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 3md0_1_A DATA FIRST_RESID 10 DATA SEQUENCE TVDGLATAVR GGDRAALPRA ITLVESTRPD HREQAQQLLL RLLPDSGNAH DATA SEQUENCE RVGITGVPGV GKSTAIEALG MHLIERGHRV AVLAVXXXXX XXXXXXXXXX DATA SEQUENCE XRMARLAVHP NAYIRPSXXX XTLGGVTRAT RETVVLLEAA GFDVILIETX DATA SEQUENCE XXGQSEVAVA NMVDTFVLLT LARTGDQLQG IKKGVLELAD IVVVNKADGE DATA SEQUENCE HHKEARLAAR ELSAAIRLIY PREALWRPPV LTMSAVEGRG LAELWDTVER DATA SEQUENCE HRQVLTGAGE FDARRRDQQV DWTWQLVRDA VLDRVWSNPT VRKVRSELER DATA SEQUENCE RVRAGELTPA LAAQQILEIA NLTD 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.696 174.700 -0.006 0.000 1.109 10 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 10 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 11 V N 1.389 121.300 119.914 -0.004 0.000 2.535 11 V HA 0.013 4.124 4.120 -0.015 0.000 0.246 11 V C 2.525 178.617 176.094 -0.003 0.000 1.045 11 V CA 1.946 64.243 62.300 -0.005 0.000 1.058 11 V CB -0.086 31.736 31.823 -0.002 0.000 0.689 11 V HN 0.536 nan 8.190 nan 0.000 0.461 12 D N 0.393 120.792 120.400 -0.001 0.000 2.144 12 D HA -0.123 4.508 4.640 -0.015 0.000 0.199 12 D C 2.116 178.415 176.300 -0.002 0.000 0.984 12 D CA 1.586 55.586 54.000 -0.000 0.000 0.834 12 D CB -0.012 40.788 40.800 0.000 0.000 0.955 12 D HN 0.459 nan 8.370 nan 0.000 0.465 13 G N 0.884 109.683 108.800 -0.003 0.000 2.402 13 G HA2 -0.213 3.739 3.960 -0.015 0.000 0.216 13 G HA3 -0.213 3.739 3.960 -0.015 0.000 0.216 13 G C 1.573 176.470 174.900 -0.005 0.000 1.162 13 G CA 0.330 45.428 45.100 -0.004 0.000 0.777 13 G HN 0.270 nan 8.290 nan 0.000 0.539 14 L N 1.454 122.673 121.223 -0.007 0.000 2.191 14 L HA 0.195 4.526 4.340 -0.015 0.000 0.212 14 L C 2.890 179.756 176.870 -0.007 0.000 1.103 14 L CA 1.768 56.602 54.840 -0.010 0.000 0.769 14 L CB -0.732 41.319 42.059 -0.015 0.000 0.908 14 L HN 0.239 nan 8.230 nan 0.000 0.438 15 A N -1.388 121.430 122.820 -0.004 0.000 1.929 15 A HA -0.152 4.160 4.320 -0.015 0.000 0.216 15 A C 2.318 179.901 177.584 -0.001 0.000 1.176 15 A CA 1.806 53.843 52.037 -0.001 0.000 0.628 15 A CB -1.059 17.942 19.000 0.002 0.000 0.816 15 A HN 0.572 nan 8.150 nan 0.000 0.444 16 T N -2.687 111.866 114.554 -0.002 0.000 2.951 16 T HA 0.196 4.537 4.350 -0.015 0.000 0.268 16 T C 1.844 176.541 174.700 -0.004 0.000 1.073 16 T CA 1.395 63.493 62.100 -0.002 0.000 1.134 16 T CB -0.321 68.545 68.868 -0.003 0.000 0.884 16 T HN 0.451 nan 8.240 nan 0.000 0.479 17 A N 1.083 123.900 122.820 -0.006 0.000 1.929 17 A HA 0.172 4.483 4.320 -0.015 0.000 0.216 17 A C 2.566 180.145 177.584 -0.008 0.000 1.176 17 A CA 1.329 53.361 52.037 -0.007 0.000 0.628 17 A CB -0.907 18.088 19.000 -0.008 0.000 0.816 17 A HN 0.412 nan 8.150 nan 0.000 0.444 18 V N -0.057 119.853 119.914 -0.007 0.000 2.358 18 V HA -0.206 3.905 4.120 -0.015 0.000 0.246 18 V C 3.280 179.373 176.094 -0.000 0.000 1.047 18 V CA 2.375 64.672 62.300 -0.004 0.000 1.035 18 V CB -1.329 30.492 31.823 -0.002 0.000 0.658 18 V HN 0.689 nan 8.190 nan 0.000 0.452 19 R N 0.537 121.038 120.500 0.000 0.000 2.148 19 R HA 0.033 4.364 4.340 -0.015 0.000 0.223 19 R C 2.266 178.562 176.300 -0.007 0.000 1.088 