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 2nqs_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 DALQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.871 176.870 0.001 0.000 1.165 7 L CA 0.000 54.856 54.840 0.026 0.000 0.813 7 L CB 0.000 42.081 42.059 0.036 0.000 0.961 8 M N 2.801 122.393 119.600 -0.013 0.000 2.219 8 M HA 0.007 4.485 4.480 -0.003 0.000 0.340 8 M C 0.404 176.659 176.300 -0.074 0.000 1.135 8 M CA 0.645 55.894 55.300 -0.085 0.000 0.976 8 M CB 0.568 33.064 32.600 -0.174 0.000 1.713 8 M HN 0.477 nan 8.290 nan 0.000 0.457 9 S N 4.902 120.538 115.700 -0.107 0.000 2.541 9 S HA 0.245 4.713 4.470 -0.003 0.000 0.283 9 S C 1.016 175.555 174.600 -0.102 0.000 1.196 9 S CA -1.079 57.074 58.200 -0.079 0.000 1.062 9 S CB 1.425 64.584 63.200 -0.069 0.000 1.009 9 S HN 0.933 nan 8.310 nan 0.000 0.502 10 L N 1.129 122.319 121.223 -0.055 0.000 2.034 10 L HA -0.224 4.114 4.340 -0.003 0.000 0.217 10 L C 2.032 178.843 176.870 -0.098 0.000 1.077 10 L CA 2.521 57.326 54.840 -0.059 0.000 0.769 10 L CB -0.666 41.409 42.059 0.027 0.000 0.890 10 L HN 0.882 nan 8.230 nan 0.000 0.435 11 D N -1.135 119.217 120.400 -0.081 0.000 2.097 11 D HA -0.156 4.482 4.640 -0.003 0.000 0.195 11 D C 2.041 178.261 176.300 -0.133 0.000 0.989 11 D CA 1.787 55.732 54.000 -0.092 0.000 0.827 11 D CB 0.086 40.846 40.800 -0.067 0.000 0.966 11 D HN 0.300 nan 8.370 nan 0.000 0.456 12 T N -0.108 114.354 114.554 -0.153 0.000 2.720 12 T HA -0.172 4.176 4.350 -0.003 0.000 0.268 12 T C 1.943 176.462 174.700 -0.302 0.000 1.037 12 T CA 1.598 63.578 62.100 -0.199 0.000 1.144 12 T CB -0.486 68.257 68.868 -0.208 0.000 0.864 12 T HN 0.214 nan 8.240 nan 0.000 0.444 13 A N 0.881 123.483 122.820 -0.364 0.000 1.902 13 A HA 0.067 4.385 4.320 -0.003 0.000 0.217 13 A C 2.327 179.722 177.584 -0.314 0.000 1.181 13 A CA 1.079 52.806 52.037 -0.518 0.000 0.623 13 A CB -0.852 17.923 19.000 -0.375 0.000 0.818 13 A HN 0.451 nan 8.150 nan 0.000 0.443 14 L N -0.684 120.405 121.223 -0.222 0.000 2.046 14 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 14 L C 2.404 179.170 176.870 -0.173 0.000 1.077 14 L CA 1.740 56.467 54.840 -0.188 0.000 0.747 14 L CB -0.398 41.570 42.059 -0.152 0.000 0.896 14 L HN 0.515 nan 8.230 nan 0.000 0.432 15 N N -0.901 117.705 118.700 -0.157 0.000 2.058 15 N HA -0.249 4.489 4.740 -0.003 0.000 0.191 15 N C 1.762 177.206 175.510 -0.110 0.000 1.037 15 N CA 1.111 54.088 53.050 -0.121 0.000 0.848 15 N CB 0.069 38.493 38.487 -0.105 0.000 1.021 15 N HN 0.138 nan 8.380 nan 0.000 0.422 16 E N 0.596 120.714 120.200 -0.136 0.000 2.070 16 E HA -0.172 4.176 4.350 -0.003 0.000 0.197 16 E C 1.832 178.432 176.600 -0.000 0.000 1.004 16 E CA 1.365 57.734 56.400 -0.050 0.000 0.805 16 E CB -0.067 29.572 29.700 -0.102 0.000 0.744 16 E HN 0.359 nan 8.360 nan 0.000 0.451 17 M N -0.588 118.938 119.600 -0.124 0.000 2.066 17 M HA -0.167 4.311 4.480 -0.003 0.000 0.259 17 M C 2.300 178.466 176.300 -0.223 0.000 1.074 17 M CA 1.492 56.594 55.300 -0.330 0.000 1.114 17 M CB -0.480 31.788 32.600 -0.553 0.000 1.306 17 M HN 0.122 nan 8.290 nan 0.000 0.411 18 L N -0.030 121.074 121.223 -0.198 0.000 2.043 18 L HA -0.238 4.100 4.340 -0.003 0.000 0.212 18 L C 2.801 179.604 176.870 -0.110 0.000 1.075 18 L CA 1.671 56.412 54.840 -0.164 0.000 0.752 18 L CB -1.226 40.752 42.059 -0.134 0.000 0.891 18 L HN 0.483 nan 8.230 nan 0.000 0.432 19 S N 0.352 116.011 115.700 -0.068 0.000 2.387 19 S HA -0.215 4.253 4.470 -0.003 0.000 0.230 19 S C 2.002 176.609 174.600 0.012 0.000 1.035 19 S CA 1.015 59.203 58.200 -0.020 0.000 1.014 19 S CB -0.443 62.757 63.200 -0.001 0.000 0.836 19 S HN 0.435 nan 8.310 nan 0.000 0.466 20 R N 0.802 121.312 120.500 0.017 0.000 2.236 20 R HA 0.209 4.548 4.340 -0.003 0.000 0.208 20 R C 0.166 176.494 176.300 0.047 0.000 1.036 20 R CA 0.321 56.479 56.100 0.096 0.000 1.001 20 R CB -0.515 29.902 30.300 0.195 0.000 0.896 20 R HN 0.354 nan 8.270 nan 0.000 0.464 21 V N 1.826 121.645 119.914 -0.159 0.000 2.607 21 V HA 0.134 4.252 4.120 -0.003 0.000 0.289 21 V C 0.350 176.476 176.094 0.055 0.000 1.053 21 V CA -0.006 62.210 62.300 -0.140 0.000 0.996 21 V CB 1.723 33.328 31.823 -0.364 0.000 0.995 21 V HN 0.054 nan 8.190 nan 0.000 0.476 22 T N 6.120 120.780 114.554 0.177 0.000 2.791 22 T HA 0.408 4.756 4.350 -0.003 0.000 0.288 22 T C -2.534 172.236 174.700 0.116 0.000 0.999 22 T CA -1.051 61.130 62.100 0.134 0.000 0.952 22 T CB 1.495 70.456 68.868 0.155 0.000 0.938 22 T HN 0.482 nan 8.240 nan 0.000 0.444 23 P HA 0.072 nan 4.420 nan 0.000 0.262 23 P C -0.057 177.279 177.300 0.059 0.000 1.182 23 P CA -0.590 62.540 63.100 0.049 0.000 0.761 23 P CB 0.328 32.043 31.700 0.025 0.000 0.795 24 L N 3.075 124.334 121.223 0.059 0.000 2.483 24 L HA 0.048 4.386 4.340 -0.003 0.000 0.277 24 L C 1.661 178.553 176.870 0.037 0.000 1.248 24 L CA 1.482 56.355 54.840 0.054 0.000 0.825 24 L CB -0.449 41.639 42.059 0.049 0.000 1.096 24 L HN 0.644 nan 8.230 nan 0.000 0.512 25 T N -2.450 112.124 114.554 0.032 0.000 3.028 25 T HA 0.388 4.736 4.350 -0.003 0.000 0.262 25 T C 0.493 175.205 174.700 0.020 0.000 0.916 25 T CA 0.253 62.367 62.100 0.024 0.000 0.873 25 T CB -0.128 68.755 68.868 0.025 0.000 1.232 25 T HN 0.612 nan 8.240 nan 0.000 0.529 26 A N 2.353 125.186 122.820 0.021 0.000 2.540 26 A HA 0.527 4.845 4.320 -0.003 0.000 0.239 26 A C 0.253 177.846 177.584 0.015 0.000 1.061 26 A CA -0.137 51.911 52.037 0.018 0.000 0.758 26 A CB -0.041 18.971 19.000 0.019 0.000 0.991 26 A HN 0.749 nan 8.150 nan 0.000 0.502 27 Q N 1.014 120.822 119.800 0.013 0.000 2.528 27 Q HA 0.769 5.107 4.340 -0.003 0.000 0.289 27 Q C -1.007 174.999 176.000 0.010 0.000 1.091 27 Q CA -1.002 54.807 55.803 0.010 0.000 0.797 27 Q CB 1.737 30.480 28.738 0.009 0.000 1.466 27 Q HN 0.821 nan 8.270 nan 0.000 0.436 28 E N -0.224 119.982 120.200 0.009 0.000 2.392 28 E HA 0.504 4.852 4.350 -0.003 0.000 0.279 28 E C -1.353 175.251 176.600 0.008 0.000 0.964 28 E CA -0.940 55.465 56.400 0.009 0.000 0.777 28 E CB 2.128 31.834 29.700 0.010 0.000 1.249 28 E HN 0.443 nan 8.360 nan 0.000 0.449 29 T N 2.385 116.944 114.554 0.008 0.000 2.771 29 T HA 0.528 4.876 4.350 -0.003 0.000 0.281 29 T C -0.423 174.282 174.700 0.009 0.000 0.982 29 T CA -0.452 61.653 62.100 0.008 0.000 0.978 29 T CB 0.242 69.116 68.868 0.009 0.000 0.930 29 T HN 0.304 nan 8.240 nan 0.000 0.447 30 L N 4.394 125.622 121.223 0.008 0.000 2.371 30 L HA 0.561 4.899 4.340 -0.003 0.000 0.262 30 L C -2.543 174.333 176.870 0.011 0.000 1.006 30 L CA -2.963 51.883 54.840 0.010 0.000 0.818 30 L CB 1.898 43.963 42.059 0.011 0.000 1.354 30 L HN 0.319 nan 8.230 nan 0.000 0.415 31 P HA 0.090 nan 4.420 nan 0.000 0.268 31 P C 0.833 178.142 177.300 0.016 0.000 1.208 31 P CA -0.143 62.966 63.100 0.015 0.000 0.777 31 P CB 0.603 32.312 31.700 0.015 0.000 0.875 32 L N 2.200 123.432 121.223 0.016 0.000 2.043 32 L HA -0.182 4.156 4.340 -0.003 0.000 0.212 32 L C 2.377 179.263 176.870 0.028 0.000 1.075 32 L CA 1.441 56.290 54.840 0.015 0.000 0.752 32 L CB -0.910 41.159 42.059 0.016 0.000 0.891 32 L HN 0.247 nan 8.230 nan 0.000 0.432 33 V N -0.177 119.755 119.914 0.031 0.000 2.828 33 V HA -0.275 3.843 4.120 -0.003 0.000 0.260 33 V C 1.903 178.027 176.094 0.050 0.000 1.101 33 V CA 1.770 64.094 62.300 0.040 0.000 1.123 33 V CB -0.289 31.551 31.823 0.028 0.000 0.704 33 V HN 0.568 nan 8.190 nan 0.000 0.493 34 Q N -2.182 117.643 119.800 0.042 0.000 2.220 34 Q HA 0.127 4.466 4.340 -0.003 0.000 0.205 34 Q C 1.504 177.536 176.000 0.053 0.000 0.865 34 Q CA 0.221 56.052 55.803 0.046 0.000 0.960 34 Q CB 0.345 29.102 28.738 0.031 0.000 1.097 34 Q HN 0.658 nan 8.270 nan 0.000 0.493 35 C N 0.417 119.747 119.300 0.051 0.000 2.791 35 C HA 0.197 4.655 4.460 -0.003 0.000 0.270 35 C C 0.685 175.680 174.990 0.008 0.000 1.257 35 C CA -0.780 58.248 59.018 0.018 0.000 1.699 35 C CB -1.335 26.392 27.740 -0.021 0.000 1.904 35 C HN 0.426 nan 8.230 nan 0.000 0.603 36 F N 1.523 121.455 119.950 -0.031 0.000 2.602 36 F HA 0.394 4.919 4.527 -0.003 0.000 0.385 36 F C 1.433 177.214 175.800 -0.032 0.000 1.063 36 F CA 1.915 59.894 58.000 -0.034 0.000 1.233 36 F CB 0.384 39.369 39.000 -0.025 0.000 1.067 36 F HN 0.460 nan 8.300 nan 0.000 0.564 37 G N 4.125 112.578 108.800 -0.578 0.000 2.184 37 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.264 37 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.264 37 G C 0.440 175.259 174.900 -0.136 0.000 0.975 37 G CA -0.101 44.840 45.100 -0.265 0.000 0.642 37 G HN 0.623 nan 8.290 nan 0.000 0.536 38 R N -0.073 120.349 120.500 -0.130 0.000 2.500 38 R HA 0.551 4.889 4.340 -0.003 0.000 0.277 38 R C 0.511 176.753 176.300 -0.096 0.000 1.026 38 R CA -0.777 55.276 56.100 -0.078 0.000 1.058 38 R CB 0.832 31.105 30.300 -0.045 0.000 1.078 38 R HN 0.182 nan 8.270 nan 0.000 0.509 39 I N 3.015 123.547 120.570 -0.064 0.000 2.365 39 I HA 0.221 4.389 4.170 -0.003 0.000 0.291 39 I C 0.860 176.950 176.117 -0.044 0.000 1.004 39 I CA -0.765 60.500 61.300 -0.059 0.000 1.311 39 I CB 0.406 38.382 38.000 -0.040 0.000 1.401 39 I HN 0.338 nan 8.210 nan 0.000 0.491 40 L N 4.825 126.020 121.223 -0.045 0.000 2.410 40 L HA 0.130 4.468 4.340 -0.003 0.000 0.273 40 L C 1.457 178.322 176.870 -0.007 0.000 1.144 40 L CA -0.075 54.750 54.840 -0.024 0.000 0.863 40 L CB 1.331 43.383 42.059 -0.013 0.000 1.140 40 L HN 0.833 nan 8.230 nan 0.000 0.463 41 A N 2.807 125.626 122.820 -0.001 0.000 1.930 41 A HA 0.022 4.340 4.320 -0.003 0.000 0.215 41 A C 0.866 178.456 177.584 0.010 0.000 1.176 41 A CA 1.116 53.156 52.037 0.005 0.000 0.632 41 A CB -0.039 18.964 19.000 0.006 0.000 0.819 41 A HN 0.708 nan 8.150 nan 0.000 0.445 42 S N -0.604 115.104 115.700 0.014 0.000 2.627 42 S HA 0.512 4.980 4.470 -0.003 0.000 0.283 42 S C -1.559 173.058 174.600 0.029 0.000 1.127 42 S CA -1.036 57.175 58.200 0.019 0.000 0.863 42 S CB 1.097 64.307 63.200 0.017 0.000 1.121 42 S HN 0.124 nan 8.310 nan 0.000 0.479 43 D N 1.131 121.549 120.400 0.030 0.000 2.472 43 D HA 0.238 4.876 4.640 -0.003 0.000 0.237 43 D C -0.305 176.023 176.300 0.047 0.000 1.141 43 D CA 0.137 54.161 54.000 0.041 0.000 0.875 43 D CB 0.484 41.299 40.800 0.026 0.000 1.192 43 D HN 0.366 nan 8.370 nan 0.000 0.450 44 V N 3.256 123.215 119.914 0.075 0.000 2.353 44 V HA 0.145 4.263 4.120 -0.003 0.000 0.264 44 V C 0.447 176.565 176.094 0.040 0.000 1.049 44 V CA -0.645 61.702 62.300 0.078 0.000 0.896 44 V CB 1.255 33.171 31.823 0.154 0.000 1.025 44 V HN 0.206 nan 8.190 nan 0.000 0.475 45 V N 4.198 124.126 119.914 0.022 0.000 2.481 45 V HA 0.299 4.417 4.120 -0.003 0.000 0.286 45 V C 0.681 176.774 176.094 -0.001 0.000 1.042 45 V CA -0.082 62.219 62.300 0.002 0.000 0.928 45 V CB 1.998 33.822 31.823 0.001 0.000 0.986 45 V HN 0.877 nan 8.190 nan 0.000 0.462 46 S N 6.363 122.052 115.700 -0.018 0.000 2.531 46 S HA 0.249 4.717 4.470 -0.003 0.000 0.279 46 S C -1.232 173.361 174.600 -0.012 0.000 1.305 46 S CA -0.945 57.244 58.200 -0.019 0.000 1.058 46 S CB 0.892 64.068 63.200 -0.039 0.000 0.899 46 S HN 0.717 nan 8.310 nan 0.000 0.493 47 P HA 0.210 nan 4.420 nan 0.000 0.255 47 P C -0.576 176.721 177.300 -0.006 0.000 1.248 47 P CA 0.163 63.262 63.100 -0.002 0.000 0.807 47 P CB -0.274 31.428 31.700 0.004 0.000 1.150 48 L N -4.479 116.735 121.223 -0.015 0.000 2.963 48 L HA 0.579 4.917 4.340 -0.003 0.000 0.273 48 L C -1.016 175.832 176.870 -0.036 0.000 1.078 48 L CA -1.038 53.789 54.840 -0.021 0.000 0.970 48 L CB 0.323 42.371 42.059 -0.020 0.000 1.564 48 L HN -0.395 nan 8.230 nan 0.000 0.381 49 D N 0.395 120.767 120.400 -0.047 0.000 2.193 49 D HA 0.655 5.293 4.640 -0.003 0.000 0.249 49 D C -1.164 175.074 176.300 -0.103 0.000 1.034 49 D CA -0.155 53.806 54.000 -0.066 0.000 0.902 49 D CB 2.790 43.554 40.800 -0.058 0.000 1.182 49 D HN 0.329 nan 8.370 nan 0.000 0.436 50 V N 3.695 123.546 119.914 -0.104 0.000 2.532 50 V HA 0.228 4.346 4.120 -0.003 0.000 0.294 50 V C -2.350 173.676 176.094 -0.112 0.000 1.036 50 V CA -1.397 60.828 62.300 -0.124 0.000 0.876 50 V CB 2.140 33.908 31.823 -0.092 0.000 1.012 50 V HN 0.398 nan 8.190 nan 0.000 0.432 51 P HA 0.194 nan 4.420 nan 0.000 0.274 51 P C 0.908 178.009 177.300 -0.332 0.000 1.237 51 P CA -0.016 62.929 63.100 -0.258 0.000 0.793 51 P CB 1.282 32.833 31.700 -0.248 0.000 0.977 52 G N 0.458 108.909 108.800 -0.581 0.000 2.848 52 G HA2 0.259 4.217 3.960 -0.003 0.000 0.208 52 G HA3 0.259 4.217 3.960 -0.003 0.000 0.208 52 G C -0.209 174.485 174.900 -0.343 0.000 1.152 52 G CA 0.084 44.901 45.100 -0.470 0.000 0.789 52 G HN 0.577 nan 8.290 nan 0.000 0.531 53 F N -2.604 117.351 119.950 0.009 0.000 2.829 53 F HA 0.368 4.893 4.527 -0.003 0.000 0.319 53 F C -1.635 174.169 175.800 0.007 0.000 1.153 53 F CA -2.726 55.280 58.000 0.010 0.000 0.912 53 F CB 0.030 39.038 39.000 0.014 0.000 1.292 53 F HN -0.184 nan 8.300 nan 0.000 0.447 54 D N 2.354 122.928 120.400 0.290 0.000 2.425 54 D HA 0.328 4.966 4.640 -0.003 0.000 0.247 54 D C -0.367 176.072 176.300 0.232 0.000 1.147 54 D CA 0.434 54.542 54.000 0.181 0.000 0.879 54 D CB 0.378 41.246 40.800 0.113 0.000 1.179 54 D HN 0.747 nan 8.370 nan 0.000 0.456 55 N N -0.069 118.727 118.700 0.160 0.000 2.416 55 N HA 0.236 4.974 4.740 -0.003 0.000 0.276 55 N C -1.130 174.418 175.510 0.063 0.000 1.261 55 N CA -0.836 52.299 53.050 0.142 0.000 0.790 55 N CB 1.616 40.227 38.487 0.207 0.000 1.554 55 N HN 0.229 nan 8.380 nan 0.000 0.481 56 S N -0.556 115.164 115.700 0.033 0.000 2.531 56 S HA 0.391 4.859 4.470 -0.003 0.000 0.279 56 S C 0.870 175.476 174.600 0.011 0.000 1.305 56 S CA -0.079 58.124 58.200 0.004 0.000 1.058 56 S CB -0.015 63.165 63.200 -0.035 0.000 0.899 56 S HN 0.719 nan 8.310 nan 0.000 0.493 57 A N 4.931 127.756 122.820 0.009 0.000 2.337 57 A HA 0.514 4.832 4.320 -0.003 0.000 0.227 57 A C 0.390 177.977 177.584 0.006 0.000 1.259 57 A CA -0.028 52.015 52.037 0.010 0.000 0.870 57 A CB -0.316 18.690 19.000 0.011 0.000 0.927 57 A HN 0.806 nan 8.150 nan 0.000 0.497 58 M N -2.241 117.358 119.600 -0.003 0.000 3.008 58 M HA 0.288 4.766 4.480 -0.003 0.000 0.271 58 M C -0.929 175.352 176.300 -0.032 0.000 1.265 58 M CA -0.428 54.867 55.300 -0.008 