955 397 E CB 0.497 30.153 29.700 -0.073 0.000 0.988 397 E HN 0.424 nan 8.360 nan 0.000 0.461 398 W N 0.149 121.432 121.300 -0.027 0.000 2.415 398 W HA 0.513 5.171 4.660 -0.004 0.000 0.355 398 W C -0.489 176.010 176.519 -0.033 0.000 1.161 398 W CA -0.378 56.951 57.345 -0.028 0.000 1.315 398 W CB 1.195 30.640 29.460 -0.025 0.000 1.261 398 W HN 0.112 nan 8.180 nan 0.000 0.636 399 V N 1.628 121.712 119.914 0.284 0.000 2.971 399 V HA 0.074 4.192 4.120 -0.004 0.000 0.281 399 V C -0.925 175.229 176.094 0.100 0.000 1.470 399 V CA -1.079 61.295 62.300 0.123 0.000 0.966 399 V CB 1.972 33.833 31.823 0.062 0.000 1.156 399 V HN 0.424 nan 8.190 nan 0.000 0.441 400 E N 2.924 123.148 120.200 0.041 0.000 2.338 400 E HA 0.479 4.827 4.350 -0.004 0.000 0.272 400 E C -0.813 175.805 176.600 0.030 0.000 1.029 400 E CA -0.051 56.363 56.400 0.024 0.000 0.872 400 E CB 2.131 31.825 29.700 -0.010 0.000 1.015 400 E HN 0.360 nan 8.360 nan 0.000 0.417 401 V N 2.585 122.526 119.914 0.045 0.000 2.735 401 V HA 0.218 4.336 4.120 -0.004 0.000 0.310 401 V C -0.391 175.753 176.094 0.084 0.000 1.061 401 V CA -0.587 61.744 62.300 0.051 0.000 0.913 401 V CB 2.097 33.937 31.823 0.029 0.000 1.005 401 V HN 0.638 nan 8.190 nan 0.000 0.428 402 E N 6.287 126.571 120.200 0.140 0.000 2.267 402 E HA 0.454 4.802 4.350 -0.004 0.000 0.248 402 E C -2.767 173.955 176.600 0.202 0.000 0.899 402 E CA -2.010 54.517 56.400 0.213 0.000 0.764 402 E CB 2.222 32.133 29.700 0.351 0.000 1.227 402 E HN 0.403 nan 8.360 nan 0.000 0.421 403 P HA 0.054 nan 4.420 nan 0.000 0.271 403 P C -0.584 176.866 177.300 0.250 0.000 1.216 403 P CA -0.122 63.011 63.100 0.056 0.000 0.776 403 P CB 0.219 31.959 31.700 0.067 0.000 0.881 404 F N 2.173 122.214 119.950 0.150 0.000 2.545 404 F HA 0.066 4.591 4.527 -0.003 0.000 0.348 404 F C 1.612 177.584 175.800 0.287 0.000 1.163 404 F CA -0.053 58.109 58.000 0.270 0.000 1.331 404 F CB -0.430 38.702 39.000 0.220 0.000 1.138 404 F HN 0.377 nan 8.300 nan 0.000 0.602 405 N N 0.910 119.946 118.700 0.561 0.000 2.593 405 N HA 0.441 5.179 4.740 -0.004 0.000 0.304 405 N C 0.604 176.263 175.510 0.248 0.000 1.296 405 N CA -0.070 53.175 53.050 0.324 0.000 0.950 405 N CB -0.371 38.254 38.487 0.230 0.000 1.127 405 N HN 0.435 nan 8.380 nan 0.000 0.587 406 A N -0.596 122.312 122.820 0.147 0.000 2.070 406 A HA 0.006 4.324 4.320 -0.004 0.000 0.220 406 A C 2.068 179.679 177.584 0.045 0.000 1.159 406 A CA 0.741 52.840 52.037 0.102 0.000 0.656 406 A CB -1.081 17.965 19.000 0.077 0.000 0.800 406 A HN 0.597 nan 8.150 nan 0.000 0.453 407 L N -2.268 118.937 121.223 -0.029 0.000 2.263 407 L HA -0.153 4.185 4.340 -0.004 0.000 0.216 407 L C 1.463 178.117 176.870 -0.361 0.000 1.111 407 L CA 1.333 56.033 54.840 -0.234 0.000 0.773 407 L CB -0.476 41.338 42.059 -0.408 0.000 0.906 407 L HN 0.523 nan 8.230 nan 0.000 0.439 408 F N -1.063 118.922 119.950 0.060 0.000 2.729 408 F HA 0.394 4.918 4.527 -0.004 0.000 0.315 408 F C 1.166 177.018 175.800 0.086 0.000 1.102 408 F CA 0.046 58.046 58.000 -0.000 0.000 1.204 408 F CB 1.067 39.938 39.000 -0.215 0.000 1.052 408 F HN 0.099 nan 8.300 nan 0.000 0.551 409 G N 0.000 108.946 108.800 0.243 0.000 5.446 409 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 409 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 409 G CA 0.000 45.209 45.100 0.183 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925