19 R CA 1.504 57.604 56.100 0.001 0.000 0.985 19 R CB -1.636 28.666 30.300 0.003 0.000 0.880 19 R HN 0.607 nan 8.270 nan 0.000 0.451 20 G N -1.499 107.296 108.800 -0.009 0.000 2.712 20 G HA2 0.339 4.290 3.960 -0.015 0.000 0.212 20 G HA3 0.339 4.290 3.960 -0.015 0.000 0.212 20 G C 1.318 176.206 174.900 -0.020 0.000 1.142 20 G CA 0.752 45.843 45.100 -0.013 0.000 0.789 20 G HN 1.555 nan 8.290 nan 0.000 0.535 21 G N -0.109 108.679 108.800 -0.021 0.000 2.134 21 G HA2 -0.241 3.710 3.960 -0.015 0.000 0.209 21 G HA3 -0.241 3.710 3.960 -0.015 0.000 0.209 21 G C -0.055 174.831 174.900 -0.023 0.000 0.993 21 G CA 0.142 45.224 45.100 -0.030 0.000 0.669 21 G HN 0.530 nan 8.290 nan 0.000 0.519 22 D N 0.211 120.601 120.400 -0.016 0.000 2.458 22 D HA 0.539 5.170 4.640 -0.015 0.000 0.243 22 D C 1.433 177.726 176.300 -0.012 0.000 1.146 22 D CA 0.831 54.824 54.000 -0.012 0.000 0.877 22 D CB 0.702 41.496 40.800 -0.009 0.000 1.176 22 D HN 0.670 nan 8.370 nan 0.000 0.461 23 R N 2.642 123.138 120.500 -0.005 0.000 2.397 23 R HA 0.439 4.770 4.340 -0.015 0.000 0.241 23 R C 1.386 177.688 176.300 0.003 0.000 0.914 23 R CA 0.771 56.870 56.100 -0.002 0.000 1.071 23 R CB -0.268 30.042 30.300 0.017 0.000 1.116 23 R HN 0.528 nan 8.270 nan 0.000 0.524 24 A N -0.331 122.492 122.820 0.004 0.000 2.169 24 A HA 0.571 4.882 4.320 -0.015 0.000 0.210 24 A C 2.425 180.009 177.584 -0.001 0.000 1.168 24 A CA 0.933 52.976 52.037 0.009 0.000 0.813 24 A CB -0.017 18.990 19.000 0.012 0.000 0.861 24 A HN 0.696 nan 8.150 nan 0.000 0.481 25 A N -0.284 122.530 122.820 -0.010 0.000 2.016 25 A HA 0.139 4.450 4.320 -0.015 0.000 0.217 25 A C 1.979 179.546 177.584 -0.028 0.000 1.162 25 A CA 1.353 53.381 52.037 -0.016 0.000 0.662 25 A CB -0.432 18.560 19.000 -0.014 0.000 0.812 25 A HN 0.564 nan 8.150 nan 0.000 0.450 26 L N 0.554 121.748 121.223 -0.048 0.000 1.994 26 L HA -0.004 4.328 4.340 -0.015 0.000 0.208 26 L C -0.852 175.974 176.870 -0.074 0.000 1.071 26 L CA 2.253 57.040 54.840 -0.090 0.000 0.745 26 L CB -1.233 40.720 42.059 -0.176 0.000 0.892 26 L HN 0.111 nan 8.230 nan 0.000 0.431 27 P HA -0.214 nan 4.420 nan 0.000 0.217 27 P C 1.643 178.958 177.300 0.025 0.000 1.151 27 P CA 2.748 65.876 63.100 0.047 0.000 0.849 27 P CB -0.262 31.484 31.700 0.077 0.000 0.787 28 R N -0.270 120.231 120.500 0.002 0.000 2.090 28 R HA 0.158 4.489 4.340 -0.015 0.000 0.228 28 R C 2.279 178.564 176.300 -0.025 0.000 1.110 28 R CA 1.731 57.824 56.100 -0.012 0.000 0.973 28 R CB -1.953 28.337 30.300 -0.017 0.000 0.869 28 R HN 0.281 nan 8.270 nan 0.000 0.440 29 A N 0.642 123.448 122.820 -0.023 0.000 1.968 29 A HA 0.123 4.434 4.320 -0.015 0.000 0.217 29 A C 2.381 179.958 177.584 -0.013 0.000 1.169 29 A CA 1.252 53.275 52.037 -0.024 0.000 0.638 29 A CB -0.247 18.740 19.000 -0.021 0.000 0.812 29 A HN 0.482 nan 8.150 nan 0.000 0.446 30 I N -0.726 119.843 120.570 -0.003 0.000 2.252 30 I HA -0.204 3.957 4.170 -0.015 0.000 0.245 30 I C 2.587 178.717 176.117 0.021 0.000 1.102 30 I CA 1.652 62.964 61.300 0.019 0.000 1.385 30 I CB -0.459 37.572 38.000 0.052 0.000 1.064 30 I HN 0.228 nan 8.210 nan 0.000 0.414 31 T N 1.133 