0.000 0.817 58 M CB 1.444 34.045 32.600 0.001 0.000 1.638 58 M HN 0.034 nan 8.290 nan 0.000 0.479 59 D N 0.005 120.380 120.400 -0.042 0.000 2.350 59 D HA 0.153 4.791 4.640 -0.003 0.000 0.213 59 D C 1.008 177.197 176.300 -0.186 0.000 1.031 59 D CA 0.435 54.384 54.000 -0.085 0.000 0.861 59 D CB 0.117 40.886 40.800 -0.051 0.000 0.926 59 D HN 0.742 nan 8.370 nan 0.000 0.520 60 G N 0.250 108.968 108.800 -0.137 0.000 2.355 60 G HA2 -0.033 3.925 3.960 -0.003 0.000 0.175 60 G HA3 -0.033 3.925 3.960 -0.003 0.000 0.175 60 G C -0.414 174.217 174.900 -0.449 0.000 1.624 60 G CA 0.250 45.241 45.100 -0.182 0.000 1.021 60 G HN 0.111 nan 8.290 nan 0.000 0.465 61 Y N -1.081 119.250 120.300 0.053 0.000 2.499 61 Y HA 0.604 5.152 4.550 -0.003 0.000 0.347 61 Y C 0.458 176.347 175.900 -0.018 0.000 0.987 61 Y CA -0.665 57.452 58.100 0.028 0.000 1.044 61 Y CB 2.097 40.669 38.460 0.188 0.000 1.245 61 Y HN 0.579 nan 8.280 nan 0.000 0.461 62 A N 2.343 125.186 122.820 0.038 0.000 2.301 62 A HA 0.758 5.076 4.320 -0.003 0.000 0.298 62 A C -0.466 177.266 177.584 0.246 0.000 1.185 62 A CA -0.400 51.639 52.037 0.004 0.000 0.830 62 A CB 0.062 18.913 19.000 -0.248 0.000 1.112 62 A HN 0.840 nan 8.150 nan 0.000 0.508 63 V N 0.340 120.442 119.914 0.314 0.000 3.158 63 V HA 0.890 5.008 4.120 -0.003 0.000 0.311 63 V C -0.605 175.553 176.094 0.108 0.000 1.181 63 V CA -1.303 61.173 62.300 0.294 0.000 1.054 63 V CB 1.841 33.585 31.823 -0.132 0.000 1.085 63 V HN 0.818 nan 8.190 nan 0.000 0.446 64 R N 1.235 121.621 120.500 -0.190 0.000 2.387 64 R HA 0.604 4.942 4.340 -0.003 0.000 0.314 64 R C 0.704 176.890 176.300 -0.190 0.000 0.958 64 R CA -0.800 55.133 56.100 -0.279 0.000 0.846 64 R CB 1.412 31.412 30.300 -0.500 0.000 1.147 64 R HN 0.751 nan 8.270 nan 0.000 0.447 65 L N 2.420 123.562 121.223 -0.134 0.000 2.351 65 L HA -0.181 4.157 4.340 -0.003 0.000 0.220 65 L C 1.517 178.322 176.870 -0.108 0.000 1.127 65 L CA 1.859 56.634 54.840 -0.108 0.000 0.786 65 L CB -1.277 40.737 42.059 -0.076 0.000 0.914 65 L HN 0.839 nan 8.230 nan 0.000 0.443 66 A N 0.021 122.763 122.820 -0.132 0.000 1.826 66 A HA -0.161 4.157 4.320 -0.003 0.000 0.214 66 A C 1.805 179.324 177.584 -0.109 0.000 1.212 66 A CA 1.368 53.336 52.037 -0.116 0.000 0.605 66 A CB -0.553 18.365 19.000 -0.136 0.000 0.861 66 A HN 0.454 nan 8.150 nan 0.000 0.447 67 D N -0.307 120.009 120.400 -0.139 0.000 2.315 67 D HA -0.145 4.493 4.640 -0.003 0.000 0.211 67 D C 1.455 177.716 176.300 -0.065 0.000 0.977 67 D CA 1.095 55.035 54.000 -0.100 0.000 0.894 67 D CB -0.235 40.494 40.800 -0.119 0.000 0.910 67 D HN 0.363 nan 8.370 nan 0.000 0.490 68 I N 0.608 121.117 120.570 -0.101 0.000 3.251 68 I HA -0.037 4.131 4.170 -0.003 0.000 0.277 68 I C 2.115 178.210 176.117 -0.037 0.000 1.268 68 I CA 0.208 61.452 61.300 -0.093 0.000 1.449 68 I CB 0.087 37.979 38.000 -0.180 0.000 1.083 68 I HN -0.113 nan 8.210 nan 0.000 0.464 69 A N -1.025 121.771 122.820 -0.040 0.000 2.030 69 A HA -0.066 4.252 4.320 -0.003 0.000 0.215 69 A C 2.323 179.901 177.584 -0.010 0.000 1.164 69 A CA 0.977 53.000 52.037 -0.024 0.000 0.697 69 A CB -0.693 18.287 19.000 -0.034 0.000 0.827 69 A HN 0.401 nan 8.150 nan 0.000 0.457 70 S N 0.118 115.812 115.700 -0.011 0.000 2.537 70 S HA 0.147 4.615 4.470 -0.003 0.000 0.240 70 S C 1.570 176.178 174.600 0.014 0.000 0.981 70 S CA 1.250 59.449 58.200 -0.002 0.000 0.948 70 S CB -1.066 62.130 63.200 -0.005 0.000 0.759 70 S HN 1.762 nan 8.310 nan 0.000 0.531 71 G N 0.646 109.463 108.800 0.029 0.000 2.420 71 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.305 71 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.305 71 G C -0.007 174.916 174.900 0.039 0.000 0.971 71 G CA 1.103 46.230 45.100 0.044 0.000 0.843 71 G HN 0.653 nan 8.290 nan 0.000 0.512 72 Q N -0.505 119.320 119.800 0.041 0.000 2.699 72 Q HA 0.487 4.825 4.340 -0.003 0.000 0.240 72 Q C -2.228 173.791 176.000 0.031 0.000 1.033 72 Q CA -1.697 54.121 55.803 0.025 0.000 0.938 72 Q CB 1.800 30.547 28.738 0.015 0.000 1.312 72 Q HN 0.220 nan 8.270 nan 0.000 0.507 73 P HA 0.209 nan 4.420 nan 0.000 0.280 73 P C -1.134 176.179 177.300 0.022 0.000 1.244 73 P CA 0.158 63.249 63.100 -0.014 0.000 0.784 73 P CB 0.531 32.212 31.700 -0.032 0.000 0.913 74 L N 5.276 126.519 121.223 0.033 0.000 2.316 74 L HA 0.394 4.732 4.340 -0.003 0.000 0.280 74 L C -2.240 174.649 176.870 0.031 0.000 1.006 74 L CA -2.305 52.593 54.840 0.097 0.000 0.836 74 L CB 2.170 44.402 42.059 0.289 0.000 1.221 74 L HN 0.174 nan 8.230 nan 0.000 0.418 75 P HA 0.078 nan 4.420 nan 0.000 0.284 75 P C -0.192 177.142 177.300 0.056 0.000 1.253 75 P CA -0.379 62.736 63.100 0.024 0.000 0.800 75 P CB 1.540 33.260 31.700 0.033 0.000 0.961 76 V N 0.520 120.455 119.914 0.036 0.000 2.382 76 V HA 0.201 4.319 4.120 -0.003 0.000 0.250 76 V C 1.701 177.824 176.094 0.049 0.000 1.069 76 V CA 0.372 62.710 62.300 0.063 0.000 1.130 76 V CB -1.106 30.776 31.823 0.100 0.000 1.165 76 V HN 0.643 nan 8.190 nan 0.000 0.483 77 A N 4.026 126.878 122.820 0.053 0.000 1.908 77 A HA 0.392 4.710 4.320 -0.003 0.000 0.218 77 A C 1.443 179.046 177.584 0.031 0.000 1.181 77 A CA 1.659 53.736 52.037 0.067 0.000 0.627 77 A CB -0.505 18.574 19.000 0.132 0.000 0.818 77 A HN 1.565 nan 8.150 nan 0.000 0.445 78 G N -1.990 106.724 108.800 -0.144 0.000 2.554 78 G HA2 0.526 4.484 3.960 -0.003 0.000 0.306 78 G HA3 0.526 4.484 3.960 -0.003 0.000 0.306 78 G C -1.785 172.919 174.900 -0.327 0.000 1.320 78 G CA -0.189 44.846 45.100 -0.107 0.000 0.800 78 G HN 0.572 nan 8.290 nan 0.000 0.481 79 K N -1.364 118.921 120.400 -0.193 0.000 2.435 79 K HA 0.816 5.134 4.320 -0.003 0.000 0.251 79 K C -0.903 175.523 176.600 -0.290 0.000 0.954 79 K CA -0.872 55.191 56.287 -0.373 0.000 0.820 79 K CB 2.053 34.304 32.500 -0.414 0.000 1.292 79 K HN 0.689 nan 8.250 nan 0.000 0.436 80 S N 2.245 117.651 115.700 -0.490 0.000 2.605 80 S HA 0.661 5.130 4.470 -0.003 0.000 0.308 80 S C -1.383 172.954 174.600 -0.438 0.000 1.113 80 S CA -0.729 57.283 58.200 -0.313 0.000 1.049 80 S CB -0.006 63.045 63.200 -0.250 0.000 1.001 80 S HN 0.475 nan 8.310 nan 0.000 0.480 81 F N 2.431 122.346 119.950 -0.058 0.000 2.497 81 F HA 0.586 5.111 4.527 -0.003 0.000 0.331 81 F C 1.643 177.423 175.800 -0.032 0.000 1.060 81 F CA -0.618 57.355 58.000 -0.046 0.000 0.989 81 F CB 1.301 40.282 39.000 -0.033 0.000 1.245 81 F HN 0.744 nan 8.300 nan 0.000 0.486 82 A N 1.632 124.601 122.820 0.249 0.000 1.940 82 A HA -0.168 4.150 4.320 -0.003 0.000 0.221 82 A C 2.033 179.695 177.584 0.130 0.000 1.190 82 A CA 2.367 54.496 52.037 0.153 0.000 0.647 82 A CB -1.548 17.528 19.000 0.126 0.000 0.821 82 A HN 0.953 nan 8.150 nan 0.000 0.457 83 G N -1.268 107.606 108.800 0.123 0.000 2.622 83 G HA2 0.108 4.066 3.960 -0.003 0.000 0.206 83 G HA3 0.108 4.066 3.960 -0.003 0.000 0.206 83 G C 0.678 175.615 174.900 0.062 0.000 1.458 83 G CA 0.456 45.606 45.100 0.084 0.000 0.919 83 G HN 0.573 nan 8.290 nan 0.000 0.508 84 Q N 1.295 121.131 119.800 0.060 0.000 2.314 84 Q HA 0.238 4.576 4.340 -0.003 0.000 0.258 84 Q C -1.676 174.282 176.000 -0.069 0.000 0.954 84 Q CA -1.708 54.097 55.803 0.003 0.000 0.890 84 Q CB 1.872 30.626 28.738 0.026 0.000 1.210 84 Q HN 0.219 nan 8.270 nan 0.000 0.410 85 P HA -0.052 nan 4.420 nan 0.000 0.342 85 P C -1.074 176.047 177.300 -0.299 0.000 1.397 85 P CA 0.213 63.163 63.100 -0.250 0.000 0.838 85 P CB 0.313 31.837 31.700 -0.293 0.000 2.030 86 Y N -0.326 119.710 120.300 -0.441 0.000 2.490 86 Y HA 0.216 4.764 4.550 -0.003 0.000 0.346 86 Y C 1.120 176.854 175.900 -0.275 0.000 1.023 86 Y CA -0.401 57.469 58.100 -0.384 0.000 1.142 86 Y CB -0.622 37.655 38.460 -0.306 0.000 1.126 86 Y HN 0.275 nan 8.280 nan 0.000 0.647 87 H N 0.340 119.292 119.070 -0.197 0.000 2.682 87 H HA 0.291 4.845 4.556 -0.003 0.000 0.293 87 H C 1.088 176.287 175.328 -0.215 0.000 1.080 87 H CA 0.338 56.299 56.048 -0.145 0.000 1.189 87 H CB 0.146 29.841 29.762 -0.110 0.000 1.311 87 H HN 0.706 nan 8.280 nan 0.000 0.599 88 G N 0.554 109.156 108.800 -0.331 0.000 2.908 88 G HA2 0.175 4.133 3.960 -0.003 0.000 0.188 88 G HA3 0.175 4.133 3.960 -0.003 0.000 0.188 88 G C -0.272 174.604 174.900 -0.039 0.000 1.903 88 G CA 0.035 44.947 45.100 -0.314 0.000 0.883 88 G HN 0.272 nan 8.290 nan 0.000 0.515 89 E N -2.147 118.126 120.200 0.122 0.000 2.375 89 E HA 0.253 4.601 4.350 -0.003 0.000 0.280 89 E C -2.242 174.633 176.600 0.459 0.000 0.972 89 E CA -0.845 55.718 56.400 0.270 0.000 0.782 89 E CB 1.677 31.475 29.700 0.163 0.000 1.229 89 E HN 0.225 nan 8.360 nan 0.000 0.439 90 W N 5.734 127.134 121.300 0.165 0.000 2.347 90 W HA 0.467 5.125 4.660 -0.003 0.000 0.321 90 W C -2.293 174.257 176.519 0.051 0.000 0.971 90 W CA -2.680 54.719 57.345 0.089 0.000 1.508 90 W CB 0.444 29.925 29.460 0.035 0.000 1.299 90 W HN 0.238 nan 8.180 nan 0.000 0.399 91 P HA 0.101 nan 4.420 nan 0.000 0.262 91 P C 0.065 177.389 177.300 0.040 0.000 1.199 91 P CA 0.336 63.531 63.100 0.158 0.000 0.763 91 P CB 0.402 32.195 31.700 0.154 0.000 0.790 92 A N 3.733 126.522 122.820 -0.052 0.000 2.586 92 A HA 0.354 4.672 4.320 -0.003 0.000 0.231 92 A C 1.648 179.175 177.584 -0.094 0.000 1.055 92 A CA 0.773 52.724 52.037 -0.143 0.000 0.756 92 A CB -1.094 17.843 19.000 -0.105 0.000 0.988 92 A HN 0.947 nan 8.150 nan 0.000 0.509 93 G N 0.376 109.095 108.800 -0.134 0.000 2.162 93 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.260 93 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.260 93 G C 0.542 175.444 174.900 0.004 0.000 0.976 93 G CA 1.395 46.459 45.100 -0.060 0.000 0.655 93 G HN 2.450 nan 8.290 nan 0.000 0.533 94 T N -2.541 112.033 114.554 0.034 0.000 2.910 94 T HA 0.735 5.083 4.350 -0.003 0.000 0.287 94 T C 0.408 175.366 174.700 0.429 0.000 1.050 94 T CA -0.080 62.142 62.100 0.202 0.000 1.011 94 T CB 2.427 71.448 68.868 0.255 0.000 1.195 94 T HN 1.651 nan 8.240 nan 0.000 0.540 95 C N 0.778 120.346 119.300 0.447 0.000 2.707 95 C HA 0.863 5.321 4.460 -0.003 0.000 0.313 95 C C -0.560 174.543 174.990 0.189 0.000 1.209 95 C CA -1.113 58.202 59.018 0.495 0.000 1.635 95 C CB 0.275 28.238 27.740 0.373 0.000 2.206 95 C HN 0.889 nan 8.230 nan 0.000 0.485 96 I N 2.394 122.881 120.570 -0.138 0.000 2.377 96 I HA 0.425 4.593 4.170 -0.003 0.000 0.293 96 I C 0.378 176.367 176.117 -0.212 0.000 0.987 96 I CA -0.148 60.856 61.300 -0.492 0.000 1.185 96 I CB 1.482 38.782 38.000 -1.167 0.000 1.341 96 I HN 0.904 nan 8.210 nan 0.000 0.455 97 R N 6.070 126.452 120.500 -0.197 0.000 2.401 97 R HA 0.479 4.817 4.340 -0.003 0.000 0.299 97 R C -1.061 174.961 176.300 -0.464 0.000 1.064 97 R CA 0.133 56.040 56.100 -0.321 0.000 1.000 97 R CB 0.591 30.731 30.300 -0.267 0.000 0.973 97 R HN 0.678 nan 8.270 nan 0.000 0.438 98 I N 4.590 124.892 120.570 -0.448 0.000 2.582 98 I HA 0.337 4.505 4.170 -0.003 0.000 0.292 98 I C -1.422 174.520 176.117 -0.292 0.000 1.066 98 I CA -1.201 59.875 61.300 -0.374 0.000 1.053 98 I CB 1.905 39.742 38.000 -0.271 0.000 1.241 98 I HN 0.672 nan 8.210 nan 0.000 0.421 99 M N 5.447 124.910 119.600 -0.228 0.000 2.336 99 M HA 0.412 4.890 4.480 -0.003 0.000 0.342 99 M C -0.033 176.262 176.300 -0.007 0.000 1.128 99 M CA -0.162 55.102 55.300 -0.062 0.000 1.016 99 M CB 1.561 34.241 32.600 0.133 0.000 1.665 99 M HN 0.603 nan 8.290 nan 0.000 0.445 100 T N 3.211 117.767 114.554 0.004 0.000 2.860 100 T HA 0.207 4.555 4.350 -0.003 0.000 0.295 100 T C 1.183 175.911 174.700 0.046 0.000 1.041 100 T CA 1.695 63.806 62.100 0.019 0.000 1.132 100 T CB -0.323 68.557 68.868 0.021 0.000 1.072 100 T HN 1.110 nan 8.240 nan 0.000 0.504 101 G N 0.894 109.725 108.800 0.052 0.000 2.196 101 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.268 101 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.268 101 G C 0.236 175.214 174.900 0.129 0.000 0.975 101 G CA 0.284 45.435 45.100 0.085 0.000 0.648 101 G HN 1.327 nan 8.290 nan 0.000 0.538 102 A N 0.412 123.281 122.820 0.081 0.000 2.304 102 A HA 0.752 5.070 4.320 -0.003 0.000 0.301 102 A C -2.129 175.476 177.584 0.034 0.000 1.132 102 A CA -1.394 50.674 52.037 0.053 0.000 0.819 102 A CB 0.845 19.834 19.000 -0.020 0.000 1.094 102 A HN 0.104 nan 8.150 nan 0.000 0.492 103 P HA 0.208 nan 4.420 nan 0.000 0.269 103 P C 0.120 177.364 177.300 -0.093 0.000 1.252 103 P CA -0.083 62.957 63.100 -0.100 0.000 0.780 103 P CB 0.131 31.614 31.700 -0.362 0.000 0.829 104 V N 3.361 123.253 119.914 -0.036 0.000 2.814 104 V HA 0.113 4.231 4.120 -0.003 0.000 0.307 104 V C -2.066 173.988 176.094 -0.066 0.000 1.089 104 V CA -1.306 60.959 62.300 -0.058 0.000 1.212 104 V CB -0.990 30.836 31.823 0.004 0.000 0.912 104 V HN 0.380 nan 8.190 nan 0.000 0.497 105 P HA 0.220 nan 4.420 nan 0.000 0.274 105 P C -0.204 177.149 177.300 0.090 0.000 1.237 105 P CA -0.355 62.705 63.100 -0.067 0.000 0.793 105 P CB 0.372 31.886 31.700 -0.311 0.000 0.977 106 E N 0.839 121.118 120.200 0.131 0.000 2.465 106 E HA 0.145 4.493 4.350 -0.003 0.000 0.260 106 E C 1.466 178.201 176.600 0.225 0.000 0.980 106 E CA 1.589 58.078 56.400 0.149 0.000 0.927 106 E CB -0.258 29.518 29.700 0.127 0.000 0.934 106 E HN 0.780 nan 8.360 nan 0.000 0.459 107 G N 3.049 111.946 108.800 0.161 0.000 2.176 107 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.253 107 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.253 107 G C 0.620 175.625 174.900 0.175 0.000 0.979 107 G CA 0.095 45.275 45.100 0.134 0.000 0.641 107 G HN 0.706 nan 8.290 nan 0.000 0.530 108 C N 1.110 120.579 119.300 0.282 0.000 2.633 108 C HA 0.539 4.997 4.460 -0.003 0.000 0.415 108 C C 1.724 176.795 174.990 0.135 0.000 1.393 108 C CA 0.914 60.116 59.018 0.306 0.000 1.700 108 C CB -0.105 27.768 27.740 0.221 0.000 2.541 108 C HN 0.568 nan 8.230 nan 0.000 0.603 109 E N 2.808 123.063 120.200 0.092 0.000 2.431 109 E HA 0.365 4.713 4.350 -0.003 0.000 0.200 109 E C 0.494 177.111 176.600 0.027 0.000 0.995 109 E CA 0.545 56.965 56.400 0.033 0.000 0.915 109 E CB 0.570 30.264 29.700 -0.010 0.000 0.930 109 E HN 0.854 nan 8.360 nan 0.000 0.496 110 A N -0.089 122.757 122.820 0.043 0.000 2.566 110 A HA 0.604 4.922 4.320 -0.003 0.000 0.290 110 A C -1.682 175.919 177.584 0.029 0.000 