115.696 114.554 0.014 0.000 2.720 31 T HA -0.205 4.136 4.350 -0.015 0.000 0.268 31 T C 1.885 176.579 174.700 -0.010 0.000 1.037 31 T CA 1.397 63.502 62.100 0.009 0.000 1.144 31 T CB -0.322 68.548 68.868 0.003 0.000 0.864 31 T HN 0.193 nan 8.240 nan 0.000 0.444 32 L N 0.773 121.967 121.223 -0.048 0.000 2.079 32 L HA -0.028 4.303 4.340 -0.015 0.000 0.210 32 L C 2.385 179.250 176.870 -0.009 0.000 1.081 32 L CA 1.347 56.136 54.840 -0.085 0.000 0.752 32 L CB -0.404 41.594 42.059 -0.102 0.000 0.896 32 L HN 0.061 nan 8.230 nan 0.000 0.433 33 V N -0.721 119.198 119.914 0.009 0.000 2.719 33 V HA -0.181 3.930 4.120 -0.015 0.000 0.252 33 V C 2.208 178.330 176.094 0.046 0.000 1.065 33 V CA 1.616 63.934 62.300 0.032 0.000 1.086 33 V CB -0.301 31.538 31.823 0.027 0.000 0.700 33 V HN 0.506 nan 8.190 nan 0.000 0.467 34 E N -0.614 119.611 120.200 0.043 0.000 2.435 34 E HA 0.021 4.362 4.350 -0.015 0.000 0.195 34 E C 1.115 177.753 176.600 0.064 0.000 1.029 34 E CA 0.020 56.449 56.400 0.048 0.000 0.865 34 E CB 0.230 29.954 29.700 0.039 0.000 0.833 34 E HN 0.411 nan 8.360 nan 0.000 0.510 35 S N 0.208 115.960 115.700 0.087 0.000 2.576 35 S HA 0.055 4.516 4.470 -0.015 0.000 0.276 35 S C 1.048 175.713 174.600 0.108 0.000 1.339 35 S CA 0.069 58.351 58.200 0.136 0.000 1.039 35 S CB 0.872 64.251 63.200 0.299 0.000 0.902 35 S HN 0.259 nan 8.310 nan 0.000 0.516 36 T N 0.230 114.827 114.554 0.072 0.000 3.004 36 T HA 0.327 4.668 4.350 -0.015 0.000 0.266 36 T C 0.857 175.559 174.700 0.002 0.000 0.986 36 T CA 0.205 62.329 62.100 0.040 0.000 0.902 36 T CB -0.342 68.543 68.868 0.029 0.000 1.118 36 T HN 0.812 nan 8.240 nan 0.000 0.522 37 R N 3.124 123.601 120.500 -0.038 0.000 2.523 37 R HA 0.281 4.613 4.340 -0.015 0.000 0.281 37 R C -0.883 175.351 176.300 -0.111 0.000 0.969 37 R CA -0.362 55.658 56.100 -0.134 0.000 1.093 37 R CB -1.461 28.642 30.300 -0.329 0.000 0.917 37 R HN 0.369 nan 8.270 nan 0.000 0.408 38 P HA -0.217 nan 4.420 nan 0.000 0.216 38 P C 1.153 178.437 177.300 -0.027 0.000 1.150 38 P CA 1.828 64.904 63.100 -0.041 0.000 0.837 38 P CB -0.164 31.514 31.700 -0.038 0.000 0.786 39 D N -0.870 119.493 120.400 -0.063 0.000 2.219 39 D HA -0.196 4.436 4.640 -0.015 0.000 0.205 39 D C 1.737 178.110 176.300 0.122 0.000 0.970 39 D CA 1.111 55.111 54.000 0.000 0.000 0.851 39 D CB -1.456 39.330 40.800 -0.022 0.000 0.943 39 D HN 0.452 nan 8.370 nan 0.000 0.488 40 H N -1.047 118.026 119.070 0.006 0.000 2.384 40 H HA 0.081 4.628 4.556 -0.016 0.000 0.300 40 H C 2.594 177.927 175.328 0.009 0.000 1.057 40 H CA 0.188 56.241 56.048 0.008 0.000 1.370 40 H CB 0.371 30.139 29.762 0.010 0.000 1.417 40 H HN 0.080 nan 8.280 nan 0.000 0.527 41 R N 1.123 121.700 120.500 0.128 0.000 2.103 41 R HA -0.178 4.153 4.340 -0.015 0.000 0.242 41 R C 2.250 178.581 176.300 0.052 0.000 1.142 41 R CA 1.638 57.781 56.100 0.072 0.000 0.960 41 R CB -0.393 29.932 30.300 0.041 0.000 0.858 41 R HN 0.475 nan 8.270 nan 0.000 0.439 42 E N 1.537 121.765 120.200 0.047 0.000 2.072 42 E HA -0.200 4.141 4.350 -0.015 0.000 0.191 42 E C 1.916 178.535 176.600 0.032 0.000 0.985 42 E CA 1.803 58.222 56.400 0.030 0.000 0.801 42 E CB -0.143 29.572 29.700 0.025 0.000 0.750 42 E HN 0.530 nan 8.360 nan 0.000 0.452 43 Q N -0.157 119.670 119.800 0.045 0.000 2.187 43 Q HA 0.096 4.427 4.340 -0.015 0.000 0.199 43 Q C 2.279 178.291 176.000 0.020 0.000 0.957 43 Q CA 0.969 56.789 55.803 0.029 0.000 0.857 43 Q CB -0.245 28.510 28.738 0.028 0.000 0.929 43 Q HN 0.286 nan 8.270 nan 0.000 0.453 44 A N 1.660 124.498 122.820 0.029 0.000 1.883 44 A HA -0.235 4.076 4.320 -0.015 0.000 0.217 44 A C 2.194 179.793 177.584 0.025 0.000 1.186 44 A CA 1.622 53.673 52.037 0.024 0.000 0.624 44 A CB -0.448 18.576 19.000 0.039 0.000 0.822 44 A HN 0.232 nan 8.150 nan 0.000 0.444 45 Q N -0.532 119.283 119.800 0.026 0.000 2.096 45 Q HA -0.172 4.159 4.340 -0.015 0.000 0.204 45 Q C 2.231 178.240 176.000 0.015 0.000 0.982 45 Q CA 1.596 57.412 55.803 0.020 0.000 0.850 45 Q CB -0.446 28.299 28.738 0.012 0.000 0.901 45 Q HN 0.680 nan 8.270 nan 0.000 0.422 46 Q N -0.097 119.710 119.800 0.012 0.000 2.119 46 Q HA -0.070 4.262 4.340 -0.015 0.000 0.201 46 Q C 2.167 178.172 176.000 0.009 0.000 0.972 46 Q CA 0.579 56.388 55.803 0.009 0.000 0.847 46 Q CB -0.470 28.273 28.738 0.008 0.000 0.903 46 Q HN 0.301 nan 8.270 nan 0.000 0.433 47 L N 0.347 121.576 121.223 0.009 0.000 2.017 47 L HA -0.129 4.203 4.340 -0.015 0.000 0.208 47 L C 2.104 178.981 176.870 0.012 0.000 1.073 47 L CA 1.467 56.311 54.840 0.007 0.000 0.745 47 L CB -0.694 41.367 42.059 0.003 0.000 0.894 47 L HN 0.126 nan 8.230 nan 0.000 0.432 48 L N -1.194 120.039 121.223 0.017 0.000 2.012 48 L HA -0.249 4.082 4.340 -0.015 0.000 0.210 48 L C 2.534 179.416 176.870 0.021 0.000 1.073 48 L CA 1.142 55.995 54.840 0.023 0.000 0.748 48 L CB -0.805 41.274 42.059 0.033 0.000 0.891 48 L HN 0.329 nan 8.230 nan 0.000 0.431 49 L N 0.430 121.663 121.223 0.017 0.000 2.081 49 L HA -0.262 4.069 4.340 -0.015 0.000 0.212 49 L C 3.090 179.967 176.870 0.013 0.000 1.080 49 L CA 2.486 57.335 54.840 0.014 0.000 0.754 49 L CB -0.809 41.255 42.059 0.009 0.000 0.893 49 L HN 0.212 nan 8.230 nan 0.000 0.433 50 R N -0.781 119.726 120.500 0.011 0.000 2.093 50 R HA 0.080 4.411 4.340 -0.015 0.000 0.224 50 R C 2.059 178.367 176.300 0.012 0.000 1.101 50 R CA 1.609 57.715 56.100 0.010 0.000 0.979 50 R CB -1.375 28.929 30.300 0.007 0.000 0.877 50 R HN 0.520 nan 8.270 nan 0.000 0.441 51 L N 0.003 121.235 121.223 0.015 0.000 2.446 51 L HA 0.109 4.440 4.340 -0.015 0.000 0.219 51 L C 2.368 179.251 176.870 0.023 0.000 1.116 51 L CA 0.079 54.930 54.840 0.018 0.000 0.844 51 L CB -0.148 41.922 42.059 0.018 0.000 0.970 51 L HN 0.229 nan 8.230 nan 0.000 0.457 52 L N 1.424 122.661 121.223 0.023 0.000 2.043 52 L HA -0.146 4.185 4.340 -0.015 0.000 0.212 52 L C -0.455 176.431 176.870 0.027 0.000 1.075 52 L CA 2.272 57.128 54.840 0.027 0.000 0.752 52 L CB -1.324 40.751 42.059 0.026 0.000 0.891 52 L HN 0.141 nan 8.230 nan 0.000 0.432 53 P HA -0.052 nan 4.420 nan 0.000 0.229 53 P C 0.455 177.770 177.300 0.024 0.000 1.160 53 P CA 1.047 64.160 63.100 0.022 0.000 0.777 53 P CB -0.038 31.672 31.700 0.017 0.000 0.814 54 D N -0.941 119.475 120.400 0.025 0.000 2.340 54 D HA 0.020 4.651 4.640 -0.015 0.000 