1.071 110 A CA -0.578 51.471 52.037 0.021 0.000 0.658 110 A CB 1.529 20.522 19.000 -0.011 0.000 1.285 110 A HN -0.049 nan 8.150 nan 0.000 0.427 111 V N 0.559 120.483 119.914 0.016 0.000 2.686 111 V HA 0.582 4.700 4.120 -0.003 0.000 0.306 111 V C -0.916 175.198 176.094 0.034 0.000 1.065 111 V CA -0.459 61.854 62.300 0.022 0.000 0.894 111 V CB 1.906 33.734 31.823 0.009 0.000 1.004 111 V HN 0.939 nan 8.190 nan 0.000 0.424 112 V N 5.441 125.401 119.914 0.075 0.000 2.495 112 V HA 0.467 4.585 4.120 -0.003 0.000 0.298 112 V C 0.308 176.499 176.094 0.162 0.000 1.031 112 V CA -0.779 61.595 62.300 0.123 0.000 0.871 112 V CB 1.780 33.708 31.823 0.176 0.000 0.988 112 V HN 0.960 nan 8.190 nan 0.000 0.432 113 M N 3.901 123.570 119.600 0.115 0.000 2.303 113 M HA 0.162 4.640 4.480 -0.003 0.000 0.350 113 M C 1.333 177.719 176.300 0.143 0.000 1.518 113 M CA 0.182 55.537 55.300 0.091 0.000 1.070 113 M CB 0.567 33.205 32.600 0.063 0.000 1.910 113 M HN 0.935 nan 8.290 nan 0.000 0.458 114 Q N 4.241 124.119 119.800 0.130 0.000 2.217 114 Q HA -0.234 4.104 4.340 -0.003 0.000 0.209 114 Q C 0.612 176.697 176.000 0.141 0.000 0.988 114 Q CA 2.673 58.599 55.803 0.205 0.000 0.878 114 Q CB -0.615 28.188 28.738 0.108 0.000 0.909 114 Q HN 0.931 nan 8.270 nan 0.000 0.424 115 E N 0.370 120.623 120.200 0.088 0.000 2.510 115 E HA -0.154 4.194 4.350 -0.003 0.000 0.202 115 E C 1.081 177.720 176.600 0.065 0.000 1.072 115 E CA 0.635 57.073 56.400 0.063 0.000 0.883 115 E CB -0.034 29.694 29.700 0.045 0.000 0.818 115 E HN 0.501 nan 8.360 nan 0.000 0.548 116 Q N 0.578 120.433 119.800 0.092 0.000 2.112 116 Q HA 0.040 4.378 4.340 -0.003 0.000 0.222 116 Q C -0.734 175.321 176.000 0.091 0.000 0.798 116 Q CA -0.074 55.782 55.803 0.088 0.000 1.060 116 Q CB 1.162 29.962 28.738 0.103 0.000 1.184 116 Q HN 0.119 nan 8.270 nan 0.000 0.475 117 T N -2.630 111.959 114.554 0.058 0.000 3.031 117 T HA 0.412 4.760 4.350 -0.003 0.000 0.305 117 T C -0.994 173.635 174.700 -0.117 0.000 0.985 117 T CA -0.715 61.342 62.100 -0.072 0.000 1.008 117 T CB 1.733 70.505 68.868 -0.161 0.000 1.005 117 T HN 0.077 nan 8.240 nan 0.000 0.444 118 E N 2.417 122.528 120.200 -0.148 0.000 2.259 118 E HA 0.411 4.759 4.350 -0.003 0.000 0.281 118 E C -0.563 175.924 176.600 -0.189 0.000 1.027 118 E CA -0.380 55.948 56.400 -0.120 0.000 0.838 118 E CB 0.883 30.533 29.700 -0.084 0.000 1.066 118 E HN 0.581 nan 8.360 nan 0.000 0.401 119 Q N 3.450 123.166 119.800 -0.140 0.000 2.368 119 Q HA 0.320 4.658 4.340 -0.003 0.000 0.256 119 Q C -0.579 175.358 176.000 -0.105 0.000 0.980 119 Q CA 0.099 55.807 55.803 -0.159 0.000 0.887 119 Q CB 1.240 29.911 28.738 -0.111 0.000 1.221 119 Q HN 0.500 nan 8.270 nan 0.000 0.458 120 M N 0.861 120.392 119.600 -0.115 0.000 2.247 120 M HA 0.185 4.663 4.480 -0.003 0.000 0.326 120 M C -0.204 176.061 176.300 -0.058 0.000 1.134 120 M CA -0.339 54.915 55.300 -0.075 0.000 1.136 120 M CB 0.618 33.174 32.600 -0.074 0.000 1.454 120 M HN 0.464 nan 8.290 nan 0.000 0.467 121 D N 1.778 122.155 120.400 -0.037 0.000 2.941 121 D HA 0.035 4.673 4.640 -0.003 0.000 0.236 121 D C 0.262 176.548 176.300 -0.023 0.000 1.147 121 D CA 0.367 54.352 54.000 -0.025 0.000 0.975 121 D CB -0.556 40.235 40.800 -0.016 0.000 1.162 121 D HN 0.602 nan 8.370 nan 0.000 0.444 122 N N -1.451 117.230 118.700 -0.031 0.000 1.939 122 N HA 0.055 4.793 4.740 -0.003 0.000 0.265 122 N C 0.597 176.087 175.510 -0.033 0.000 1.348 122 N CA -0.447 52.588 53.050 -0.024 0.000 0.746 122 N CB 0.748 39.222 38.487 -0.022 0.000 1.341 122 N HN 0.208 nan 8.380 nan 0.000 0.582 123 G N 0.661 109.424 108.800 -0.061 0.000 2.349 123 G HA2 0.404 4.362 3.960 -0.003 0.000 0.294 123 G HA3 0.404 4.362 3.960 -0.003 0.000 0.294 123 G C -2.166 172.631 174.900 -0.172 0.000 1.380 123 G CA -0.422 44.626 45.100 -0.085 0.000 0.811 123 G HN 0.007 nan 8.290 nan 0.000 0.519 124 V N 1.132 120.887 119.914 -0.265 0.000 2.357 124 V HA 0.523 4.641 4.120 -0.003 0.000 0.284 124 V C 0.435 176.090 176.094 -0.732 0.000 1.018 124 V CA -0.712 61.265 62.300 -0.538 0.000 0.841 124 V CB 0.995 32.328 31.823 -0.816 0.000 0.991 124 V HN 0.747 nan 8.190 nan 0.000 0.437 125 R N 3.637 123.752 120.500 -0.642 0.000 2.546 125 R HA 0.787 5.125 4.340 -0.003 0.000 0.266 125 R C -1.223 174.546 176.300 -0.885 0.000 1.086 125 R CA -0.358 55.434 56.100 -0.513 0.000 1.160 125 R CB 0.927 31.092 30.300 -0.224 0.000 1.138 125 R HN 0.512 nan 8.270 nan 0.000 0.567 126 F N -1.672 118.254 119.950 -0.040 0.000 2.613 126 F HA 0.412 4.937 4.527 -0.003 0.000 0.314 126 F C 0.630 176.424 175.800 -0.009 0.000 1.075 126 F CA -0.662 57.325 58.000 -0.021 0.000 0.945 126 F CB 2.404 41.396 39.000 -0.014 0.000 1.310 126 F HN 0.480 nan 8.300 nan 0.000 0.467 127 T N -0.464 114.199 114.554 0.182 0.000 3.066 127 T HA 0.384 4.732 4.350 -0.003 0.000 0.176 127 T C 0.441 175.196 174.700 0.091 0.000 0.826 127 T CA 0.193 62.354 62.100 0.101 0.000 1.280 127 T CB -0.575 68.330 68.868 0.062 0.000 2.214 127 T HN 0.642 nan 8.240 nan 0.000 0.399 128 A N 2.592 125.458 122.820 0.077 0.000 2.519 128 A HA 0.194 4.512 4.320 -0.003 0.000 0.275 128 A C 0.343 177.959 177.584 0.052 0.000 1.082 128 A CA 0.059 52.130 52.037 0.056 0.000 0.841 128 A CB -1.071 17.960 19.000 0.052 0.000 0.984 128 A HN 0.539 nan 8.150 nan 0.000 0.531 129 E N 1.983 122.205 120.200 0.037 0.000 3.417 129 E HA -0.047 4.301 4.350 -0.003 0.000 0.279 129 E C -0.138 176.468 176.600 0.010 0.000 0.851 129 E CA 0.657 57.070 56.400 0.020 0.000 0.980 129 E CB 0.189 29.896 29.700 0.011 0.000 0.934 129 E HN 0.494 nan 8.360 nan 0.000 0.541 130 V N 6.601 126.507 119.914 -0.013 0.000 2.287 130 V HA 0.091 4.209 4.120 -0.003 0.000 0.246 130 V C 0.808 176.886 176.094 -0.027 0.000 1.165 130 V CA -0.022 62.259 62.300 -0.032 0.000 1.088 130 V CB -0.347 31.419 31.823 -0.095 0.000 1.242 130 V HN 0.552 nan 8.190 nan 0.000 0.497 131 R N 3.770 124.264 120.500 -0.011 0.000 2.446 131 R HA 0.107 4.445 4.340 -0.003 0.000 0.314 131 R C 0.952 177.246 176.300 -0.010 0.000 1.003 131 R CA 0.325 56.420 56.100 -0.009 0.000 1.018 131 R CB 0.262 30.561 30.300 -0.001 0.000 0.945 131 R HN 0.889 nan 8.270 nan 0.000 0.419 132 S N 3.380 119.071 115.700 -0.014 0.000 2.643 132 S HA 0.018 4.486 4.470 -0.003 0.000 0.310 132 S C 1.347 175.945 174.600 -0.003 0.000 1.253 132 S CA 0.547 58.740 58.200 -0.012 0.000 1.047 132 S CB 0.460 63.652 63.200 -0.013 0.000 0.767 132 S HN 1.006 nan 8.310 nan 0.000 0.498 133 G N 2.711 111.513 108.800 0.002 0.000 2.267 133 G HA2 -0.349 3.610 3.960 -0.003 0.000 0.257 133 G HA3 -0.349 3.610 3.960 -0.003 0.000 0.257 133 G C 0.124 175.030 174.900 0.010 0.000 0.998 133 G CA 0.460 45.565 45.100 0.008 0.000 0.620 133 G HN 1.584 nan 8.290 nan 0.000 0.529 134 Q N 0.531 120.334 119.800 0.007 0.000 2.310 134 Q HA 0.309 4.647 4.340 -0.003 0.000 0.315 134 Q C 0.668 176.675 176.000 0.013 0.000 1.081 134 Q CA 0.591 56.400 55.803 0.009 0.000 0.981 134 Q CB 0.091 28.834 28.738 0.008 0.000 1.184 134 Q HN 0.442 nan 8.270 nan 0.000 0.389 135 N N 1.539 120.247 118.700 0.013 0.000 2.735 135 N HA -0.166 4.572 4.740 -0.003 0.000 0.248 135 N C -1.155 174.363 175.510 0.014 0.000 1.083 135 N CA 1.108 54.166 53.050 0.013 0.000 0.703 135 N CB -1.087 37.409 38.487 0.015 0.000 1.005 135 N HN 0.634 nan 8.380 nan 0.000 0.550 136 I N 0.774 121.354 120.570 0.016 0.000 2.410 136 I HA 0.230 4.398 4.170 -0.003 0.000 0.286 136 I C 0.523 176.653 176.117 0.022 0.000 1.009 136 I CA -0.622 60.691 61.300 0.022 0.000 1.111 136 I CB 1.659 39.675 38.000 0.027 0.000 1.262 136 I HN -0.220 nan 8.210 nan 0.000 0.443 137 R N 6.238 126.753 120.500 0.026 0.000 2.210 137 R HA 0.314 4.652 4.340 -0.003 0.000 0.338 137 R C -0.324 175.992 176.300 0.026 0.000 1.062 137 R CA -0.478 55.632 56.100 0.018 0.000 0.902 137 R CB 0.654 30.962 30.300 0.013 0.000 1.050 137 R HN 0.494 nan 8.270 nan 0.000 0.461 138 R N 2.806 123.315 120.500 0.016 0.000 2.459 138 R HA 0.194 4.532 4.340 -0.003 0.000 0.281 138 R C 0.105 176.406 176.300 0.001 0.000 1.050 138 R CA -0.877 55.236 56.100 0.021 0.000 1.055 138 R CB 0.846 31.156 30.300 0.017 0.000 1.045 138 R HN 0.514 nan 8.270 nan 0.000 0.495 139 R N 0.824 121.332 120.500 0.013 0.000 2.538 139 R HA -0.109 4.229 4.340 -0.003 0.000 0.273 139 R C 0.656 176.938 176.300 -0.029 0.000 0.967 139 R CA 1.560 57.651 56.100 -0.017 0.000 1.101 139 R CB -0.038 30.275 30.300 0.023 0.000 0.908 139 R HN 0.941 nan 8.270 nan 0.000 0.411 140 G N 2.754 111.521 108.800 -0.055 0.000 2.212 140 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.267 140 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.267 140 G C 0.619 175.493 174.900 -0.043 0.000 1.002 140 G CA 0.778 45.848 45.100 -0.050 0.000 0.729 140 G HN 0.883 nan 8.290 nan 0.000 0.517 141 E N -0.494 119.682 120.200 -0.041 0.000 2.110 141 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 141 E C 1.718 178.294 176.600 -0.040 0.000 0.988 141 E CA 1.421 57.801 56.400 -0.033 0.000 0.804 141 E CB 0.028 29.713 29.700 -0.026 0.000 0.745 141 E HN 0.620 nan 8.360 nan 0.000 0.458 142 D N -0.615 119.755 120.400 -0.050 0.000 2.269 142 D HA 0.130 4.768 4.640 -0.003 0.000 0.220 142 D C 0.507 176.766 176.300 -0.069 0.000 0.962 142 D CA 0.619 54.586 54.000 -0.055 0.000 0.884 142 D CB 0.870 41.638 40.800 -0.054 0.000 1.023 142 D HN 0.121 nan 8.370 nan 0.000 0.484 143 I N 1.148 121.675 120.570 -0.072 0.000 2.512 143 I HA 0.102 4.270 4.170 -0.003 0.000 0.287 143 I C -0.709 175.368 176.117 -0.066 0.000 1.069 143 I CA -0.528 60.724 61.300 -0.080 0.000 1.056 143 I CB 2.206 40.153 38.000 -0.090 0.000 1.229 143 I HN -0.202 nan 8.210 nan 0.000 0.429 144 S N 4.462 120.127 115.700 -0.058 0.000 2.525 144 S HA 0.735 5.203 4.470 -0.003 0.000 0.278 144 S C 0.249 174.824 174.600 -0.040 0.000 1.234 144 S CA -0.871 57.303 58.200 -0.044 0.000 1.058 144 S CB 1.791 64.970 63.200 -0.035 0.000 0.983 144 S HN 0.708 nan 8.310 nan 0.000 0.495 145 A N 1.830 124.631 122.820 -0.032 0.000 2.561 145 A HA 0.492 4.810 4.320 -0.003 0.000 0.234 145 A C 1.586 179.157 177.584 -0.021 0.000 1.055 145 A CA 0.195 52.217 52.037 -0.024 0.000 0.756 145 A CB -1.244 17.747 19.000 -0.015 0.000 0.986 145 A HN 2.366 nan 8.150 nan 0.000 0.505 146 G N 0.050 108.839 108.800 -0.019 0.000 2.184 146 G HA2 0.126 4.084 3.960 -0.003 0.000 0.264 146 G HA3 0.126 4.084 3.960 -0.003 0.000 0.264 146 G C 0.581 175.467 174.900 -0.023 0.000 0.975 146 G CA 0.779 45.869 45.100 -0.016 0.000 0.642 146 G HN 2.197 nan 8.290 nan 0.000 0.536 147 A N -0.669 122.130 122.820 -0.034 0.000 2.271 147 A HA 0.744 5.062 4.320 -0.003 0.000 0.288 147 A C 0.440 177.992 177.584 -0.054 0.000 1.094 147 A CA 0.088 52.097 52.037 -0.045 0.000 0.828 147 A CB 1.367 20.332 19.000 -0.059 0.000 1.091 147 A HN 1.048 nan 8.150 nan 0.000 0.493 148 V N 3.084 122.962 119.914 -0.060 0.000 2.322 148 V HA 0.091 4.209 4.120 -0.003 0.000 0.258 148 V C 1.199 177.216 176.094 -0.128 0.000 1.074 148 V CA -0.044 62.219 62.300 -0.063 0.000 0.909 148 V CB 0.396 32.197 31.823 -0.037 0.000 1.090 148 V HN 0.735 nan 8.190 nan 0.000 0.486 149 V N 5.091 124.898 119.914 -0.179 0.000 2.223 149 V HA -0.066 4.052 4.120 -0.003 0.000 0.244 149 V C 0.547 176.257 176.094 -0.640 0.000 1.045 149 V CA 1.682 63.723 62.300 -0.432 0.000 1.000 149 V CB -0.372 31.201 31.823 -0.415 0.000 0.635 149 V HN 0.631 nan 8.190 nan 0.000 0.445 150 F N 1.065 121.005 119.950 -0.016 0.000 2.529 150 F HA 0.552 5.077 4.527 -0.003 0.000 0.320 150 F C -2.485 173.304 175.800 -0.018 0.000 1.118 150 F CA -2.541 55.447 58.000 -0.019 0.000 0.915 150 F CB 1.892 40.877 39.000 -0.023 0.000 1.161 150 F HN -0.038 nan 8.300 nan 0.000 0.445 151 P HA 0.260 nan 4.420 nan 0.000 0.276 151 P C -0.766 176.576 177.300 0.069 0.000 1.244 151 P CA -0.345 62.802 63.100 0.080 0.000 0.801 151 P CB 1.102 32.833 31.700 0.051 0.000 1.006 152 A N 0.932 123.777 122.820 0.041 0.000 2.483 152 A HA 0.428 4.746 4.320 -0.003 0.000 0.238 152 A C 1.419 179.013 177.584 0.016 0.000 1.070 152 A CA 0.853 52.905 52.037 0.025 0.000 0.770 152 A CB -1.469 17.543 19.000 0.018 0.000 1.008 152 A HN 0.902 nan 8.150 nan 0.000 0.497 153 G N 0.929 109.731 108.800 0.002 0.000 2.176 153 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.232 153 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.232 153 G C 0.366 175.254 174.900 -0.020 0.000 0.986 153 G CA 0.366 45.461 45.100 -0.008 0.000 0.643 153 G HN 1.193 nan 8.290 nan 0.000 0.522 154 T N 1.004 115.545 114.554 -0.021 0.000 2.817 154 T HA 0.468 4.816 4.350 -0.003 0.000 0.293 154 T C 0.551 175.188 174.700 -0.107 0.000 0.964 154 T CA -0.225 61.845 62.100 -0.049 0.000 1.085 154 T CB 1.409 70.258 68.868 -0.032 0.000 0.921 154 T HN 0.490 nan 8.240 nan 0.000 0.502 155 R N 4.227 124.650 120.500 -0.127 0.000 2.248 155 R HA 0.248 4.586 4.340 -0.003 0.000 0.337 155 R C -0.232 175.909 176.300 -0.264 0.000 1.085 155 R CA -0.455 55.541 56.100 -0.173 0.000 0.934 155 R CB -0.178 30.029 30.300 -0.154 0.000 1.034 155 R HN 0.597 nan 8.270 nan 0.000 0.465 156 L N 4.226 125.273 121.223 -0.293 0.000 2.455 156 L HA 0.149 4.487 4.340 -0.003 0.000 0.272 156 L C 0.389 176.945 176.870 -0.524 0.000 1.174 156 L CA 0.461 55.081 54.840 -0.366 0.000 0.869 156 L CB 0.993 42.887 42.059 -0.274 0.000 1.130 156 L HN 0.752 nan 8.230 nan 0.000 0.474 157 T N -0.074 114.194 114.554 -0.477 0.000 2.778 157 T HA 0.154 4.502 4.350 -0.003 0.000 0.293 157 T C 1.007 175.609 174.700 -0.164 0.000 1.144 157 T CA -0.486 61.297 62.100 -0.527 0.000 1.010 157 T CB 1.854 70.509 68.868 -0.355 0.000 1.325 157 T HN 0.607 nan 8.240 nan 0.000 0.515 158 T N 1.447 116.059 114.554 0.097 0.000 2.897 158 T HA -0.083 4.265 4.350 -0.003 0.000 0.271 158 T C 1.998 176.721 174.700 0.039 0.000 1.084 158 T CA 1.344 63.524 62.100 0.134 0.000 1.123 158 T CB -0.327 68.652 68.868 0.185 0.000 0.865 158 T HN 0.617 nan 8.240 nan 0.000 0.496 159 A N 1.401 124.218 122.820 -0.005 0.000 1.897 159 A HA -0.015 4.303 4.320 -0.003 0.000 0.215 159 A C 2.194 179.761 177.584 -0.029 0.000 1.181 159 A CA 1.204 53.240 52.037 -0.002 0.000 0.620 159 A CB -0.205 18.795 19.000 -0.001 0.000 0.821 159 A HN 0.435 nan 8.150 