0.220 54 D C 0.980 177.303 176.300 0.038 0.000 1.039 54 D CA 0.442 54.459 54.000 0.028 0.000 0.866 54 D CB 0.208 41.022 40.800 0.023 0.000 0.913 54 D HN 0.272 nan 8.370 nan 0.000 0.523 55 S N -1.319 114.406 115.700 0.042 0.000 2.694 55 S HA 0.543 5.004 4.470 -0.015 0.000 0.278 55 S C 1.335 175.970 174.600 0.058 0.000 1.152 55 S CA 0.233 58.464 58.200 0.052 0.000 1.010 55 S CB 2.164 65.392 63.200 0.046 0.000 1.104 55 S HN 0.198 nan 8.310 nan 0.000 0.547 56 G N 0.518 109.361 108.800 0.071 0.000 2.194 56 G HA2 -0.220 3.732 3.960 -0.015 0.000 0.236 56 G HA3 -0.220 3.732 3.960 -0.015 0.000 0.236 56 G C 0.156 175.121 174.900 0.109 0.000 0.987 56 G CA 0.081 45.231 45.100 0.084 0.000 0.635 56 G HN 0.699 nan 8.290 nan 0.000 0.520 57 N N 1.511 120.271 118.700 0.100 0.000 2.920 57 N HA 0.586 5.317 4.740 -0.015 0.000 0.310 57 N C 0.161 175.748 175.510 0.128 0.000 1.384 57 N CA 0.953 54.062 53.050 0.098 0.000 1.083 57 N CB 0.523 39.052 38.487 0.071 0.000 1.389 57 N HN 0.910 nan 8.380 nan 0.000 0.521 58 A N -0.192 122.729 122.820 0.167 0.000 2.609 58 A HA 0.332 4.643 4.320 -0.015 0.000 0.291 58 A C -1.490 176.268 177.584 0.291 0.000 1.096 58 A CA -0.648 51.520 52.037 0.217 0.000 0.684 58 A CB 1.312 20.434 19.000 0.202 0.000 1.282 58 A HN 0.528 nan 8.150 nan 0.000 0.412 59 H N 0.755 119.953 119.070 0.212 0.000 2.519 59 H HA 0.527 5.074 4.556 -0.015 0.000 0.316 59 H C -0.262 175.191 175.328 0.208 0.000 1.065 59 H CA -0.656 55.532 56.048 0.233 0.000 1.264 59 H CB 0.565 30.451 29.762 0.207 0.000 1.413 59 H HN 0.572 nan 8.280 nan 0.000 0.465 60 R N 4.100 124.858 120.500 0.430 0.000 2.229 60 R HA 0.353 4.684 4.340 -0.015 0.000 0.328 60 R C -1.111 175.294 176.300 0.175 0.000 1.009 60 R CA -0.689 55.545 56.100 0.224 0.000 0.864 60 R CB 1.635 32.019 30.300 0.139 0.000 1.085 60 R HN 0.223 nan 8.270 nan 0.000 0.453 61 V N 2.359 122.319 119.914 0.077 0.000 2.487 61 V HA 0.539 4.650 4.120 -0.015 0.000 0.298 61 V C 0.460 176.563 176.094 0.015 0.000 1.028 61 V CA -0.845 61.461 62.300 0.009 0.000 0.860 61 V CB 1.976 33.779 31.823 -0.033 0.000 0.991 61 V HN 0.946 nan 8.190 nan 0.000 0.427 62 G N 4.196 113.004 108.800 0.014 0.000 2.412 62 G HA2 0.786 4.737 3.960 -0.015 0.000 0.318 62 G HA3 0.786 4.737 3.960 -0.015 0.000 0.318 62 G C -0.969 173.740 174.900 -0.319 0.000 1.146 62 G CA -0.477 44.602 45.100 -0.035 0.000 0.882 62 G HN 0.604 nan 8.290 nan 0.000 0.501 63 I N 0.445 120.825 120.570 -0.317 0.000 2.548 63 I HA 0.393 4.554 4.170 -0.015 0.000 0.287 63 I C -0.163 175.773 176.117 -0.301 0.000 1.103 63 I CA -0.397 60.704 61.300 -0.332 0.000 1.049 63 I CB 2.664 40.566 38.000 -0.163 0.000 1.232 63 I HN 0.546 nan 8.210 nan 0.000 0.429 64 T N 3.179 117.516 114.554 -0.362 0.000 2.804 64 T HA 0.954 5.295 4.350 -0.015 0.000 0.290 64 T C -0.723 173.911 174.700 -0.109 0.000 1.099 64 T CA -0.147 61.848 62.100 -0.175 0.000 1.011 64 T CB 2.160 70.988 68.868 -0.068 0.000 1.291 64 T HN 1.050 nan 8.240 nan 0.000 0.523 65 G N 0.117 108.893 108.800 -0.040 0.000 2.347 65 G HA2 0.357 4.309 3.960 -0.015 0.000 0.321 65 G HA3 0.357 4.309 3.960 -0.015 0.000 0.321 65 G C -0.689 174.203 