nan 0.000 0.443 160 E N -0.160 119.920 120.200 -0.200 0.000 2.166 160 E HA 0.158 4.506 4.350 -0.003 0.000 0.192 160 E C 1.815 178.265 176.600 -0.249 0.000 0.967 160 E CA 0.273 56.403 56.400 -0.450 0.000 0.840 160 E CB -0.324 28.649 29.700 -1.211 0.000 0.795 160 E HN 0.496 nan 8.360 nan 0.000 0.470 161 L N 1.104 122.219 121.223 -0.179 0.000 2.042 161 L HA -0.145 4.193 4.340 -0.003 0.000 0.210 161 L C -0.697 176.175 176.870 0.004 0.000 1.076 161 L CA 1.460 56.254 54.840 -0.076 0.000 0.749 161 L CB -1.169 40.864 42.059 -0.043 0.000 0.893 161 L HN 0.177 nan 8.230 nan 0.000 0.432 162 P HA -0.091 nan 4.420 nan 0.000 0.219 162 P C 1.882 179.222 177.300 0.068 0.000 1.150 162 P CA 0.875 64.002 63.100 0.044 0.000 0.814 162 P CB 0.095 31.822 31.700 0.044 0.000 0.787 163 V N -0.119 119.861 119.914 0.110 0.000 2.343 163 V HA -0.225 3.893 4.120 -0.003 0.000 0.247 163 V C 2.333 178.517 176.094 0.149 0.000 1.051 163 V CA 1.585 63.978 62.300 0.156 0.000 1.036 163 V CB -1.046 30.957 31.823 0.299 0.000 0.654 163 V HN 0.056 nan 8.190 nan 0.000 0.451 164 I N 0.531 121.203 120.570 0.169 0.000 2.286 164 I HA -0.252 3.916 4.170 -0.003 0.000 0.248 164 I C 2.636 178.796 176.117 0.072 0.000 1.115 164 I CA 1.518 62.896 61.300 0.131 0.000 1.392 164 I CB -0.583 37.476 38.000 0.098 0.000 1.065 164 I HN 0.297 nan 8.210 nan 0.000 0.418 165 A N 0.698 123.551 122.820 0.055 0.000 1.930 165 A HA -0.219 4.099 4.320 -0.003 0.000 0.217 165 A C 2.501 180.105 177.584 0.035 0.000 1.175 165 A CA 1.947 54.007 52.037 0.039 0.000 0.627 165 A CB -0.832 18.187 19.000 0.033 0.000 0.815 165 A HN 0.520 nan 8.150 nan 0.000 0.443 166 S N 0.166 115.889 115.700 0.038 0.000 2.419 166 S HA -0.107 4.361 4.470 -0.003 0.000 0.235 166 S C 1.578 176.189 174.600 0.018 0.000 1.019 166 S CA 1.516 59.732 58.200 0.026 0.000 0.982 166 S CB -0.673 62.543 63.200 0.026 0.000 0.789 166 S HN 0.474 nan 8.310 nan 0.000 0.490 167 L N 0.749 121.987 121.223 0.025 0.000 2.599 167 L HA 0.292 4.630 4.340 -0.003 0.000 0.230 167 L C 2.076 178.956 176.870 0.017 0.000 1.141 167 L CA 0.405 55.255 54.840 0.016 0.000 0.877 167 L CB -0.898 41.174 42.059 0.021 0.000 1.009 167 L HN 0.647 nan 8.230 nan 0.000 0.447 168 G N 0.751 109.563 108.800 0.020 0.000 2.217 168 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.246 168 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.246 168 G C 0.327 175.239 174.900 0.020 0.000 0.990 168 G CA -0.205 44.906 45.100 0.019 0.000 0.627 168 G HN 0.294 nan 8.290 nan 0.000 0.522 169 I N 1.365 121.950 120.570 0.025 0.000 2.533 169 I HA 0.436 4.604 4.170 -0.003 0.000 0.284 169 I C 1.523 177.654 176.117 0.024 0.000 1.109 169 I CA 0.405 61.720 61.300 0.025 0.000 1.412 169 I CB 1.404 39.423 38.000 0.033 0.000 1.396 169 I HN 0.167 nan 8.210 nan 0.000 0.543 170 A N 5.827 128.659 122.820 0.020 0.000 2.252 170 A HA 0.174 4.492 4.320 -0.003 0.000 0.213 170 A C 0.499 178.093 177.584 0.017 0.000 1.188 170 A CA 0.257 52.305 52.037 0.018 0.000 0.863 170 A CB 0.005 19.015 19.000 0.016 0.000 0.893 170 A HN 0.838 nan 8.150 nan 0.000 0.495 171 E N -1.066 119.144 120.200 0.017 0.000 2.407 171 E HA 0.563 4.911 4.350 -0.003 0.000 0.279 171 E C -1.176 175.432 176.600 0.014 0.000 1.012 171 E CA -0.859 55.549 56.400 0.014 0.000 0.800 171 E CB 1.639 31.346 29.700 0.013 0.000 1.276 171 E HN 0.362 nan 8.360 nan 0.000 0.452 172 V N -3.021 116.899 119.914 0.010 0.000 3.114 172 V HA 0.711 4.829 4.120 -0.003 0.000 0.308 172 V C -2.881 173.217 176.094 0.006 0.000 1.168 172 V CA -2.473 59.833 62.300 0.009 0.000 1.015 172 V CB 1.772 33.599 31.823 0.006 0.000 1.050 172 V HN 0.689 nan 8.190 nan 0.000 0.433 173 P HA 0.521 nan 4.420 nan 0.000 0.292 173 P C -0.745 176.555 177.300 0.001 0.000 1.287 173 P CA -0.213 62.891 63.100 0.006 0.000 0.800 173 P CB 1.592 33.297 31.700 0.009 0.000 0.945 174 V N 1.762 121.675 119.914 -0.001 0.000 2.925 174 V HA 0.463 4.581 4.120 -0.003 0.000 0.311 174 V C 0.076 176.169 176.094 -0.002 0.000 1.104 174 V CA -1.346 60.950 62.300 -0.007 0.000 0.954 174 V CB 1.837 33.650 31.823 -0.016 0.000 1.022 174 V HN 0.230 nan 8.190 nan 0.000 0.427 175 I N 3.007 123.575 120.570 -0.003 0.000 2.815 175 I HA 0.124 4.292 4.170 -0.003 0.000 0.291 175 I C 1.262 177.382 176.117 0.005 0.000 1.209 175 I CA 0.497 61.799 61.300 0.003 0.000 1.431 175 I CB 0.021 38.023 38.000 0.002 0.000 1.351 175 I HN 1.028 nan 8.210 nan 0.000 0.585 176 R N 5.726 126.233 120.500 0.011 0.000 2.694 176 R HA 0.166 4.504 4.340 -0.003 0.000 0.268 176 R C -0.200 176.108 176.300 0.015 0.000 1.061 176 R CA -0.548 55.560 56.100 0.013 0.000 1.133 176 R CB 0.448 30.758 30.300 0.016 0.000 1.020 176 R HN 0.401 nan 8.270 nan 0.000 0.475 177 K N 1.466 121.875 120.400 0.015 0.000 2.485 177 K HA 0.017 4.335 4.320 -0.003 0.000 0.277 177 K C -0.217 176.396 176.600 0.022 0.000 0.990 177 K CA -0.198 56.099 56.287 0.017 0.000 0.994 177 K CB 0.714 33.225 32.500 0.018 0.000 0.906 177 K HN 0.311 nan 8.250 nan 0.000 0.488 178 V N 4.116 124.044 119.914 0.024 0.000 2.637 178 V HA 0.033 4.151 4.120 -0.003 0.000 0.296 178 V C 0.664 176.778 176.094 0.033 0.000 1.046 178 V CA 0.062 62.383 62.300 0.034 0.000 1.066 178 V CB 0.579 32.423 31.823 0.035 0.000 0.968 178 V HN 0.643 nan 8.190 nan 0.000 0.483 179 R N 3.418 123.943 120.500 0.041 0.000 2.338 179 R HA 0.660 4.998 4.340 -0.003 0.000 0.317 179 R C -1.406 174.919 176.300 0.041 0.000 0.968 179 R CA -0.548 55.571 56.100 0.033 0.000 0.849 179 R CB 1.786 32.106 30.300 0.032 0.000 1.128 179 R HN 0.504 nan 8.270 nan 0.000 0.448 180 V N 2.270 122.198 119.914 0.022 0.000 2.483 180 V HA 0.467 4.585 4.120 -0.003 0.000 0.297 180 V C -0.127 175.966 176.094 -0.001 0.000 1.027 180 V CA -0.977 61.338 62.300 0.025 0.000 0.855 180 V CB 1.707 33.546 31.823 0.027 0.000 0.995 180 V HN 0.898 nan 8.190 nan 0.000 0.424 181 A N 5.736 128.569 122.820 0.023 0.000 2.309 181 A HA 0.849 5.167 4.320 -0.003 0.000 0.298 181 A C -0.734 176.841 177.584 -0.016 0.000 1.165 181 A CA -0.393 51.662 52.037 0.030 0.000 0.821 181 A CB 0.841 19.892 19.000 0.085 0.000 1.102 181 A HN 0.814 nan 8.150 nan 0.000 0.500 182 L N 3.074 124.293 121.223 -0.007 0.000 2.401 182 L HA 0.898 5.236 4.340 -0.003 0.000 0.266 182 L C -1.542 175.372 176.870 0.074 0.000 0.991 182 L CA -0.713 54.088 54.840 -0.065 0.000 0.818 182 L CB 1.931 43.951 42.059 -0.065 0.000 1.321 182 L HN 0.945 nan 8.230 nan 0.000 0.413 183 F N 0.929 120.867 119.950 -0.020 0.000 2.769 183 F HA 0.647 5.172 4.527 -0.003 0.000 0.313 183 F C -1.215 174.579 175.800 -0.010 0.000 1.146 183 F CA -0.865 57.119 58.000 -0.027 0.000 0.934 183 F CB 0.965 39.923 39.000 -0.071 0.000 1.283 183 F HN 0.393 nan 8.300 nan 0.000 0.443 184 S N 0.452 116.372 115.700 0.367 0.000 2.671 184 S HA 0.926 5.394 4.470 -0.003 0.000 0.299 184 S C -1.037 173.715 174.600 0.252 0.000 1.116 184 S CA -0.412 57.938 58.200 0.250 0.000 0.912 184 S CB 2.064 65.341 63.200 0.128 0.000 1.130 184 S HN 1.300 nan 8.310 nan 0.000 0.501 185 T N -0.998 113.668 114.554 0.187 0.000 2.853 185 T HA 0.724 5.072 4.350 -0.003 0.000 0.311 185 T C -0.823 173.942 174.700 0.109 0.000 1.307 185 T CA 0.347 62.530 62.100 0.138 0.000 1.019 185 T CB 1.129 70.088 68.868 0.152 0.000 1.264 185 T HN 2.313 nan 8.240 nan 0.000 0.497 186 G N 2.915 111.774 108.800 0.098 0.000 2.693 186 G HA2 0.128 4.086 3.960 -0.003 0.000 0.290 186 G HA3 0.128 4.086 3.960 -0.003 0.000 0.290 186 G C 0.023 174.962 174.900 0.065 0.000 1.378 186 G CA -0.134 45.017 45.100 0.085 0.000 1.120 186 G HN 0.664 nan 8.290 nan 0.000 0.609 187 D N 1.372 121.811 120.400 0.065 0.000 2.203 187 D HA -0.169 4.469 4.640 -0.003 0.000 0.199 187 D C 2.653 178.967 176.300 0.024 0.000 0.997 187 D CA 2.106 56.131 54.000 0.043 0.000 0.863 187 D CB -0.036 40.789 40.800 0.042 0.000 0.928 187 D HN 0.898 nan 8.370 nan 0.000 0.458 188 A N -0.104 122.731 122.820 0.024 0.000 2.125 188 A HA -0.051 4.268 4.320 -0.003 0.000 0.219 188 A C 1.068 178.645 177.584 -0.013 0.000 1.156 188 A CA 0.579 52.618 52.037 0.004 0.000 0.671 188 A CB -0.360 18.647 19.000 0.011 0.000 0.794 188 A HN 0.229 nan 8.150 nan 0.000 0.459 189 L N -0.142 121.085 121.223 0.007 0.000 2.343 189 L HA 0.436 4.774 4.340 -0.003 0.000 0.275 189 L C 0.022 176.898 176.870 0.010 0.000 1.056 189 L CA -0.725 54.119 54.840 0.006 0.000 0.804 189 L CB 1.038 43.120 42.059 0.038 0.000 1.203 189 L HN 0.185 nan 8.230 nan 0.000 0.440 190 Q N 1.917 121.725 119.800 0.013 0.000 2.416 190 Q HA 0.584 4.922 4.340 -0.003 0.000 0.279 190 Q C -0.962 175.153 176.000 0.192 0.000 1.101 190 Q CA -0.882 54.962 55.803 0.067 0.000 0.830 190 Q CB 2.973 31.710 28.738 -0.003 0.000 1.402 190 Q HN 0.508 nan 8.270 nan 0.000 0.445 191 L N 2.708 124.036 121.223 0.175 0.000 2.290 191 L HA 0.291 4.629 4.340 -0.003 0.000 0.284 191 L C -2.062 174.893 176.870 0.142 0.000 1.078 191 L CA -1.764 53.158 54.840 0.136 0.000 0.815 191 L CB 0.905 43.005 42.059 0.068 0.000 1.162 191 L HN 0.210 nan 8.230 nan 0.000 0.435 192 P HA 0.016 nan 4.420 nan 0.000 0.254 192 P C 0.618 177.812 177.300 -0.178 0.000 1.186 192 P CA 0.670 63.590 63.100 -0.299 0.000 0.868 192 P CB 0.352 31.884 31.700 -0.279 0.000 0.856 193 G N 2.230 110.947 108.800 -0.138 0.000 3.272 193 G HA2 -0.073 3.885 3.960 -0.003 0.000 0.219 193 G HA3 -0.073 3.885 3.960 -0.003 0.000 0.219 193 G C -0.239 174.682 174.900 0.035 0.000 0.952 193 G CA -0.386 44.683 45.100 -0.050 0.000 0.833 193 G HN 0.563 nan 8.290 nan 0.000 0.608 194 Q N 0.428 120.308 119.800 0.134 0.000 2.496 194 Q HA 0.724 5.062 4.340 -0.003 0.000 0.286 194 Q C -2.933 173.182 176.000 0.191 0.000 1.103 194 Q CA -2.209 53.675 55.803 0.134 0.000 0.813 194 Q CB 2.078 30.876 28.738 0.100 0.000 1.444 194 Q HN 0.107 nan 8.270 nan 0.000 0.443 195 P HA 0.028 nan 4.420 nan 0.000 0.267 195 P C -0.907 176.398 177.300 0.008 0.000 1.200 195 P CA -0.272 62.869 63.100 0.068 0.000 0.772 195 P CB 0.470 32.191 31.700 0.034 0.000 0.855 196 L N 2.683 123.878 121.223 -0.047 0.000 2.257 196 L HA 0.401 4.739 4.340 -0.003 0.000 0.290 196 L C 1.214 178.031 176.870 -0.090 0.000 1.044 196 L CA 0.221 54.964 54.840 -0.162 0.000 0.810 196 L CB 0.318 42.236 42.059 -0.235 0.000 1.193 196 L HN 0.575 nan 8.230 nan 0.000 0.425 197 G N 2.784 111.535 108.800 -0.082 0.000 2.466 197 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.279 197 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.279 197 G C 0.596 175.468 174.900 -0.047 0.000 1.410 197 G CA -0.168 44.903 45.100 -0.048 0.000 1.065 197 G HN 0.638 nan 8.290 nan 0.000 0.547 198 D N 0.041 120.422 120.400 -0.031 0.000 2.330 198 D HA -0.097 4.541 4.640 -0.003 0.000 0.228 198 D C 2.077 178.359 176.300 -0.031 0.000 1.136 198 D CA 1.814 55.800 54.000 -0.024 0.000 0.983 198 D CB -0.730 40.061 40.800 -0.014 0.000 1.403 198 D HN 0.430 nan 8.370 nan 0.000 0.524 199 G N 0.873 109.657 108.800 -0.027 0.000 4.198 199 G HA2 0.242 4.200 3.960 -0.003 0.000 0.282 199 G HA3 0.242 4.200 3.960 -0.003 0.000 0.282 199 G C -0.112 174.762 174.900 -0.044 0.000 1.262 199 G CA -0.273 44.809 45.100 -0.029 0.000 1.473 199 G HN 0.131 nan 8.290 nan 0.000 0.624 200 Q N -0.047 119.707 119.800 -0.076 0.000 2.205 200 Q HA 0.692 5.030 4.340 -0.003 0.000 0.249 200 Q C -0.205 175.692 176.000 -0.172 0.000 0.948 200 Q CA -0.527 55.208 55.803 -0.113 0.000 0.895 200 Q CB 2.477 31.132 28.738 -0.138 0.000 1.249 200 Q HN 0.583 nan 8.270 nan 0.000 0.458 201 I N -2.961 117.498 120.570 -0.185 0.000 3.095 201 I HA 0.451 4.619 4.170 -0.003 0.000 0.310 201 I C -1.189 174.784 176.117 -0.240 0.000 1.196 201 I CA -1.334 59.840 61.300 -0.211 0.000 0.985 201 I CB 1.335 39.295 38.000 -0.068 0.000 1.250 201 I HN 0.456 nan 8.210 nan 0.000 0.446 202 Y N 0.804 121.099 120.300 -0.008 0.000 2.304 202 Y HA 0.245 4.793 4.550 -0.003 0.000 0.327 202 Y C 0.481 176.369 175.900 -0.021 0.000 1.209 202 Y CA 0.002 58.093 58.100 -0.015 0.000 1.299 202 Y CB 0.598 39.043 38.460 -0.024 0.000 1.249 202 Y HN 0.543 nan 8.280 nan 0.000 0.519 203 D N 0.784 121.281 120.400 0.162 0.000 2.389 203 D HA 0.066 4.704 4.640 -0.003 0.000 0.247 203 D C 0.587 176.909 176.300 0.036 0.000 1.128 203 D CA 0.410 54.456 54.000 0.075 0.000 0.884 203 D CB 1.126 41.966 40.800 0.067 0.000 1.194 203 D HN 0.745 nan 8.370 nan 0.000 0.441 204 T N -0.092 114.452 114.554 -0.015 0.000 3.098 204 T HA 0.036 4.384 4.350 -0.003 0.000 0.256 204 T C 1.333 175.960 174.700 -0.122 0.000 0.921 204 T CA -0.344 61.703 62.100 -0.090 0.000 0.916 204 T CB -0.189 68.589 68.868 -0.149 0.000 1.246 204 T HN 0.156 nan 8.240 nan 0.000 0.511 205 N N 1.980 120.630 118.700 -0.083 0.000 2.094 205 N HA -0.036 4.702 4.740 -0.003 0.000 0.191 205 N C 1.904 177.372 175.510 -0.070 0.000 1.023 205 N CA 1.427 54.433 53.050 -0.073 0.000 0.857 205 N CB -0.407 38.070 38.487 -0.016 0.000 1.013 205 N HN 0.452 nan 8.380 nan 0.000 0.426 206 R N 0.612 121.092 120.500 -0.035 0.000 2.091 206 R HA -0.025 4.313 4.340 -0.003 0.000 0.238 206 R C 2.192 178.484 176.300 -0.013 0.000 1.136 206 R CA 0.794 56.886 56.100 -0.013 0.000 0.959 206 R CB -0.343 29.974 30.300 0.029 0.000 0.856 206 R HN 0.227 nan 8.270 nan 0.000 0.437 207 L N 0.049 121.243 121.223 -0.047 0.000 2.056 207 L HA -0.115 4.223 4.340 -0.003 0.000 0.207 207 L C 2.231 179.052 176.870 -0.082 0.000 1.078 207 L CA 1.737 56.533 54.840 -0.073 0.000 0.749 207 L CB -0.616 41.382 42.059 -0.103 0.000 0.901 207 L HN 0.325 nan 8.230 nan 0.000 0.433 208 A N -0.395 122.354 122.820 -0.118 0.000 1.858 208 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 208 A C 2.167 179.629 177.584 -0.203 0.000 1.190 208 A CA 2.051 54.007 52.037 -0.134 0.000 0.617 208 A CB -0.919 17.996 19.000 -0.142 0.000 0.827 208 A HN 0.333 nan 8.150 nan 0.000 0.443 209 V N -0.330 119.432 119.914 -0.254 0.000 2.427 209 V HA -0.234 3.884 4.120 -0.003 0.000 0.248 209 V C 2.531 178.458 176.094 -0.278 0.000 1.051 209 V CA 2.079 64.100 62.300 -0.464 0.000 1.048 209 V CB -1.062 30.540 31.823 -0.369 0.000 0.666 209 V HN 0.750 nan 8.190 nan 0.000 0.456 210 H N 0.498 119.446 119.070 -0.203 0.000 2.321 210 H HA -0.108 4.446 4.556 -0.003 0.000 0.300 210 H C 2.192 177.449 175.328 -0.118 0.000 