174.900 -0.013 0.000 1.412 65 G CA -0.208 44.878 45.100 -0.024 0.000 0.990 65 G HN 1.434 nan 8.290 nan 0.000 0.637 66 V N -1.318 118.591 119.914 -0.009 0.000 2.963 66 V HA 0.582 4.693 4.120 -0.015 0.000 0.306 66 V C -1.835 174.252 176.094 -0.011 0.000 1.077 66 V CA -1.369 60.928 62.300 -0.006 0.000 1.124 66 V CB 0.469 32.289 31.823 -0.006 0.000 0.987 66 V HN 0.621 nan 8.190 nan 0.000 0.487 67 P HA 0.242 nan 4.420 nan 0.000 0.264 67 P C 1.030 178.323 177.300 -0.012 0.000 1.183 67 P CA 1.895 64.990 63.100 -0.010 0.000 0.763 67 P CB 0.543 32.240 31.700 -0.006 0.000 0.807 68 G N 1.954 110.745 108.800 -0.014 0.000 2.205 68 G HA2 -0.331 3.621 3.960 -0.015 0.000 0.261 68 G HA3 -0.331 3.621 3.960 -0.015 0.000 0.261 68 G C 1.069 175.958 174.900 -0.019 0.000 0.980 68 G CA 0.208 45.298 45.100 -0.015 0.000 0.632 68 G HN 0.524 nan 8.290 nan 0.000 0.533 69 V N 0.578 120.479 119.914 -0.022 0.000 2.720 69 V HA 0.329 4.440 4.120 -0.015 0.000 0.256 69 V C 2.084 178.161 176.094 -0.028 0.000 1.082 69 V CA 3.333 65.617 62.300 -0.026 0.000 1.101 69 V CB -0.268 31.538 31.823 -0.029 0.000 0.693 69 V HN 2.301 nan 8.190 nan 0.000 0.479 70 G N -0.875 107.909 108.800 -0.026 0.000 2.145 70 G HA2 -0.187 3.764 3.960 -0.015 0.000 0.145 70 G HA3 -0.187 3.764 3.960 -0.015 0.000 0.145 70 G C 0.575 175.457 174.900 -0.030 0.000 1.017 70 G CA 0.345 45.430 45.100 -0.026 0.000 0.682 70 G HN 0.437 nan 8.290 nan 0.000 0.504 71 K N 0.760 121.139 120.400 -0.034 0.000 2.009 71 K HA -0.101 4.211 4.320 -0.015 0.000 0.210 71 K C 2.876 179.454 176.600 -0.037 0.000 1.049 71 K CA 2.017 58.279 56.287 -0.041 0.000 0.929 71 K CB -0.233 32.240 32.500 -0.045 0.000 0.714 71 K HN 0.594 nan 8.250 nan 0.000 0.440 72 S N 0.106 115.786 115.700 -0.032 0.000 2.436 72 S HA -0.064 4.397 4.470 -0.015 0.000 0.228 72 S C 1.954 176.538 174.600 -0.027 0.000 1.014 72 S CA 1.264 59.445 58.200 -0.031 0.000 0.950 72 S CB -0.316 62.867 63.200 -0.029 0.000 0.784 72 S HN 0.141 nan 8.310 nan 0.000 0.504 73 T N 2.523 117.063 114.554 -0.024 0.000 2.821 73 T HA 0.146 4.487 4.350 -0.015 0.000 0.267 73 T C 2.183 176.870 174.700 -0.022 0.000 1.046 73 T CA 1.288 63.376 62.100 -0.020 0.000 1.139 73 T CB -0.677 68.181 68.868 -0.017 0.000 0.871 73 T HN 0.626 nan 8.240 nan 0.000 0.454 74 A N 0.990 123.794 122.820 -0.026 0.000 1.929 74 A HA 0.079 4.390 4.320 -0.015 0.000 0.216 74 A C 2.280 179.846 177.584 -0.030 0.000 1.176 74 A CA 0.904 52.925 52.037 -0.028 0.000 0.628 74 A CB -0.684 18.298 19.000 -0.031 0.000 0.816 74 A HN 0.486 nan 8.150 nan 0.000 0.444 75 I N -0.463 120.086 120.570 -0.034 0.000 2.179 75 I HA -0.270 3.892 4.170 -0.015 0.000 0.242 75 I C 2.558 178.652 176.117 -0.039 0.000 1.088 75 I CA 1.843 63.119 61.300 -0.039 0.000 1.357 75 I CB -0.276 37.699 38.000 -0.042 0.000 1.051 75 I HN 0.600 nan 8.210 nan 0.000 0.409 76 E N 1.471 121.653 120.200 -0.030 0.000 2.070 76 E HA -0.276 4.065 4.350 -0.015 0.000 0.197 76 E C 2.139 178.728 176.600 -0.018 0.000 1.004 76 E CA 1.866 58.252 56.400 -0.022 0.000 0.805 76 E CB -0.123 29.567 29.700 -0.015 0.000 0.744 76 E HN 0.456 nan 8.360 nan 0.000 0.451 77 A N 0.563 123.373 122.820 -0.016 0.000 1.897 77 A HA -0.079 4.232 4.320 -0.015 0.000 0.215 77 A C 2.184 179.763 177.584 -0.008 0.000 1.181 77 A CA 1.266 53.298 52.037 -0.007 0.000 0.620 77 A CB -0.711 18.284 19.000 -0.010 0.000 0.821 77 A HN 0.405 nan 8.150 nan 0.000 0.443 78 L N 0.313 121.516 121.223 -0.033 0.000 2.046 78 L HA -0.004 4.327 4.340 -0.015 0.000 0.208 78 L C 2.398 179.211 176.870 -0.095 0.000 1.077 78 L CA 2.317 57.123 54.840 -0.056 0.000 0.747 78 L CB -1.184 40.841 42.059 -0.057 0.000 0.896 78 L HN 0.309 nan 8.230 nan 0.000 0.432 79 G N -0.443 108.301 108.800 -0.094 0.000 2.513 79 G HA2 -0.328 3.623 3.960 -0.015 0.000 0.219 79 G HA3 -0.328 3.623 3.960 -0.015 0.000 0.219 79 G C 1.465 176.310 174.900 -0.092 0.000 1.160 79 G CA 1.380 46.418 45.100 -0.104 0.000 0.767 79 G HN 0.342 nan 8.290 nan 0.000 0.571 80 M N -0.129 119.446 119.600 -0.042 0.000 2.132 80 M HA 0.047 4.518 4.480 -0.015 0.000 0.263 80 M C 2.107 178.388 176.300 -0.031 0.000 1.065 80 M CA 1.277 56.559 55.300 -0.030 0.000 1.122 80 M CB -1.547 31.060 32.600 0.011 0.000 1.365 80 M HN 0.498 nan 8.290 nan 0.000 0.411 81 H N 0.655 119.665 119.070 -0.100 0.000 2.319 81 H HA -0.118 4.429 4.556 -0.015 0.000 0.297 81 H C 1.903 177.148 175.328 -0.140 0.000 1.097 81 H CA 2.122 58.109 56.048 -0.101 0.000 1.285 81 H CB -0.164 29.535 29.762 -0.106 0.000 1.368 81 H HN 0.302 nan 8.280 nan 0.000 0.495 82 L N -0.595 120.484 121.223 -0.241 0.000 2.072 82 L HA -0.093 4.238 4.340 -0.015 0.000 0.205 82 L C 2.591 179.396 176.870 -0.108 0.000 1.079 82 L CA 1.095 55.763 54.840 -0.287 0.000 0.752 82 L CB -0.315 41.429 42.059 -0.525 0.000 0.906 82 L HN 0.323 nan 8.230 nan 0.000 0.436 83 I N -0.004 120.466 120.570 -0.167 0.000 2.286 83 I HA -0.280 3.881 4.170 -0.015 0.000 0.248 83 I C 2.226 178.229 176.117 -0.192 0.000 1.115 83 I CA 1.374 62.540 61.300 -0.223 0.000 1.392 83 I CB -0.155 37.603 38.000 -0.402 0.000 1.065 83 I HN 0.286 nan 8.210 nan 0.000 0.418 84 E N 0.203 120.308 120.200 -0.158 0.000 2.418 84 E HA -0.131 4.210 4.350 -0.015 0.000 0.197 84 E C 1.706 178.224 176.600 -0.137 0.000 1.026 84 E CA 0.450 56.782 56.400 -0.114 0.000 0.862 84 E CB 0.050 29.698 29.700 -0.086 0.000 0.799 84 E HN 0.443 nan 8.360 nan 0.000 0.518 85 R N -0.813 119.581 120.500 -0.176 0.000 2.362 85 R HA 0.120 4.451 4.340 -0.015 0.000 0.227 85 R C 0.873 177.004 176.300 -0.282 0.000 0.905 85 R CA 0.460 56.446 56.100 -0.189 0.000 1.067 85 R CB 1.046 31.242 30.300 -0.173 0.000 1.078 85 R HN 0.213 nan 8.270 nan 0.000 0.516 86 G N 0.263 108.913 108.800 -0.249 0.000 2.179 86 G HA2 -0.208 3.743 3.960 -0.015 0.000 0.220 86 G HA3 -0.208 3.743 3.960 -0.015 0.000 0.220 86 G C -0.049 174.674 174.900 -0.295 0.000 0.990 86 G CA -0.489 44.452 45.100 -0.265 0.000 0.646 86 G HN 0.329 nan 8.290 nan 0.000 0.517 87 H N 0.540 119.536 119.070 -0.123 0.000 2.607 87 H HA 0.477 5.024 4.556 -0.015 0.000 0.367 87 H C 0.590 175.848 175.328 -0.118 0.000 1.181 87 H CA 0.103 56.089 56.048 -0.102 0.000 1.402 87 H CB 0.606 30.297 29.762 -0.119 0.000 1.474 87 H HN 0.251 nan 8.280 nan 0.000 0.596 88 R N 1.241 121.764 120.500 0.040 0.000 2.343 88 R HA 0.409 4.740 