1.087 210 H CA 2.067 58.039 56.048 -0.125 0.000 1.319 210 H CB -0.209 29.504 29.762 -0.081 0.000 1.379 210 H HN 0.342 nan 8.280 nan 0.000 0.501 211 L N -0.231 121.039 121.223 0.078 0.000 2.012 211 L HA -0.237 4.101 4.340 -0.003 0.000 0.210 211 L C 3.060 179.919 176.870 -0.020 0.000 1.073 211 L CA 1.481 56.333 54.840 0.020 0.000 0.748 211 L CB -0.434 41.602 42.059 -0.037 0.000 0.891 211 L HN 0.252 nan 8.230 nan 0.000 0.431 212 M N -0.800 118.732 119.600 -0.114 0.000 2.117 212 M HA -0.216 4.262 4.480 -0.003 0.000 0.262 212 M C 2.362 178.661 176.300 -0.003 0.000 1.065 212 M CA 1.702 56.939 55.300 -0.105 0.000 1.114 212 M CB -0.376 32.072 32.600 -0.253 0.000 1.361 212 M HN 0.241 nan 8.290 nan 0.000 0.408 213 L N -0.126 121.076 121.223 -0.035 0.000 2.042 213 L HA -0.247 4.091 4.340 -0.003 0.000 0.210 213 L C 2.464 179.350 176.870 0.026 0.000 1.076 213 L CA 1.544 56.405 54.840 0.036 0.000 0.749 213 L CB -0.552 41.483 42.059 -0.041 0.000 0.893 213 L HN 0.388 nan 8.230 nan 0.000 0.432 214 E N -0.679 119.539 120.200 0.030 0.000 2.072 214 E HA -0.236 4.112 4.350 -0.003 0.000 0.191 214 E C 2.239 178.863 176.600 0.041 0.000 0.985 214 E CA 0.872 57.300 56.400 0.047 0.000 0.801 214 E CB 0.180 29.939 29.700 0.098 0.000 0.750 214 E HN 0.331 nan 8.360 nan 0.000 0.452 215 Q N 0.155 119.975 119.800 0.033 0.000 2.167 215 Q HA -0.071 4.267 4.340 -0.003 0.000 0.202 215 Q C 2.166 178.189 176.000 0.038 0.000 0.970 215 Q CA 0.842 56.662 55.803 0.028 0.000 0.855 215 Q CB -0.081 28.661 28.738 0.007 0.000 0.911 215 Q HN 0.402 nan 8.270 nan 0.000 0.438 216 L N -0.815 120.433 121.223 0.042 0.000 2.552 216 L HA 0.023 4.361 4.340 -0.003 0.000 0.227 216 L C 1.035 177.927 176.870 0.035 0.000 1.146 216 L CA 0.612 55.476 54.840 0.039 0.000 0.858 216 L CB -0.213 41.881 42.059 0.059 0.000 0.969 216 L HN 0.383 nan 8.230 nan 0.000 0.451 217 G N -1.024 107.800 108.800 0.041 0.000 2.132 217 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.234 217 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.234 217 G C 0.173 175.090 174.900 0.028 0.000 0.989 217 G CA -0.064 45.060 45.100 0.039 0.000 0.676 217 G HN 0.319 nan 8.290 nan 0.000 0.522 218 C N -0.087 119.228 119.300 0.024 0.000 2.362 218 C HA 0.692 5.150 4.460 -0.003 0.000 0.363 218 C C 0.807 175.798 174.990 0.001 0.000 1.220 218 C CA -0.684 58.343 59.018 0.015 0.000 2.379 218 C CB 1.352 29.104 27.740 0.019 0.000 2.351 218 C HN 0.558 nan 8.230 nan 0.000 0.582 219 E N 0.493 120.693 120.200 -0.001 0.000 2.200 219 E HA 0.456 4.804 4.350 -0.003 0.000 0.283 219 E C -1.119 175.457 176.600 -0.040 0.000 1.015 219 E CA -0.146 56.248 56.400 -0.009 0.000 0.819 219 E CB 0.852 30.555 29.700 0.005 0.000 1.081 219 E HN 0.480 nan 8.360 nan 0.000 0.397 220 V N 5.583 125.446 119.914 -0.086 0.000 2.427 220 V HA 0.326 4.444 4.120 -0.003 0.000 0.286 220 V C -0.187 175.840 176.094 -0.112 0.000 1.034 220 V CA -0.701 61.491 62.300 -0.181 0.000 0.893 220 V CB 1.191 32.711 31.823 -0.506 0.000 0.982 220 V HN 0.553 nan 8.190 nan 0.000 0.452 221 I N 4.059 124.586 120.570 -0.072 0.000 2.460 221 I HA 0.303 4.471 4.170 -0.003 0.000 0.277 221 I C 0.245 176.367 176.117 0.008 0.000 1.057 221 I CA 0.181 61.474 61.300 -0.010 0.000 1.179 221 I CB 0.633 38.644 38.000 0.018 0.000 1.329 221 I HN 0.601 nan 8.210 nan 0.000 0.478 222 N N 5.124 123.840 118.700 0.027 0.000 2.406 222 N HA 0.180 4.918 4.740 -0.003 0.000 0.251 222 N C 0.406 175.973 175.510 0.095 0.000 1.069 222 N CA -0.389 52.713 53.050 0.085 0.000 0.947 222 N CB 0.669 39.270 38.487 0.190 0.000 1.111 222 N HN 0.415 nan 8.380 nan 0.000 0.497 223 L N 3.159 124.454 121.223 0.119 0.000 2.629 223 L HA 0.328 4.666 4.340 -0.003 0.000 0.230 223 L C 1.545 178.454 176.870 0.066 0.000 1.151 223 L CA 0.393 55.282 54.840 0.081 0.000 0.924 223 L CB -1.511 40.588 42.059 0.067 0.000 1.137 223 L HN 0.833 nan 8.230 nan 0.000 0.457 224 G N 0.509 109.366 108.800 0.094 0.000 2.569 224 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.259 224 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.259 224 G C 0.114 175.066 174.900 0.086 0.000 1.263 224 G CA -0.206 44.939 45.100 0.075 0.000 0.928 224 G HN 0.149 nan 8.290 nan 0.000 0.572 225 I N 1.509 122.113 120.570 0.057 0.000 2.304 225 I HA 0.271 4.439 4.170 -0.003 0.000 0.291 225 I C 0.452 176.577 176.117 0.013 0.000 1.018 225 I CA -0.781 60.554 61.300 0.058 0.000 1.260 225 I CB 0.992 39.026 38.000 0.057 0.000 1.390 225 I HN 0.244 nan 8.210 nan 0.000 0.475 226 I N 6.468 127.027 120.570 -0.018 0.000 2.474 226 I HA 0.201 4.369 4.170 -0.003 0.000 0.287 226 I C 0.802 176.916 176.117 -0.006 0.000 1.048 226 I CA -0.395 60.859 61.300 -0.077 0.000 1.383 226 I CB 0.517 38.384 38.000 -0.221 0.000 1.412 226 I HN 0.649 nan 8.210 nan 0.000 0.531 227 R N 3.142 123.639 120.500 -0.005 0.000 2.694 227 R HA 0.136 4.474 4.340 -0.003 0.000 0.268 227 R C -0.436 175.897 176.300 0.054 0.000 1.061 227 R CA -0.643 55.469 56.100 0.021 0.000 1.133 227 R CB 0.372 30.675 30.300 0.005 0.000 1.020 227 R HN 0.374 nan 8.270 nan 0.000 0.475 228 D N 1.408 121.854 120.400 0.077 0.000 2.597 228 D HA 0.037 4.675 4.640 -0.003 0.000 0.228 228 D C -1.058 175.227 176.300 -0.026 0.000 1.120 228 D CA 0.708 54.796 54.000 0.146 0.000 1.083 228 D CB -0.387 40.501 40.800 0.148 0.000 1.116 228 D HN 0.520 nan 8.370 nan 0.000 0.487 229 D N -0.020 120.326 120.400 -0.091 0.000 2.970 229 D HA 0.222 4.860 4.640 -0.003 0.000 0.230 229 D C -1.932 174.189 176.300 -0.298 0.000 1.276 229 D CA -1.560 52.276 54.000 -0.273 0.000 0.910 229 D CB 2.020 42.761 40.800 -0.098 0.000 1.590 229 D HN -0.170 nan 8.370 nan 0.000 0.551 230 P HA -0.242 nan 4.420 nan 0.000 0.216 230 P C 0.952 178.112 177.300 -0.232 0.000 1.154 230 P CA 1.399 64.290 63.100 -0.348 0.000 0.865 230 P CB 0.026 31.440 31.700 -0.478 0.000 0.789 231 H N -0.606 118.426 119.070 -0.062 0.000 2.395 231 H HA 0.095 4.649 4.556 -0.003 0.000 0.299 231 H C 2.080 177.393 175.328 -0.025 0.000 1.070 231 H CA 1.478 57.506 56.048 -0.033 0.000 1.356 231 H CB -0.714 29.021 29.762 -0.046 0.000 1.401 231 H HN 0.117 nan 8.280 nan 0.000 0.524 232 A N 1.418 124.276 122.820 0.063 0.000 1.898 232 A HA -0.076 4.242 4.320 -0.003 0.000 0.216 232 A C 2.626 180.191 177.584 -0.033 0.000 1.181 232 A CA 0.716 52.756 52.037 0.006 0.000 0.620 232 A CB -0.776 18.217 19.000 -0.013 0.000 0.819 232 A HN 0.283 nan 8.150 nan 0.000 0.442 233 L N -0.991 120.241 121.223 0.015 0.000 1.994 233 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 233 L C 2.852 179.779 176.870 0.096 0.000 1.071 233 L CA 1.672 56.529 54.840 0.029 0.000 0.745 233 L CB -0.437 41.757 42.059 0.225 0.000 0.892 233 L HN 0.414 nan 8.230 nan 0.000 0.431 234 R N -0.613 119.957 120.500 0.116 0.000 2.096 234 R HA -0.225 4.113 4.340 -0.003 0.000 0.240 234 R C 2.258 178.619 176.300 0.101 0.000 1.139 234 R CA 1.738 57.912 56.100 0.123 0.000 0.952 234 R CB -0.408 29.930 30.300 0.064 0.000 0.854 234 R HN 0.477 nan 8.270 nan 0.000 0.436 235 A N 0.656 123.503 122.820 0.044 0.000 1.898 235 A HA -0.097 4.221 4.320 -0.003 0.000 0.216 235 A C 2.326 179.890 177.584 -0.033 0.000 1.181 235 A CA 1.559 53.604 52.037 0.013 0.000 0.620 235 A CB -0.697 18.301 19.000 -0.003 0.000 0.819 235 A HN 0.441 nan 8.150 nan 0.000 0.442 236 A N -0.749 121.986 122.820 -0.143 0.000 1.873 236 A HA -0.150 4.168 4.320 -0.003 0.000 0.218 236 A C 2.023 179.483 177.584 -0.206 0.000 1.193 236 A CA 1.756 53.586 52.037 -0.346 0.000 0.629 236 A CB -0.964 17.521 19.000 -0.858 0.000 0.826 236 A HN 0.505 nan 8.150 nan 0.000 0.447 237 F N -0.136 119.770 119.950 -0.073 0.000 2.095 237 F HA -0.188 4.337 4.527 -0.004 0.000 0.298 237 F C 2.225 178.039 175.800 0.024 0.000 1.104 237 F CA 1.669 59.700 58.000 0.052 0.000 1.232 237 F CB -0.347 38.655 39.000 0.003 0.000 0.987 237 F HN 0.141 nan 8.300 nan 0.000 0.475 238 I N -0.124 120.552 120.570 0.177 0.000 2.208 238 I HA -0.319 3.849 4.170 -0.003 0.000 0.245 238 I C 2.455 178.613 176.117 0.068 0.000 1.097 238 I CA 1.802 63.158 61.300 0.094 0.000 1.363 238 I CB -0.540 37.492 38.000 0.054 0.000 1.051 238 I HN 0.211 nan 8.210 nan 0.000 0.413 239 E N 1.293 121.520 120.200 0.045 0.000 2.047 239 E HA -0.227 4.121 4.350 -0.003 0.000 0.191 239 E C 2.285 178.920 176.600 0.057 0.000 0.987 239 E CA 1.271 57.689 56.400 0.031 0.000 0.799 239 E CB -0.054 29.647 29.700 0.002 0.000 0.752 239 E HN 0.450 nan 8.360 nan 0.000 0.449 240 A N 1.401 124.275 122.820 0.090 0.000 1.841 240 A HA -0.299 4.019 4.320 -0.003 0.000 0.216 240 A C 2.011 179.665 177.584 0.117 0.000 1.199 240 A CA 2.211 54.328 52.037 0.133 0.000 0.621 240 A CB -1.206 17.931 19.000 0.229 0.000 0.835 240 A HN 0.523 nan 8.150 nan 0.000 0.445 241 D N -0.277 120.207 120.400 0.140 0.000 2.228 241 D HA -0.164 4.474 4.640 -0.003 0.000 0.203 241 D C 1.856 178.183 176.300 0.046 0.000 0.988 241 D CA 1.852 55.909 54.000 0.094 0.000 0.864 241 D CB -0.050 40.804 40.800 0.090 0.000 0.928 241 D HN 0.489 nan 8.370 nan 0.000 0.469 242 S N -1.729 113.998 115.700 0.044 0.000 2.631 242 S HA 0.052 4.520 4.470 -0.003 0.000 0.217 242 S C 1.496 176.111 174.600 0.025 0.000 0.958 242 S CA 0.059 58.273 58.200 0.024 0.000 0.920 242 S CB 0.309 63.521 63.200 0.021 0.000 0.776 242 S HN 0.380 nan 8.310 nan 0.000 0.517 243 Q N -0.582 119.239 119.800 0.035 0.000 2.215 243 Q HA 0.549 4.887 4.340 -0.003 0.000 0.257 243 Q C 0.257 176.278 176.000 0.036 0.000 0.792 243 Q CA 0.343 56.166 55.803 0.032 0.000 0.958 243 Q CB 1.263 30.023 28.738 0.036 0.000 1.158 243 Q HN 0.630 nan 8.270 nan 0.000 0.490 244 A N -0.335 122.512 122.820 0.046 0.000 2.387 244 A HA 0.452 4.770 4.320 -0.003 0.000 0.303 244 A C -0.551 177.066 177.584 0.056 0.000 1.145 244 A CA -0.494 51.574 52.037 0.052 0.000 0.801 244 A CB 1.074 20.112 19.000 0.063 0.000 1.342 244 A HN 0.184 nan 8.150 nan 0.000 0.440 245 D N -0.699 119.746 120.400 0.075 0.000 2.327 245 D HA 0.185 4.823 4.640 -0.003 0.000 0.205 245 D C -0.140 176.261 176.300 0.168 0.000 0.989 245 D CA 1.242 55.304 54.000 0.104 0.000 0.873 245 D CB 0.665 41.538 40.800 0.122 0.000 0.955 245 D HN 0.174 nan 8.370 nan 0.000 0.515 246 V N 1.081 121.086 119.914 0.151 0.000 2.808 246 V HA 0.286 4.404 4.120 -0.003 0.000 0.308 246 V C -0.459 175.712 176.094 0.128 0.000 1.099 246 V CA -0.857 61.553 62.300 0.183 0.000 0.920 246 V CB 3.062 34.992 31.823 0.178 0.000 1.014 246 V HN -0.298 nan 8.190 nan 0.000 0.425 247 V N 5.704 125.711 119.914 0.155 0.000 2.448 247 V HA 0.574 4.692 4.120 -0.003 0.000 0.295 247 V C -0.463 175.660 176.094 0.049 0.000 1.025 247 V CA -0.358 62.022 62.300 0.134 0.000 0.859 247 V CB 1.791 33.782 31.823 0.280 0.000 0.988 247 V HN 0.704 nan 8.190 nan 0.000 0.431 248 I N 3.574 124.074 120.570 -0.117 0.000 2.418 248 I HA 0.359 4.527 4.170 -0.003 0.000 0.287 248 I C 0.198 176.084 176.117 -0.384 0.000 1.008 248 I CA -0.271 60.895 61.300 -0.223 0.000 1.104 248 I CB 2.095 40.045 38.000 -0.084 0.000 1.264 248 I HN 0.585 nan 8.210 nan 0.000 0.438 249 S N 3.630 119.128 115.700 -0.336 0.000 2.416 249 S HA 0.144 4.612 4.470 -0.003 0.000 0.287 249 S C 1.138 175.662 174.600 -0.126 0.000 1.139 249 S CA -0.470 57.553 58.200 -0.295 0.000 1.058 249 S CB 0.625 63.884 63.200 0.099 0.000 0.967 249 S HN 0.736 nan 8.310 nan 0.000 0.495 250 S N 3.488 119.127 115.700 -0.102 0.000 2.562 250 S HA 0.430 4.898 4.470 -0.003 0.000 0.221 250 S C 0.875 175.495 174.600 0.033 0.000 0.975 250 S CA 0.073 58.260 58.200 -0.022 0.000 0.918 250 S CB -0.206 62.975 63.200 -0.031 0.000 0.772 250 S HN 1.282 nan 8.310 nan 0.000 0.531 251 G N -1.891 106.944 108.800 0.059 0.000 2.405 251 G HA2 0.534 4.492 3.960 -0.003 0.000 0.303 251 G HA3 0.534 4.492 3.960 -0.003 0.000 0.303 251 G C 0.186 175.155 174.900 0.116 0.000 1.644 251 G CA -0.196 44.956 45.100 0.088 0.000 0.899 251 G HN 1.148 nan 8.290 nan 0.000 0.667 252 G N -0.824 108.042 108.800 0.110 0.000 2.611 252 G HA2 -0.073 3.885 3.960 -0.003 0.000 0.208 252 G HA3 -0.073 3.885 3.960 -0.003 0.000 0.208 252 G C 0.693 175.651 174.900 0.097 0.000 1.201 252 G CA 0.582 45.743 45.100 0.101 0.000 0.739 252 G HN 1.853 nan 8.290 nan 0.000 0.528 253 V N 2.711 122.725 119.914 0.167 0.000 2.763 253 V HA 0.445 4.563 4.120 -0.003 0.000 0.306 253 V C 1.496 177.693 176.094 0.171 0.000 1.059 253 V CA 0.685 63.098 62.300 0.189 0.000 1.138 253 V CB 1.377 33.420 31.823 0.365 0.000 0.940 253 V HN 1.077 nan 8.190 nan 0.000 0.489 254 S N 3.471 119.240 115.700 0.115 0.000 2.566 254 S HA 0.146 4.614 4.470 -0.003 0.000 0.280 254 S C 0.513 175.293 174.600 0.300 0.000 1.343 254 S CA 0.037 58.310 58.200 0.122 0.000 1.036 254 S CB 0.965 64.165 63.200 -0.000 0.000 0.866 254 S HN 1.049 nan 8.310 nan 0.000 0.526 255 V N 1.408 121.484 119.914 0.270 0.000 3.166 255 V HA 0.676 4.794 4.120 -0.003 0.000 0.332 255 V C 1.092 177.444 176.094 0.430 0.000 1.434 255 V CA 0.183 62.729 62.300 0.409 0.000 1.121 255 V CB -0.432 31.545 31.823 0.256 0.000 1.062 255 V HN 1.119 nan 8.190 nan 0.000 0.489 256 G N 0.156 108.992 108.800 0.061 0.000 3.819 256 G HA2 -0.059 3.899 3.960 -0.003 0.000 0.210 256 G HA3 -0.059 3.899 3.960 -0.003 0.000 0.210 256 G C -0.096 174.666 174.900 -0.230 0.000 1.018 256 G CA -0.314 44.671 45.100 -0.191 0.000 0.882 256 G HN 0.379 nan 8.290 nan 0.000 0.377 257 E N 1.628 121.766 120.200 -0.104 0.000 2.384 257 E HA 0.594 4.942 4.350 -0.003 0.000 0.266 257 E C 0.722 177.245 176.600 -0.129 0.000 1.012 257 E CA 0.709 57.056 56.400 -0.087 0.000 0.901 257 E CB 1.227 30.909 29.700 -0.031 0.000 0.967 257 E HN 0.669 nan 8.360 nan 0.000 0.435 258 A N 4.294 127.047 122.820 -0.112 0.000 2.462 258 A HA 0.430 4.748 4.320 -0.003 0.000 0.243 258 A C -0.287 177.253 177.584 -0.074 0.000 1.076 258 A CA 0.273 52.246 52.037 -0.106 0.000 0.773 258 A CB 0.007 18.963 19.000 -0.074 0.000 1.010 258 A HN 0.715 nan 8.150 nan 0.000 0.493 259 D N -0.238 120.117 120.400 -0.074 0.000 3.036 259 D HA -0.058 4.580 4.640 -0.003 0.000 0.295 259 D C 0.052 176.322 176.300 -0.049 0.000 1.180 259 D CA 0.065 54.037 54.000 -0.047 0.000 0.726 259 D CB -0.643 40.107 40.800 -0.083 0.000 1.270 259 D HN 0.630 nan 8.370 nan 0.000 0.445 260 Y N -0.406 119.883 120.300 -0.018 0.000 2.241 260 Y HA -0.140 4.408 4.550 -0.003 0.000 0.286 260 Y C 2.160 178.052 175.900 -0.013 0.000 1.166 260 Y CA 2.648 60.733 58.100 -0.026 0.000 1.203 260 Y CB -1.468 36.973 38.460 -0.032 0.000 0.977 260 Y HN 0.546 nan 8.280 nan 0.000 0.529 261 T N -1.725 112.449 114.554 -0.634 0.000 2.821 261 T HA -0.176 4.172 4.350 -0.003 0.000 0.267 261 T C 1.821 176.450 174.700 -0.118 0.000 1.046 261 T CA 1.467 63.346 62.100 -0.369 0.000 1.139 261 T CB -0.455 68.174 68.868 -0.398 0.000 0.871 261 T HN 0.471 nan 8.240 nan 0.000 0.454 262 K N 0.872 121.199 120.400 -0.123 0.000 2.026 262 K HA -0.138 4.180 4.320 -0.003 0.000 0.208 262 K C 2.664 179.227 176.600 -0.062 0.000 1.048 262 K CA 1.891 58.127 56.287 -0.086 0.000 0.929 262 K CB -0.661 31.728 32.500 -0.185 0.000 0.713 262 K HN 0.500 nan 8.250 nan 0.000 0.439 263 T N -0.449 114.072 114.554 -0.055 0.000 2.867 263 T HA -0.087 4.261 4.350 -0.003 0.000 0.268 263 T C 1.811 176.482 174.700 -0.050 0.000 1.057 263 T CA 1.242 63.319 62.100 -0.039 0.000 1.136 263 T CB -0.218 68.642 68.868 -0.014 0.000 0.874 263 T HN 0.254 nan 8.240 nan 0.000 0.466 264 I N 0.110 120.654 120.570 -0.042 0.000 2.439 264 I HA 0.043 4.211 4.170 -0.003 0.000 0.251 264 I C 2.463 178.438 176.117 -0.237 0.000 1.139 264 I CA 0.656 61.906 61.300 -0.082 0.000 1.438 264 I CB -0.187 37.821 38.000 0.014 0.000 1.085 264 I HN 0.272 nan 8.210 nan 0.000 0.427 265 L N 0.269 121.347 121.223 -0.242 0.000 1.988 265 L HA -0.214 4.124 4.340 -0.003 0.000 0.207 265 L C 2.461 179.178 176.870 -0.256 0.000 1.071 265 L CA 1.605 56.212 54.840 -0.388 0.000 0.744 265 L CB -0.355 41.597 42.059 -0.178 0.000 0.893 265 L HN 0.214 nan 8.230 nan 0.000 0.433 266 E N -0.471 119.673 120.200 -0.093 0.000 2.209 266 E HA -0.293 4.055 4.350 -0.003 0.000 0.196 266 E C 1.833 178.378 176.600 -0.093 0.000 0.993 266 E CA 1.498 57.867 56.400 -0.051 0.000 0.819 266 E CB 0.050 29.747 29.700 -0.005 0.000 0.745 266 E HN 0.590 nan 8.360 nan 0.000 0.477 267 E N 0.370 120.499 120.200 -0.119 0.000 2.340 267 E HA -0.062 4.286 4.350 -0.003 0.000 0.194 267 E C 1.748 178.264 176.600 -0.141 0.000 0.996 267 E CA 0.236 56.572 56.400 -0.107 0.000 0.869 267 E CB 0.100 29.751 29.700 -0.082 0.000 0.835 267 E HN 0.219 nan 8.360 nan 0.000 0.493 268 L N 0.615 121.705 121.223 -0.221 0.000 2.607 268 L HA 0.383 4.721 4.340 -0.003 0.000 0.228 268 L C 0.783 177.497 176.870 -0.261 0.000 1.123 268 L CA 0.263 54.952 54.840 -0.252 0.000 0.890 268 L CB 0.704 42.539 42.059 -0.372 0.000 1.103 268 L HN 0.263 nan 8.230 nan 0.000 0.468 269 G N -0.954 107.698 108.800 -0.246 0.000 2.441 269 G HA2 0.190 4.148 3.960 -0.003 0.000 0.294 269 G HA3 0.190 4.148 3.960 -0.003 0.000 0.294 269 G C -1.382 173.412 174.900 -0.177 0.000 1.393 269 G CA -0.577 44.390 45.100 -0.222 0.000 0.796 269 G HN -0.188 nan 8.290 nan 0.000 0.494 270 E N 1.123 121.228 120.200 -0.158 0.000 1.998 270 E HA 0.264 4.612 4.350 -0.003 0.000 0.257 270 E C -0.201 176.306 176.600 -0.154 0.000 1.038 270 E CA -0.234 56.098 56.400 -0.113 0.000 0.869 270 E CB 0.898 30.552 29.700 -0.076 0.000 1.135 270 E HN 0.232 nan 8.360 nan 0.000 0.430 271 I N 1.961 122.424 120.570 -0.179 0.000 2.354 271 I HA 0.357 4.525 4.170 -0.003 0.000 0.292 271 I C 0.524 176.421 176.117 -0.368 0.000 0.989 271 I CA -0.790 60.321 61.300 -0.316 0.000 1.188 271 I CB 1.175 38.943 38.000 -0.385 0.000 1.342 271 I HN 0.201 nan 8.210 nan 0.000 0.457 272 A N 6.574 129.105 122.820 -0.481 0.000 2.295 272 A HA 0.808 5.126 4.320 -0.003 0.000 0.318 272 A C -1.115 175.967 177.584 -0.837 0.000 1.134 272 A CA -0.297 51.493 52.037 -0.413 0.000 0.827 272 A CB 0.551 19.389 19.000 -0.269 0.000 1.136 272 A HN 0.489 nan 8.150 nan 0.000 0.493 273 F N 1.467 121.296 119.950 -0.202 0.000 2.500 273 F HA 0.425 4.950 4.527 -0.004 0.000 0.349 273 F C -0.629 175.229 175.800 0.097 0.000 1.127 273 F CA -0.340 57.589 58.000 -0.119 0.000 0.998 273 F CB 1.217 40.209 39.000 -0.013 0.000 1.237 273 F HN 0.516 nan 8.300 nan 0.000 0.439 274 W N 2.176 123.605 121.300 0.215 0.000 2.509 274 W HA 0.583 5.242 4.660 -0.003 0.000 0.351 274 W C -0.483 176.159 176.519 0.205 0.000 1.107 274 W CA -1.606 55.860 57.345 0.201 0.000 1.264 274 W CB 1.207 30.789 29.460 0.204 0.000 1.312 274 W HN 0.228 nan 8.180 nan 0.000 0.608 275 K N 2.490 123.133 120.400 0.404 0.000 2.575 275 K HA 0.309 4.627 4.320 -0.003 0.000 0.236 275 K C -0.685 176.030 176.600 0.192 0.000 0.976 275 K CA -0.743 55.700 56.287 0.260 0.000 0.985 275 K CB 1.028 33.643 32.500 0.191 0.000 1.198 275 K HN -0.039 nan 8.250 nan 0.000 0.464 276 L N 1.586 122.921 121.223 0.186 0.000 2.418 276 L HA 0.320 4.658 4.340 -0.003 0.000 0.265 276 L C 0.925 177.841 176.870 0.077 0.000 1.143 276 L CA -0.165 54.736 54.840 0.102 0.000 0.809 276 L CB 0.719 42.829 42.059 0.085 0.000 1.124 276 L HN 0.657 nan 8.230 nan 0.000 0.456 277 A N 4.628 127.474 122.820 0.045 0.000 3.135 277 A HA 0.456 4.774 4.320 -0.003 0.000 0.253 277 A C 0.225 177.842 177.584 0.055 0.000 1.638 277 A CA -0.231 51.831 52.037 0.042 0.000 1.295 277 A CB -1.176 17.835 19.000 0.019 0.000 1.106 277 A HN 0.607 nan 8.150 nan 0.000 0.648 278 I N -3.261 117.357 120.570 0.079 0.000 3.108 278 I HA 0.836 5.004 4.170 -0.003 0.000 0.312 278 I C -0.680 175.506 176.117 0.116 0.000 1.095 278 I CA -1.405 59.965 61.300 0.117 0.000 1.000 278 I CB 2.404 40.484 38.000 0.134 0.000 1.229 278 I HN 0.091 nan 8.210 nan 0.000 0.454 279 K N 3.483 123.974 120.400 0.151 0.000 2.571 279 K HA 0.519 4.837 4.320 -0.003 0.000 0.252 279 K C -3.028 173.670 176.600 0.163 0.000 0.956 279 K CA -1.278 55.086 56.287 0.128 0.000 0.822 279 K CB 2.595 35.150 32.500 0.092 0.000 1.286 279 K HN 0.423 nan 8.250 nan 0.000 0.439 280 P HA 0.288 nan 4.420 nan 0.000 0.275 280 P C 0.319 177.689 177.300 0.116 0.000 1.270 280 P CA 0.692 63.869 63.100 0.129 0.000 0.791 280 P CB 0.545 32.333 31.700 0.147 0.000 1.089 281 G N -0.328 108.545 108.800 0.122 0.000 2.568 281 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.222 281 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.222 281 G C 0.052 175.024 174.900 0.120 0.000 1.321 281 G CA 0.779 45.951 45.100 0.120 0.000 0.893 281 G HN 0.922 nan 8.290 nan 0.000 0.569 282 K N -2.463 118.017 120.400 0.132 0.000 1.933 282 K HA -0.028 4.290 4.320 -0.003 0.000 0.172 282 K C -2.510 174.213 176.600 0.206 0.000 2.647 282 K CA 0.799 57.174 56.287 0.146 0.000 1.234 282 K CB -0.871 31.707 32.500 0.129 0.000 2.909 282 K HN 0.756 nan 8.250 nan 0.000 0.322 283 P HA 0.271 nan 4.420 nan 0.000 0.275 283 P C -1.057 176.467 177.300 0.373 0.000 1.228 283 P CA 0.450 63.713 63.100 0.271 0.000 0.786 283 P CB 0.494 32.324 31.700 0.217 0.000 0.927 284 F N 1.161 121.212 119.950 0.169 0.000 2.688 284 F HA 0.503 5.028 4.527 -0.003 0.000 0.332 284 F C -1.770 174.020 175.800 -0.017 0.000 1.131 284 F CA -0.658 57.400 58.000 0.096 0.000 1.113 284 F CB 0.749 39.828 39.000 0.132 0.000 1.359 284 F HN 0.476 nan 8.300 nan 0.000 0.551 285 A N 5.580 127.989 122.820 -0.685 0.000 2.312 285 A HA 0.868 5.186 4.320 -0.003 0.000 0.326 285 A C -1.861 175.043 177.584 -1.134 0.000 1.172 285 A CA -0.490 51.046 52.037 -0.835 0.000 0.821 285 A CB 0.867 19.602 19.000 -0.441 0.000 1.166 285 A HN 1.087 nan 8.150 nan 0.000 0.493 286 F N 1.031 120.296 119.950 -1.142 0.000 2.654 286 F HA 0.614 5.139 4.527 -0.003 0.000 0.314 286 F C -0.018 175.482 175.800 -0.501 0.000 1.116 286 F CA 0.677 58.163 58.000 -0.857 0.000 1.017 286 F CB 1.248 39.653 39.000 -0.993 0.000 1.285 286 F HN 1.241 nan 8.300 nan 0.000 0.448 287 G N 4.161 112.282 108.800 -1.132 0.000 2.348 287 G HA2 0.315 4.273 3.960 -0.003 0.000 0.296 287 G HA3 0.315 4.273 3.960 -0.003 0.000 0.296 287 G C -2.272 172.394 174.900 -0.390 0.000 1.258 287 G CA -0.993 43.702 45.100 -0.674 0.000 0.868 287 G HN 0.547 nan 8.290 nan 0.000 0.488 288 K N 0.116 120.366 120.400 -0.251 0.000 2.156 288 K HA 0.734 5.052 4.320 -0.003 0.000 0.254 288 K C -0.408 176.027 176.600 -0.275 0.000 0.950 288 K CA -0.482 55.601 56.287 -0.340 0.000 0.849 288 K CB 1.657 33.916 32.500 -0.402 0.000 1.100 288 K HN 0.403 nan 8.250 nan 0.000 0.434 289 L N 0.298 121.353 121.223 -0.281 0.000 2.391 289 L HA 0.291 4.629 4.340 -0.003 0.000 0.266 289 L C 1.746 178.490 176.870 -0.209 0.000 1.035 289 L CA -0.460 54.257 54.840 -0.205 0.000 0.877 289 L CB 1.203 43.196 42.059 -0.109 0.000 1.504 289 L HN 0.630 nan 8.230 nan 0.000 0.503 290 S N 0.048 115.660 115.700 -0.148 0.000 2.368 290 S HA -0.077 4.391 4.470 -0.003 0.000 0.225 290 S C 0.808 175.321 174.600 -0.145 0.000 1.030 290 S CA 1.302 59.425 58.200 -0.129 0.000 0.999 290 S CB -0.166 62.984 63.200 -0.084 0.000 0.844 290 S HN 0.591 nan 8.310 nan 0.000 0.459 291 N N 0.624 119.243 118.700 -0.135 0.000 2.305 291 N HA 0.181 4.919 4.740 -0.003 0.000 0.248 291 N C -0.841 174.569 175.510 -0.166 0.000 1.290 291 N CA 0.140 53.107 53.050 -0.138 0.000 0.873 291 N CB 1.199 39.643 38.487 -0.073 0.000 1.261 291 N HN 0.396 nan 8.380 nan 0.000 0.504 292 S N -0.976 114.580 115.700 -0.240 0.000 2.587 292 S HA 0.511 4.979 4.470 -0.003 0.000 0.269 292 S C -1.692 172.709 174.600 -0.331 0.000 1.154 292 S CA -0.976 57.087 58.200 -0.229 0.000 0.824 292 S CB 1.185 64.370 63.200 -0.025 0.000 1.118 292 S HN 0.193 nan 8.310 nan 0.000 0.462 293 W N 0.997 122.292 121.300 -0.008 0.000 2.375 293 W HA 0.695 5.353 4.660 -0.003 0.000 0.336 293 W C -0.333 176.178 176.519 -0.014 0.000 1.160 293 W CA -0.457 56.840 57.345 -0.079 0.000 1.266 293 W CB 0.848 30.279 29.460 -0.047 0.000 1.195 293 W HN 0.621 nan 8.180 nan 0.000 0.599 294 F N 2.571 122.500 119.950 -0.034 0.000 2.495 294 F HA 0.651 5.176 4.527 -0.003 0.000 0.327 294 F C -0.974 174.767 175.800 -0.098 0.000 1.103 294 F CA -1.537 56.428 58.000 -0.058 0.000 0.949 294 F CB 0.881 39.823 39.000 -0.096 0.000 1.142 294 F HN 0.200 nan 8.300 nan 0.000 0.457 295 C N 4.343 123.010 119.300 -1.054 0.000 2.381 295 C HA 0.739 5.197 4.460 -0.003 0.000 0.328 295 C C 0.316 174.582 174.990 -1.206 0.000 1.190 295 C CA -0.892 57.621 59.018 -0.842 0.000 1.369 295 C CB 0.490 28.144 27.740 -0.144 0.000 2.029 295 C HN 1.082 nan 8.230 nan 0.000 0.448 296 G N 3.978 112.087 108.800 -1.151 0.000 2.384 296 G HA2 0.628 4.586 3.960 -0.003 0.000 0.316 296 G HA3 0.628 4.586 3.960 -0.003 0.000 0.316 296 G C -0.671 174.161 174.900 -0.114 0.000 1.160 296 G CA -0.262 44.529 45.100 -0.515 0.000 0.936 296 G HN 0.692 nan 8.290 nan 0.000 0.455 297 L N 3.174 124.421 121.223 0.041 0.000 2.399 297 L HA 0.433 4.771 4.340 -0.003 0.000 0.265 297 L C -1.907 175.062 176.870 0.165 0.000 1.089 297 L CA -2.127 52.820 54.840 0.179 0.000 0.802 297 L CB 1.709 43.865 42.059 0.162 0.000 1.180 297 L HN 0.279 nan 8.230 nan 0.000 0.454 298 P HA 0.039 nan 4.420 nan 0.000 0.270 298 P C 0.554 177.934 177.300 0.134 0.000 1.223 298 P CA -0.183 63.014 63.100 0.163 0.000 0.785 298 P CB 0.584 32.385 31.700 0.167 0.000 0.923 299 G N 0.526 109.397 108.800 0.118 0.000 2.650 299 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.214 299 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.214 299 G C 0.620 175.580 174.900 0.101 0.000 1.136 299 G CA 0.176 45.336 45.100 0.099 0.000 0.789 299 G HN 0.513 nan 8.290 nan 0.000 0.536 300 N N 0.726 119.498 118.700 0.120 0.000 2.470 300 N HA 0.254 4.992 4.740 -0.003 0.000 0.268 300 N C -1.260 174.348 175.510 0.163 0.000 1.136 300 N CA -1.465 51.667 53.050 0.136 0.000 0.961 300 N CB 1.730 40.306 38.487 0.148 0.000 1.067 300 N HN -0.174 nan 8.380 nan 0.000 0.468 301 P HA -0.238 nan 4.420 nan 0.000 0.215 301 P C 1.061 178.607 177.300 0.409 0.000 1.163 301 P CA 1.059 64.288 63.100 0.214 0.000 0.894 301 P CB 0.209 32.009 31.700 0.166 0.000 0.791 302 V N -0.769 119.404 119.914 0.432 0.000 2.427 302 V HA -0.181 3.937 4.120 -0.003 0.000 0.248 302 V C 2.420 178.717 176.094 0.339 0.000 1.051 302 V CA 2.156 64.734 62.300 0.462 0.000 1.048 302 V CB -1.372 30.651 31.823 0.333 0.000 0.666 302 V HN 0.150 nan 8.190 nan 0.000 0.456 303 S N 0.259 116.109 115.700 0.249 0.000 2.356 303 S HA -0.159 4.309 4.470 -0.003 0.000 0.223 303 S C 2.258 176.967 174.600 0.181 0.000 1.032 303 S CA 1.512 59.827 58.200 0.191 0.000 1.005 303 S CB -0.473 62.827 63.200 0.167 0.000 0.867 303 S HN 0.645 nan 8.310 nan 0.000 0.449 304 A N 1.313 124.247 122.820 0.189 0.000 1.858 304 A HA -0.125 4.193 4.320 -0.003 0.000 0.216 304 A C 2.351 180.056 177.584 0.202 0.000 1.190 304 A CA 2.184 54.327 52.037 0.176 0.000 0.617 304 A CB -1.541 17.541 19.000 0.137 0.000 0.827 304 A HN 0.482 nan 8.150 nan 0.000 0.443 305 T N 0.575 115.253 114.554 0.207 0.000 2.635 305 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 305 T C 1.865 176.721 174.700 0.260 0.000 1.040 305 T CA 1.443 63.659 62.100 0.192 0.000 1.156 305 T CB -0.435 68.454 68.868 0.035 0.000 0.863 305 T HN 0.294 nan 8.240 nan 0.000 0.430 306 L N 1.073 122.437 121.223 0.236 0.000 2.012 306 L HA -0.153 4.185 4.340 -0.003 0.000 0.210 306 L C 2.436 179.317 176.870 0.018 0.000 1.073 306 L CA 2.115 57.037 54.840 0.136 0.000 0.748 306 L CB -1.572 40.537 42.059 0.084 0.000 0.891 306 L HN 0.339 nan 8.230 nan 0.000 0.431 307 T N 0.050 114.620 114.554 0.027 0.000 2.684 307 T HA -0.264 4.084 4.350 -0.003 0.000 0.267 307 T C 1.625 176.278 174.700 -0.078 0.000 1.036 307 T CA 1.820 63.864 62.100 -0.093 0.000 1.148 307 T CB -0.662 68.182 68.868 -0.040 0.000 0.863 307 T HN 0.419 nan 8.240 nan 0.000 0.436 308 F N 0.848 120.780 119.950 -0.030 0.000 2.091 308 F HA -0.211 4.314 4.527 -0.003 0.000 0.299 308 F C 2.216 178.000 175.800 -0.027 0.000 1.103 308 F CA 1.271 59.262 58.000 -0.016 0.000 1.228 308 F CB -0.596 38.419 39.000 0.025 0.000 0.984 308 F HN 0.163 nan 8.300 nan 0.000 0.477 309 Y N 0.768 121.072 120.300 0.007 0.000 2.165 309 Y HA -0.253 4.295 4.550 -0.003 0.000 0.286 309 Y C 2.360 178.118 175.900 -0.236 0.000 1.155 309 Y CA 2.091 60.150 58.100 -0.069 0.000 1.164 309 Y CB -0.253 38.290 38.460 0.138 0.000 0.978 309 Y HN 0.148 nan 8.280 nan 0.000 0.513 310 Q N -0.835 118.892 119.800 -0.122 0.000 2.376 310 Q HA 0.086 4.424 4.340 -0.003 0.000 0.206 310 Q C 1.989 177.801 176.000 -0.315 0.000 0.921 310 Q CA 0.755 56.406 55.803 -0.253 0.000 0.911 310 Q CB 0.607 29.091 28.738 -0.422 0.000 1.032 310 Q HN 0.524 nan 8.270 nan 0.000 0.510 311 L N -1.161 119.834 121.223 -0.380 0.000 2.453 311 L HA 0.059 4.398 4.340 -0.003 0.000 0.190 311 L C 2.118 178.761 176.870 -0.378 0.000 1.093 311 L CA 0.299 54.892 54.840 -0.413 0.000 0.834 311 L CB -0.141 41.532 42.059 -0.643 0.000 1.090 311 L HN -0.111 nan 8.230 nan 0.000 0.489 312 V N -0.137 119.511 119.914 -0.443 0.000 2.379 312 V HA -0.262 3.856 4.120 -0.003 0.000 0.245 312 V C 2.318 178.067 176.094 -0.575 0.000 1.044 312 V CA 1.601 63.629 62.300 -0.454 0.000 1.036 312 V CB -0.525 30.994 31.823 -0.508 0.000 0.664 312 V HN 0.463 nan 8.190 nan 0.000 0.453 313 Q N 0.140 119.456 119.800 -0.806 0.000 2.045 313 Q HA -0.225 4.113 4.340 -0.003 0.000 0.206 313 Q C -0.025 175.754 176.000 -0.369 0.000 0.991 313 Q CA 2.716 58.152 55.803 -0.612 0.000 0.851 313 Q CB -0.995 27.363 28.738 -0.634 0.000 0.911 313 Q HN 0.509 nan 8.270 nan 0.000 0.418 314 P HA -0.165 nan 4.420 nan 0.000 0.216 314 P C 1.249 178.428 177.300 -0.201 0.000 1.150 314 P CA 1.036 63.995 63.100 -0.235 0.000 0.837 314 P CB -0.124 31.444 31.700 -0.221 0.000 0.786 315 L N -1.456 119.636 121.223 -0.219 0.000 2.217 315 L HA -0.064 4.274 4.340 -0.003 0.000 0.211 315 L C 2.043 178.828 176.870 -0.142 0.000 1.107 315 L CA 1.280 56.008 54.840 -0.185 0.000 0.783 315 L CB -0.556 41.397 42.059 -0.177 0.000 0.919 315 L HN -0.127 nan 8.230 nan 0.000 0.442 316 L N -0.541 120.597 121.223 -0.142 0.000 2.217 316 L HA -0.066 4.272 4.340 -0.003 0.000 0.211 316 L C 2.748 179.573 176.870 -0.076 0.000 1.107 316 L CA 0.765 55.553 54.840 -0.086 0.000 0.783 316 L CB -0.753 41.256 42.059 -0.084 0.000 0.919 316 L HN 0.337 nan 8.230 nan 0.000 0.442 317 A N 0.732 123.489 122.820 -0.105 0.000 1.873 317 A HA -0.246 4.072 4.320 -0.003 0.000 0.215 317 A C 2.340 179.882 177.584 -0.069 0.000 1.186 317 A CA 1.984 53.968 52.037 -0.087 0.000 0.616 317 A CB -0.381 18.556 19.000 -0.105 0.000 0.823 317 A HN 0.297 nan 8.150 nan 0.000 0.442 318 K N -0.346 120.006 120.400 -0.080 0.000 2.057 318 K HA -0.031 4.287 4.320 -0.003 0.000 0.207 318 K C 1.811 178.387 176.600 -0.040 0.000 1.049 318 K CA 1.463 57.712 56.287 -0.065 0.000 0.931 318 K CB -0.446 32.002 32.500 -0.086 0.000 0.714 318 K HN 0.343 nan 8.250 nan 0.000 0.440 319 L N 1.058 122.258 121.223 -0.038 0.000 2.131 319 L HA -0.174 4.164 4.340 -0.003 0.000 0.210 319 L C 2.257 179.137 176.870 0.017 0.000 1.092 319 L CA 1.681 56.525 54.840 0.007 0.000 0.759 319 L CB -0.381 41.694 42.059 0.026 0.000 0.903 319 L HN 0.460 nan 8.230 nan 0.000 0.435 320 S N -1.278 114.419 115.700 -0.004 0.000 2.481 320 S HA 0.036 4.504 4.470 -0.003 0.000 0.231 320 S C 1.588 176.184 174.600 -0.006 0.000 0.996 320 S CA 0.719 58.916 58.200 -0.004 0.000 0.942 320 S CB 0.157 63.346 63.200 -0.018 0.000 0.768 320 S HN 0.601 nan 8.310 nan 0.000 0.520 321 G N 0.998 109.792 108.800 -0.009 0.000 2.201 321 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.212 321 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.212 321 G C -0.071 174.818 174.900 -0.019 0.000 0.994 321 G CA -0.080 45.015 45.100 -0.008 0.000 0.644 321 G HN 0.635 nan 8.290 nan 0.000 0.508 322 N N 1.906 120.588 118.700 -0.030 0.000 2.440 322 N HA 0.307 5.045 4.740 -0.003 0.000 0.265 322 N C 1.207 176.697 175.510 -0.033 0.000 1.239 322 N CA 1.108 54.136 53.050 -0.038 0.000 0.909 322 N CB 0.835 39.292 38.487 -0.050 0.000 1.066 322 N HN 0.497 nan 8.380 nan 0.000 0.474 323 T N 0.925 115.463 114.554 -0.027 0.000 3.218 323 T HA 0.638 4.986 4.350 -0.003 0.000 0.241 323 T C -0.021 174.665 174.700 -0.022 0.000 0.929 323 T CA -0.714 61.373 62.100 -0.021 0.000 0.979 323 T CB -0.326 68.536 68.868 -0.010 0.000 1.129 323 T HN 0.458 nan 8.240 nan 0.000 0.559 324 A N 0.657 123.458 122.820 -0.031 0.000 2.486 324 A HA 0.719 5.037 4.320 -0.003 0.000 0.300 324 A C -0.011 177.550 177.584 -0.038 0.000 1.048 324 A CA -0.915 51.104 52.037 -0.029 0.000 0.696 324 A CB 1.296 20.278 19.000 -0.029 0.000 1.278 324 A HN 0.367 nan 8.150 nan 0.000 0.405 325 S N 0.831 116.511 115.700 -0.034 0.000 2.544 325 S HA 0.322 4.790 4.470 -0.003 0.000 0.290 325 S C 0.968 175.539 174.600 -0.049 0.000 1.276 325 S CA 0.453 58.628 58.200 -0.042 0.000 1.075 325 S CB 0.601 63.783 63.200 -0.030 0.000 0.849 325 S HN 1.304 nan 8.310 nan 0.000 0.494 326 G N 2.368 111.125 108.800 -0.071 0.000 4.084 326 G HA2 0.470 4.428 3.960 -0.003 0.000 0.293 326 G HA3 0.470 4.428 3.960 -0.003 0.000 0.293 326 G C -0.584 174.251 174.900 -0.109 0.000 1.303 326 G CA -0.063 44.984 45.100 -0.087 0.000 1.289 326 G HN 0.473 nan 8.290 nan 0.000 0.609 327 L N 0.307 121.487 121.223 -0.071 0.000 2.472 327 L HA 0.567 4.905 4.340 -0.003 0.000 0.260 327 L C -2.271 174.614 176.870 0.025 0.000 0.963 327 L CA -1.920 52.885 54.840 -0.059 0.000 0.829 327 L CB 2.195 44.216 42.059 -0.062 0.000 1.348 327 L HN -0.031 nan 8.230 nan 0.000 0.408 328 P HA 0.393 nan 4.420 nan 0.000 0.271 328 P C -1.094 176.282 177.300 0.125 0.000 1.233 328 P CA -0.263 62.918 63.100 0.135 0.000 0.795 328 P CB 0.386 32.224 31.700 0.231 0.000 0.936 329 A N 1.354 124.239 122.820 0.108 0.000 2.256 329 A HA 0.653 4.971 4.320 -0.003 0.000 0.318 329 A C -0.012 177.634 177.584 0.103 0.000 1.103 329 A CA -0.595 51.494 52.037 0.087 0.000 0.860 329 A CB 0.808 19.843 19.000 0.058 0.000 1.182 329 A HN 0.513 nan 8.150 nan 0.000 0.501 330 R N -0.253 120.295 120.500 0.080 0.000 2.832 330 R HA 0.567 4.905 4.340 -0.003 0.000 0.271 330 R C -1.054 175.277 176.300 0.051 0.000 0.996 330 R CA -0.669 55.478 56.100 0.078 0.000 0.977 330 R CB 1.675 32.018 30.300 0.073 0.000 1.168 330 R HN 0.885 nan 8.270 nan 0.000 0.482 331 Q N 0.864 120.696 119.800 0.053 0.000 2.359 331 Q HA 0.500 4.838 4.340 -0.003 0.000 0.274 331 Q C -1.074 174.962 176.000 0.060 0.000 1.074 331 Q CA -1.167 54.662 55.803 0.043 0.000 0.810 331 Q CB 2.278 31.045 28.738 0.047 0.000 1.342 331 Q HN 0.323 nan 8.270 nan 0.000 0.427 332 R N 0.801 121.329 120.500 0.048 0.000 2.438 332 R HA 0.629 4.967 4.340 -0.003 0.000 0.287 332 R C -0.953 175.517 176.300 0.284 0.000 1.077 332 R CA 0.014 56.177 56.100 0.106 0.000 1.034 332 R CB 1.265 31.527 30.300 -0.064 0.000 0.993 332 R HN 0.524 nan 8.270 nan 0.000 0.459 333 V N 2.718 122.888 119.914 0.428 0.000 3.204 333 V HA 0.369 4.487 4.120 -0.003 0.000 0.298 333 V C -0.783 175.391 176.094 0.133 0.000 1.328 333 V CA -0.948 61.577 62.300 0.375 0.000 1.035 333 V CB 2.610 34.520 31.823 0.145 0.000 1.095 333 V HN 0.726 nan 8.190 nan 0.000 0.442 334 R N 0.809 121.159 120.500 -0.251 0.000 2.459 334 R HA 0.604 4.942 4.340 -0.003 0.000 0.281 334 R C -0.608 175.558 176.300 -0.224 0.000 1.050 334 R CA -0.371 55.454 56.100 -0.459 0.000 1.055 334 R CB 1.260 31.150 30.300 -0.683 0.000 1.045 334 R HN 0.748 nan 8.270 nan 0.000 0.495 335 T N 1.165 115.601 114.554 -0.196 0.000 2.845 335 T HA 0.275 4.623 4.350 -0.003 0.000 0.288 335 T C 0.685 175.306 174.700 -0.131 0.000 0.980 335 T CA -0.569 61.454 62.100 -0.128 0.000 1.071 335 T CB 1.733 70.543 68.868 -0.097 0.000 0.941 335 T HN 0.704 nan 8.240 nan 0.000 0.487 336 A N 2.272 125.030 122.820 -0.104 0.000 2.387 336 A HA 0.551 4.869 4.320 -0.003 0.000 0.234 336 A C 0.897 178.435 177.584 -0.076 0.000 1.253 336 A CA -0.274 51.708 52.037 -0.093 0.000 0.894 336 A CB 0.280 19.231 19.000 -0.082 0.000 0.963 336 A HN 0.592 nan 8.150 nan 0.000 0.508 337 S N -0.331 115.325 115.700 -0.074 0.000 2.570 337 S HA 0.523 4.991 4.470 -0.003 0.000 0.286 337 S C -0.490 174.074 174.600 -0.060 0.000 1.099 337 S CA -0.712 57.450 58.200 -0.062 0.000 0.913 337 S CB 1.442 64.606 63.200 -0.060 0.000 1.085 337 S HN 0.391 nan 8.310 nan 0.000 0.480 338 R N 2.198 122.666 120.500 -0.053 0.000 2.390 338 R HA 0.453 4.791 4.340 -0.003 0.000 0.291 338 R C -1.153 175.118 176.300 -0.050 0.000 1.070 338 R CA -0.128 55.943 56.100 -0.049 0.000 1.014 338 R CB -0.039 30.235 30.300 -0.043 0.000 1.007 338 R HN 0.560 nan 8.270 nan 0.000 0.466 339 L N 3.948 125.143 121.223 -0.047 0.000 2.362 339 L HA 0.500 4.838 4.340 -0.003 0.000 0.275 339 L C 0.014 176.857 176.870 -0.044 0.000 0.998 339 L CA -0.887 53.924 54.840 -0.048 0.000 0.820 339 L CB 2.046 44.079 42.059 -0.044 0.000 1.270 339 L HN 0.295 nan 8.230 nan 0.000 0.415 340 K N 2.968 123.338 120.400 -0.051 0.000 2.248 340 K HA 0.474 4.792 4.320 -0.003 0.000 0.281 340 K C -0.633 175.944 176.600 -0.038 0.000 1.054 340 K CA -0.565 55.694 56.287 -0.046 0.000 0.903 340 K CB 1.470 33.934 32.500 -0.060 0.000 1.077 340 K HN 0.326 nan 8.250 nan 0.000 0.474 341 K N 1.307 121.690 120.400 -0.029 0.000 2.464 341 K HA 0.328 4.646 4.320 -0.003 0.000 0.253 341 K C -1.406 175.184 176.600 -0.017 0.000 0.933 341 K CA -0.394 55.879 56.287 -0.023 0.000 0.801 341 K CB 2.044 34.528 32.500 -0.027 0.000 1.271 341 K HN 0.343 nan 8.250 nan 0.000 0.430 342 T N 5.622 120.170 114.554 -0.011 0.000 2.786 342 T HA 0.446 4.794 4.350 -0.003 0.000 0.283 342 T C -2.612 172.085 174.700 -0.005 0.000 0.992 342 T CA -1.454 60.643 62.100 -0.006 0.000 0.954 342 T CB 1.480 70.348 68.868 0.001 0.000 0.934 342 T HN 0.485 nan 8.240 nan 0.000 0.440 343 P HA 0.251 nan 4.420 nan 0.000 0.267 343 P C 1.103 178.402 177.300 -0.001 0.000 1.201 343 P CA 0.907 64.004 63.100 -0.006 0.000 0.775 343 P CB 0.360 32.057 31.700 -0.006 0.000 0.854 344 G N 0.823 109.622 108.800 -0.002 0.000 2.284 344 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.216 344 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.216 344 G C 0.060 174.964 174.900 0.008 0.000 1.009 344 G CA -0.410 44.693 45.100 0.004 0.000 0.625 344 G HN 0.598 nan 8.290 nan 0.000 0.501 345 R N -0.468 120.036 120.500 0.007 0.000 2.673 345 R HA 0.594 4.932 4.340 -0.003 0.000 0.281 345 R C -1.119 175.179 176.300 -0.004 0.000 0.991 345 R CA -1.006 55.103 56.100 0.014 0.000 0.896 345 R CB 2.226 32.545 30.300 0.033 0.000 1.201 345 R HN 0.245 nan 8.270 nan 0.000 0.457 346 L N 2.535 123.756 121.223 -0.004 0.000 2.385 346 L HA 0.160 4.498 4.340 -0.003 0.000 0.281 346 L C -0.523 176.315 176.870 -0.052 0.000 1.106 346 L CA 0.312 55.116 54.840 -0.059 0.000 0.856 346 L CB 0.207 42.238 42.059 -0.048 0.000 1.186 346 L HN 0.405 nan 8.230 nan 0.000 0.453 347 D N 4.622 124.960 120.400 -0.104 0.000 2.317 347 D HA 0.145 4.783 4.640 -0.003 0.000 0.234 347 D C -0.734 175.488 176.300 -0.129 0.000 1.112 347 D CA -0.032 53.939 54.000 -0.048 0.000 0.840 347 D CB 0.379 41.166 40.800 -0.023 0.000 1.078 347 D HN 0.377 nan 8.370 nan 0.000 0.486 348 F N 3.416 123.348 119.950 -0.030 0.000 2.606 348 F HA 0.162 4.687 4.527 -0.003 0.000 0.347 348 F C 1.335 177.188 175.800 0.089 0.000 1.207 348 F CA -0.475 57.497 58.000 -0.047 0.000 1.306 348 F CB 0.100 38.936 39.000 -0.274 0.000 1.657 348 F HN 0.127 nan 8.300 nan 0.000 0.606 349 Q N 0.996 120.904 119.800 0.179 0.000 2.535 349 Q HA 0.347 4.685 4.340 -0.003 0.000 0.228 349 Q C 0.017 176.132 176.000 0.191 0.000 1.062 349 Q CA -0.246 55.636 55.803 0.131 0.000 0.967 349 Q CB 0.906 29.666 28.738 0.036 0.000 1.273 349 Q HN 0.421 nan 8.270 nan 0.000 0.554 350 R N -0.687 119.831 120.500 0.030 0.000 2.589 350 R HA 0.687 5.025 4.340 -0.003 0.000 0.293 350 R C -0.378 175.841 176.300 -0.135 0.000 0.963 350 R CA -0.172 55.877 56.100 -0.085 0.000 0.905 350 R CB 1.941 32.099 30.300 -0.237 0.000 1.144 350 R HN 0.748 nan 8.270 nan 0.000 0.459 351 G N 0.100 108.771 108.800 -0.216 0.000 2.788 351 G HA2 0.536 4.494 3.960 -0.003 0.000 0.293 351 G HA3 0.536 4.494 3.960 -0.003 0.000 0.293 351 G C -1.616 173.136 174.900 -0.247 0.000 1.392 351 G CA -0.552 44.435 45.100 -0.187 0.000 0.810 351 G HN 0.333 nan 8.290 nan 0.000 0.508 352 V N 0.686 120.495 119.914 -0.175 0.000 2.407 352 V HA 0.426 4.544 4.120 -0.003 0.000 0.291 352 V C -0.676 175.340 176.094 -0.131 0.000 1.018 352 V CA -0.696 61.506 62.300 -0.163 0.000 0.842 352 V CB 1.192 32.948 31.823 -0.112 0.000 0.996 352 V HN 0.562 nan 8.190 nan 0.000 0.426 353 L N 6.298 127.438 121.223 -0.140 0.000 2.281 353 L HA 0.577 4.915 4.340 -0.003 0.000 0.285 353 L C 0.109 176.938 176.870 -0.069 0.000 1.074 353 L CA 0.621 55.403 54.840 -0.097 0.000 0.817 353 L CB 0.904 42.904 42.059 -0.099 0.000 1.168 353 L HN 0.926 nan 8.230 nan 0.000 0.434 354 Q N 3.872 123.641 119.800 -0.053 0.000 2.534 354 Q HA 0.533 4.871 4.340 -0.003 0.000 0.290 354 Q C -0.998 174.984 176.000 -0.030 0.000 0.991 354 Q CA -1.143 54.637 55.803 -0.039 0.000 0.783 354 Q CB 1.537 30.251 28.738 -0.040 0.000 1.470 354 Q HN 0.423 nan 8.270 nan 0.000 0.406 355 R N 1.672 122.159 120.500 -0.021 0.000 2.442 355 R HA 0.141 4.479 4.340 -0.003 0.000 0.291 355 R C 0.182 176.470 176.300 -0.021 0.000 1.069 355 R CA -0.024 56.066 56.100 -0.016 0.000 1.022 355 R CB 0.356 30.651 30.300 -0.009 0.000 0.976 355 R HN 0.700 nan 8.270 nan 0.000 0.443 356 N N 2.195 120.881 118.700 -0.022 0.000 2.381 356 N HA 0.047 4.785 4.740 -0.003 0.000 0.289 356 N C 0.597 176.095 175.510 -0.020 0.000 1.288 356 N CA 0.021 53.055 53.050 -0.027 0.000 0.960 356 N CB 0.037 38.503 38.487 -0.035 0.000 1.116 356 N HN 0.447 nan 8.380 nan 0.000 0.557 357 A N -1.387 121.421 122.820 -0.021 0.000 2.066 357 A HA -0.068 4.250 4.320 -0.003 0.000 0.218 357 A C 1.049 178.626 177.584 -0.010 0.000 1.157 357 A CA 1.176 53.204 52.037 -0.015 0.000 0.670 357 A CB -0.554 18.436 19.000 -0.016 0.000 0.804 357 A HN 0.642 nan 8.150 nan 0.000 0.453 358 D N -1.400 118.993 120.400 -0.010 0.000 2.349 358 D HA 0.243 4.881 4.640 -0.003 0.000 0.215 358 D C 1.457 177.757 176.300 0.001 0.000 1.016 358 D CA 1.181 55.179 54.000 -0.004 0.000 0.870 358 D CB 0.201 41.000 40.800 -0.002 0.000 0.917 358 D HN 0.539 nan 8.370 nan 0.000 0.524 359 G N 0.862 109.661 108.800 -0.001 0.000 2.175 359 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.244 359 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.244 359 G C 0.297 175.201 174.900 0.007 0.000 0.982 359 G CA 0.045 45.146 45.100 0.002 0.000 0.641 359 G HN 0.366 nan 8.290 nan 0.000 0.527 360 E N -0.626 119.578 120.200 0.007 0.000 2.250 360 E HA 0.653 5.001 4.350 -0.003 0.000 0.265 360 E C -0.042 176.561 176.600 0.005 0.000 1.033 360 E CA -0.964 55.446 56.400 0.016 0.000 0.888 360 E CB 0.834 30.550 29.700 0.026 0.000 1.151 360 E HN 0.033 nan 8.360 nan 0.000 0.412 361 L N 2.631 123.864 121.223 0.017 0.000 2.326 361 L HA 0.255 4.593 4.340 -0.003 0.000 0.278 361 L C -0.109 176.754 176.870 -0.013 0.000 1.092 361 L CA 0.321 55.163 54.840 0.004 0.000 0.810 361 L CB 0.613 42.682 42.059 0.018 0.000 1.153 361 L HN 0.582 nan 8.230 nan 0.000 0.439 362 E N 2.355 122.532 120.200 -0.037 0.000 2.393 362 E HA 0.736 5.084 4.350 -0.003 0.000 0.273 362 E C -1.643 174.919 176.600 -0.063 0.000 0.918 362 E CA -1.006 55.355 56.400 -0.066 0.000 0.773 362 E CB 1.974 31.625 29.700 -0.083 0.000 1.275 362 E HN 0.165 nan 8.360 nan 0.000 0.451 363 V N -0.057 119.814 119.914 -0.072 0.000 2.555 363 V HA 0.598 4.716 4.120 -0.003 0.000 0.302 363 V C -0.244 175.803 176.094 -0.078 0.000 1.038 363 V CA -0.677 61.578 62.300 -0.074 0.000 0.887 363 V CB 1.354 33.137 31.823 -0.067 0.000 0.991 363 V HN 0.789 nan 8.190 nan 0.000 0.434 364 T N 2.160 116.666 114.554 -0.080 0.000 2.918 364 T HA 0.485 4.833 4.350 -0.003 0.000 0.286 364 T C 0.094 174.747 174.700 -0.079 0.000 1.026 364 T CA -0.202 61.854 62.100 -0.074 0.000 1.031 364 T CB 1.825 70.653 68.868 -0.067 0.000 1.046 364 T HN 0.981 nan 8.240 nan 0.000 0.479 365 T N 0.411 114.923 114.554 -0.070 0.000 2.868 365 T HA 0.233 4.581 4.350 -0.003 0.000 0.292 365 T C 1.738 176.394 174.700 -0.073 0.000 1.028 365 T CA 0.115 62.172 62.100 -0.071 0.000 1.059 365 T CB 0.602 69.434 68.868 -0.060 0.000 0.991 365 T HN 0.781 nan 8.240 nan 0.000 0.531 366 T N 0.675 115.179 114.554 -0.083 0.000 3.023 366 T HA 0.446 4.794 4.350 -0.003 0.000 0.266 366 T C 1.236 175.906 174.700 -0.051 0.000 1.093 366 T CA 0.818 62.869 62.100 -0.082 0.000 1.129 366 T CB -0.363 68.436 68.868 -0.115 0.000 0.899 366 T HN 1.223 nan 8.240 nan 0.000 0.491 367 G N 0.313 109.091 108.800 -0.036 0.000 2.233 367 G HA2 0.049 4.007 3.960 -0.003 0.000 0.162 367 G HA3 0.049 4.007 3.960 -0.003 0.000 0.162 367 G C -0.909 174.007 174.900 0.027 0.000 1.327 367 G CA -0.480 44.620 45.100 -0.001 0.000 1.187 367 G HN 0.696 nan 8.290 nan 0.000 0.479 368 H N 1.446 120.507 119.070 -0.014 0.000 2.928 368 H HA 0.420 4.974 4.556 -0.003 0.000 0.338 368 H C 0.989 176.320 175.328 0.004 0.000 1.047 368 H CA 0.635 56.695 56.048 0.019 0.000 1.435 368 H CB 0.806 30.606 29.762 0.065 0.000 1.428 368 H HN 0.308 nan 8.280 nan 0.000 0.590 369 Q N 3.794 123.661 119.800 0.110 0.000 2.188 369 Q HA 0.174 4.512 4.340 -0.003 0.000 0.212 369 Q C 0.532 176.675 176.000 0.238 0.000 0.846 369 Q CA 0.064 55.936 55.803 0.115 0.000 0.989 369 Q CB 1.022 29.766 28.738 0.010 0.000 1.114 369 Q HN 0.777 nan 8.270 nan 0.000 0.488 370 G N 1.124 110.271 108.800 0.579 0.000 2.483 370 G HA2 0.141 4.099 3.960 -0.003 0.000 0.248 370 G HA3 0.141 4.099 3.960 -0.003 0.000 0.248 370 G C 0.766 175.893 174.900 0.378 0.000 1.248 370 G CA -0.198 45.218 45.100 0.527 0.000 0.838 370 G HN 0.237 nan 8.290 nan 0.000 0.566 371 S N 0.253 116.138 115.700 0.308 0.000 2.720 371 S HA -0.065 4.403 4.470 -0.003 0.000 0.222 371 S C 1.324 176.073 174.600 0.249 0.000 0.958 371 S CA 0.519 58.858 58.200 0.231 0.000 0.943 371 S CB -0.363 62.956 63.200 0.198 0.000 0.779 371 S HN 0.831 nan 8.310 nan 0.000 0.526 372 H N 1.337 120.458 119.070 0.085 0.000 2.524 372 H HA 0.485 5.039 4.556 -0.003 0.000 0.280 372 H C 0.221 175.588 175.328 0.067 0.000 1.018 372 H CA -0.655 55.431 56.048 0.063 0.000 1.165 372 H CB -0.829 28.943 29.762 0.016 0.000 1.411 372 H HN 0.686 nan 8.280 nan 0.000 0.569 373 I N -4.900 115.559 120.570 -0.184 0.000 2.775 373 I HA 0.245 4.413 4.170 -0.003 0.000 0.295 373 I C -0.635 175.527 176.117 0.076 0.000 1.287 373 I CA -1.166 60.057 61.300 -0.129 0.000 1.029 373 I CB 1.382 39.176 38.000 -0.345 0.000 1.282 373 I HN -0.228 nan 8.210 nan 0.000 0.426 374 F N 2.529 122.477 119.950 -0.004 0.000 2.698 374 F HA 0.014 4.540 4.527 -0.003 0.000 0.295 374 F C 2.493 178.338 175.800 0.074 0.000 1.124 374 F CA 1.249 59.310 58.000 0.100 0.000 1.426 374 F CB 0.408 39.463 39.000 0.091 0.000 1.120 374 F HN 0.729 nan 8.300 nan 0.000 0.583 375 S N -0.376 115.366 115.700 0.070 0.000 2.407 375 S HA -0.272 4.196 4.470 -0.003 0.000 0.235 375 S C 2.208 176.744 174.600 -0.107 0.000 1.036 375 S CA 1.561 59.761 58.200 -0.000 0.000 1.013 375 S CB -1.230 61.964 63.200 -0.010 0.000 0.820 375 S HN 0.442 nan 8.310 nan 0.000 0.476 376 S N 2.108 117.679 115.700 -0.215 0.000 2.372 376 S HA -0.157 4.311 4.470 -0.003 0.000 0.227 376 S C 1.490 175.847 174.600 -0.404 0.000 1.044 376 S CA 1.516 59.520 58.200 -0.326 0.000 1.050 376 S CB -1.342 61.587 63.200 -0.452 0.000 0.901 376 S HN 0.599 nan 8.310 nan 0.000 0.447 377 F N 1.731 121.402 119.950 -0.466 0.000 2.333 377 F HA -0.042 4.483 4.527 -0.003 0.000 0.300 377 F C 2.981 178.563 175.800 -0.364 0.000 1.083 377 F CA 1.047 58.634 58.000 -0.687 0.000 1.395 377 F CB -0.337 37.890 39.000 -1.289 0.000 1.056 377 F HN 0.310 nan 8.300 nan 0.000 0.529 378 S N -0.131 115.538 115.700 -0.052 0.000 2.421 378 S HA 0.025 4.493 4.470 -0.003 0.000 0.224 378 S C 1.854 176.469 174.600 0.024 0.000 1.035 378 S CA 0.487 58.701 58.200 0.024 0.000 0.953 378 S CB -0.178 63.049 63.200 0.045 0.000 0.810 378 S HN 0.297 nan 8.310 nan 0.000 0.497 379 L N 0.996 122.207 121.223 -0.019 0.000 2.341 379 L HA 0.292 4.630 4.340 -0.003 0.000 0.214 379 L C 1.463 178.303 176.870 -0.051 0.000 1.115 379 L CA 0.319 55.141 54.840 -0.031 0.000 0.820 379 L CB -0.497 41.533 42.059 -0.049 0.000 0.944 379 L HN 0.295 nan 8.230 nan 0.000 0.452 380 G N -0.261 108.504 108.800 -0.058 0.000 2.488 380 G HA2 0.292 4.250 3.960 -0.003 0.000 0.318 380 G HA3 0.292 4.250 3.960 -0.003 0.000 0.318 380 G C 0.086 174.860 174.900 -0.210 0.000 1.188 380 G CA -0.349 44.652 45.100 -0.165 0.000 0.944 380 G HN 0.270 nan 8.290 nan 0.000 0.495 381 N N -2.060 116.296 118.700 -0.573 0.000 2.194 381 N HA 0.149 4.887 4.740 -0.003 0.000 0.231 381 N C 0.100 174.790 175.510 -1.367 0.000 1.247 381 N CA 0.106 52.760 53.050 -0.659 0.000 0.884 381 N CB -0.400 37.943 38.487 -0.240 0.000 1.146 381 N HN 0.808 nan 8.380 nan 0.000 0.516 382 C N -2.713 115.428 119.300 -1.931 0.000 3.259 382 C HA 0.727 5.185 4.460 -0.003 0.000 0.344 382 C C -1.488 172.943 174.990 -0.931 0.000 1.401 382 C CA -1.665 56.539 59.018 -1.357 0.000 1.219 382 C CB 0.037 27.481 27.740 -0.494 0.000 1.521 382 C HN 0.038 nan 8.230 nan 0.000 0.455 383 F N 0.799 120.686 119.950 -0.104 0.000 2.470 383 F HA 0.754 5.279 4.527 -0.003 0.000 0.329 383 F C 0.429 176.233 175.800 0.006 0.000 1.072 383 F CA -0.878 57.175 58.000 0.089 0.000 0.989 383 F CB 1.522 40.732 39.000 0.351 0.000 1.193 383 F HN 0.433 nan 8.300 nan 0.000 0.481 384 I N 3.501 124.190 120.570 0.198 0.000 2.388 384 I HA 0.197 4.365 4.170 -0.003 0.000 0.281 384 I C -0.872 175.236 176.117 -0.015 0.000 1.046 384 I CA -0.674 60.659 61.300 0.055 0.000 1.187 384 I CB 1.097 39.101 38.000 0.007 0.000 1.351 384 I HN 0.203 nan 8.210 nan 0.000 0.472 385 V N 7.378 127.237 119.914 -0.091 0.000 2.287 385 V HA 0.127 4.245 4.120 -0.003 0.000 0.246 385 V C 0.551 176.503 176.094 -0.237 0.000 1.165 385 V CA -0.179 61.919 62.300 -0.338 0.000 1.088 385 V CB -0.531 31.054 31.823 -0.396 0.000 1.242 385 V HN 0.498 nan 8.190 nan 0.000 0.497 386 L N 3.919 125.021 121.223 -0.202 0.000 2.369 386 L HA 0.276 4.614 4.340 -0.003 0.000 0.279 386 L C 0.713 177.500 176.870 -0.139 0.000 1.108 386 L CA -0.461 54.304 54.840 -0.125 0.000 0.852 386 L CB 0.231 42.240 42.059 -0.084 0.000 1.169 386 L HN 0.536 nan 8.230 nan 0.000 0.452 387 E N 2.117 122.256 120.200 -0.101 0.000 2.534 387 E HA -0.112 4.236 4.350 -0.003 0.000 0.264 387 E C 1.019 177.577 176.600 -0.070 0.000 0.981 387 E CA 0.175 56.523 56.400 -0.087 0.000 0.948 387 E CB 0.382 30.048 29.700 -0.056 0.000 0.934 387 E HN 0.362 nan 8.360 nan 0.000 0.459 388 R N 2.079 122.541 120.500 -0.063 0.000 2.133 388 R HA -0.244 4.094 4.340 -0.003 0.000 0.247 388 R C 0.480 176.762 176.300 -0.029 0.000 1.151 388 R CA 1.913 57.988 56.100 -0.042 0.000 0.971 388 R CB 0.088 30.368 30.300 -0.033 0.000 0.866 388 R HN 0.546 nan 8.270 nan 0.000 0.447 389 D N -0.367 120.016 120.400 -0.028 0.000 2.348 389 D HA -0.035 4.603 4.640 -0.003 0.000 0.211 389 D C 0.450 176.739 176.300 -0.018 0.000 0.998 389 D CA 0.195 54.183 54.000 -0.020 0.000 0.873 389 D CB -0.040 40.749 40.800 -0.018 0.000 0.925 389 D HN 0.133 nan 8.370 nan 0.000 0.524 390 R N 0.384 120.870 120.500 -0.023 0.000 2.679 390 R HA 0.320 4.658 4.340 -0.003 0.000 0.268 390 R C 0.696 176.985 176.300 -0.018 0.000 1.044 390 R CA 0.191 56.279 56.100 -0.020 0.000 1.105 390 R CB 0.559 30.844 30.300 -0.025 0.000 0.989 390 R HN 0.019 nan 8.270 nan 0.000 0.447 391 G N 1.662 110.453 108.800 -0.015 0.000 2.971 391 G HA2 0.161 4.119 3.960 -0.003 0.000 0.235 391 G HA3 0.161 4.119 3.960 -0.003 0.000 0.235 391 G C -0.766 174.123 174.900 -0.017 0.000 1.351 391 G CA -0.809 44.282 45.100 -0.014 0.000 1.039 391 G HN 0.647 nan 8.290 nan 0.000 0.563 392 N N -1.256 117.433 118.700 -0.018 0.000 2.206 392 N HA 0.075 4.813 4.740 -0.003 0.000 0.226 392 N C -0.303 175.194 175.510 -0.022 0.000 1.272 392 N CA 0.413 53.450 53.050 -0.023 0.000 0.863 392 N CB 0.742 39.215 38.487 -0.023 0.000 1.092 392 N HN 0.166 nan 8.380 nan 0.000 0.440 393 V N 0.719 120.616 119.914 -0.028 0.000 2.638 393 V HA 0.303 4.421 4.120 -0.003 0.000 0.306 393 V C -0.091 175.981 176.094 -0.037 0.000 1.052 393 V CA -0.826 61.456 62.300 -0.029 0.000 0.885 393 V CB 2.180 33.985 31.823 -0.030 0.000 0.999 393 V HN 0.505 nan 8.190 nan 0.000 0.424 394 E N 2.033 122.210 120.200 -0.039 0.000 2.222 394 E HA 0.529 4.877 4.350 -0.003 0.000 0.267 394 E C -0.678 175.883 176.600 -0.064 0.000 0.963 394 E CA -0.884 55.488 56.400 -0.046 0.000 0.837 394 E CB 2.534 32.211 29.700 -0.039 0.000 1.183 394 E HN 0.387 nan 8.360 nan 0.000 0.403 395 V N 1.279 121.152 119.914 -0.068 0.000 2.752 395 V HA 0.068 4.186 4.120 -0.003 0.000 0.306 395 V C 1.531 177.558 176.094 -0.112 0.000 1.099 395 V CA 1.942 64.189 62.300 -0.087 0.000 1.240 395 V CB -0.123 31.655 31.823 -0.075 0.000 0.887 395 V HN 1.093 nan 8.190 nan 0.000 0.499 396 G N 2.939 111.643 108.800 -0.160 0.000 2.217 396 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.246 396 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.246 396 G C 0.089 174.814 174.900 -0.292 0.000 0.990 396 G CA 0.235 45.201 45.100 -0.223 0.000 0.627 396 G HN 0.700 nan 8.290 nan 0.000 0.522 397 E N -0.685 119.393 120.200 -0.202 0.000 2.373 397 E HA 0.360 4.708 4.350 -0.003 0.000 0.263 397 E C -0.302 176.186 176.600 -0.186 0.000 1.073 397 E CA -0.702 55.608 56.400 -0.150 0.000 0.894 397 E CB 0.538 30.208 29.700 -0.049 0.000 1.008 397 E HN 0.365 nan 8.360 nan 0.000 0.420 398 W N 1.840 123.125 121.300 -0.025 0.000 2.311 398 W HA 0.333 4.991 4.660 -0.003 0.000 0.310 398 W C -0.252 176.249 176.519 -0.030 0.000 1.274 398 W CA -0.243 57.087 57.345 -0.025 0.000 1.215 398 W CB 0.784 30.231 29.460 -0.022 0.000 1.227 398 W HN 0.139 nan 8.180 nan 0.000 0.523 399 V N 3.608 123.659 119.914 0.228 0.000 3.040 399 V HA 0.339 4.457 4.120 -0.003 0.000 0.312 399 V C -0.345 175.815 176.094 0.111 0.000 1.115 399 V CA -1.081 61.286 62.300 0.112 0.000 0.998 399 V CB 2.269 34.114 31.823 0.037 0.000 1.042 399 V HN 0.312 nan 8.190 nan 0.000 0.433 400 E N 1.628 121.858 120.200 0.051 0.000 2.266 400 E HA 0.541 4.889 4.350 -0.003 0.000 0.277 400 E C -1.320 175.304 176.600 0.039 0.000 1.018 400 E CA -0.212 56.212 56.400 0.040 0.000 0.840 400 E CB 2.081 31.782 29.700 0.002 0.000 1.082 400 E HN 0.337 nan 8.360 nan 0.000 0.395 401 V N 2.374 122.323 119.914 0.058 0.000 2.638 401 V HA 0.193 4.311 4.120 -0.003 0.000 0.306 401 V C -0.334 175.821 176.094 0.102 0.000 1.052 401 V CA -0.650 61.689 62.300 0.064 0.000 0.885 401 V CB 2.040 33.883 31.823 0.032 0.000 0.999 401 V HN 0.603 nan 8.190 nan 0.000 0.424 402 E N 6.848 127.152 120.200 0.174 0.000 2.183 402 E HA 0.402 4.750 4.350 -0.003 0.000 0.250 402 E C -2.612 174.126 176.600 0.230 0.000 0.901 402 E CA -2.094 54.461 56.400 0.260 0.000 0.741 402 E CB 1.883 31.843 29.700 0.434 0.000 1.182 402 E HN 0.424 nan 8.360 nan 0.000 0.425 403 P HA -0.016 nan 4.420 nan 0.000 0.268 403 P C -0.371 177.067 177.300 0.231 0.000 1.205 403 P CA -0.059 63.066 63.100 0.042 0.000 0.771 403 P CB 0.323 32.050 31.700 0.045 0.000 0.858 404 F N 2.358 122.361 119.950 0.088 0.000 2.589 404 F HA 0.025 4.550 4.527 -0.003 0.000 0.352 404 F C 1.646 177.574 175.800 0.214 0.000 1.168 404 F CA 0.060 58.164 58.000 0.174 0.000 1.353 404 F CB -0.550 38.554 39.000 0.172 0.000 1.116 404 F HN 0.396 nan 8.300 nan 0.000 0.608 405 N N 0.815 119.798 118.700 0.472 0.000 2.593 405 N HA 0.442 5.180 4.740 -0.003 0.000 0.304 405 N C 0.657 176.280 175.510 0.187 0.000 1.296 405 N CA -0.088 53.126 53.050 0.274 0.000 0.950 405 N CB -0.340 38.274 38.487 0.211 0.000 1.127 405 N HN 0.448 nan 8.380 nan 0.000 0.587 406 A N -0.479 122.409 122.820 0.113 0.000 2.084 406 A HA -0.085 4.233 4.320 -0.003 0.000 0.221 406 A C 2.051 179.646 177.584 0.017 0.000 1.161 406 A CA 1.172 53.254 52.037 0.074 0.000 0.653 406 A CB -1.232 17.802 19.000 0.058 0.000 0.802 406 A HN 0.610 nan 8.150 nan 0.000 0.457 407 L N -2.526 118.652 121.223 -0.076 0.000 2.353 407 L HA -0.081 4.257 4.340 -0.003 0.000 0.220 407 L C 1.370 178.024 176.870 -0.360 0.000 1.133 407 L CA 0.924 55.608 54.840 -0.261 0.000 0.798 407 L CB -0.432 41.376 42.059 -0.420 0.000 0.922 407 L HN 0.460 nan 8.230 nan 0.000 0.445 408 F N -0.342 119.617 119.950 0.015 0.000 2.698 408 F HA 0.433 4.958 4.527 -0.003 0.000 0.304 408 F C 1.222 177.056 175.800 0.057 0.000 1.108 408 F CA -0.128 57.840 58.000 -0.053 0.000 1.263 408 F CB 0.824 39.629 39.000 -0.326 0.000 1.013 408 F HN 0.112 nan 8.300 nan 0.000 0.532 409 G N 0.000 108.922 108.800 0.203 0.000 5.446 409 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 409 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 409 G CA 0.000 45.196 45.100 0.160 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925