4.340 -0.015 0.000 0.320 88 R C -0.981 175.474 176.300 0.259 0.000 0.956 88 R CA -0.699 55.381 56.100 -0.034 0.000 0.836 88 R CB 1.494 31.562 30.300 -0.387 0.000 1.151 88 R HN 0.203 nan 8.270 nan 0.000 0.450 89 V N 2.328 122.448 119.914 0.344 0.000 2.417 89 V HA 0.599 4.710 4.120 -0.015 0.000 0.291 89 V C -0.058 176.206 176.094 0.283 0.000 1.024 89 V CA -0.806 61.653 62.300 0.265 0.000 0.861 89 V CB 1.612 33.461 31.823 0.043 0.000 0.985 89 V HN 0.893 nan 8.190 nan 0.000 0.436 90 A N 4.529 127.401 122.820 0.087 0.000 2.337 90 A HA 0.891 5.202 4.320 -0.015 0.000 0.329 90 A C -0.846 176.695 177.584 -0.071 0.000 1.146 90 A CA -0.582 51.370 52.037 -0.141 0.000 0.800 90 A CB 1.679 20.441 19.000 -0.396 0.000 1.220 90 A HN 0.672 nan 8.150 nan 0.000 0.472 91 V N 3.472 123.330 119.914 -0.093 0.000 2.409 91 V HA 0.467 4.578 4.120 -0.015 0.000 0.291 91 V C -0.372 175.663 176.094 -0.097 0.000 1.020 91 V CA -0.187 62.064 62.300 -0.081 0.000 0.848 91 V CB 0.961 32.737 31.823 -0.078 0.000 0.990 91 V HN 0.768 nan 8.190 nan 0.000 0.430 92 L N 3.674 124.856 121.223 -0.068 0.000 2.341 92 L HA 0.958 5.289 4.340 -0.015 0.000 0.267 92 L C 0.029 176.870 176.870 -0.049 0.000 1.009 92 L CA -0.795 54.008 54.840 -0.063 0.000 0.819 92 L CB 2.154 44.185 42.059 -0.047 0.000 1.323 92 L HN 0.683 nan 8.230 nan 0.000 0.425 93 A N 1.916 124.708 122.820 -0.047 0.000 2.343 93 A HA 0.812 5.124 4.320 -0.015 0.000 0.316 93 A C -0.676 176.892 177.584 -0.026 0.000 1.104 93 A CA -0.452 51.563 52.037 -0.036 0.000 0.768 93 A CB 1.589 20.564 19.000 -0.041 0.000 1.213 93 A HN 0.388 nan 8.150 nan 0.000 0.456 112 M N -0.228 119.357 119.600 -0.025 0.000 2.067 112 M HA 0.799 5.270 4.480 -0.015 0.000 0.214 112 M C 0.700 176.991 176.300 -0.016 0.000 0.891 112 M CA -0.115 55.173 55.300 -0.021 0.000 0.697 112 M CB 1.730 34.314 32.600 -0.026 0.000 1.616 112 M HN 0.413 nan 8.290 nan 0.000 0.354 113 A N 1.672 124.487 122.820 -0.009 0.000 1.872 113 A HA 0.029 4.340 4.320 -0.015 0.000 0.214 113 A C 2.413 180.002 177.584 0.007 0.000 1.187 113 A CA 2.141 54.175 52.037 -0.004 0.000 0.614 113 A CB -0.524 18.474 19.000 -0.004 0.000 0.826 113 A HN 0.848 nan 8.150 nan 0.000 0.442 114 R N -0.517 119.991 120.500 0.012 0.000 2.152 114 R HA 0.046 4.377 4.340 -0.015 0.000 0.232 114 R C 2.004 178.332 176.300 0.045 0.000 1.117 114 R CA 1.684 57.799 56.100 0.025 0.000 0.981 114 R CB -1.507 28.807 30.300 0.023 0.000 0.870 114 R HN 0.516 nan 8.270 nan 0.000 0.451 115 L N 0.210 121.453 121.223 0.034 0.000 2.005 115 L HA 0.147 4.478 4.340 -0.015 0.000 0.207 115 L C 2.814 179.723 176.870 0.066 0.000 1.072 115 L CA 2.129 56.995 54.840 0.044 0.000 0.744 115 L CB -0.883 41.182 42.059 0.010 0.000 0.895 115 L HN 0.388 nan 8.230 nan 0.000 0.433 116 A N -1.406 121.434 122.820 0.033 0.000 2.194 116 A HA -0.130 4.181 4.320 -0.015 0.000 0.220 116 A C 2.129 179.747 177.584 0.057 0.000 1.162 116 A CA 1.665 53.719 52.037 0.028 0.000 0.674 116 A CB -0.914 18.080 19.000 -0.010 0.000 0.789 116 A HN 0.360 nan 8.150 nan 0.000 0.470 117 V N -0.603 119.350 119.914 0.066 0.000 2.788 117 V HA -0.042 4.070 4.120 -0.015 0.000 0.251 117 V C 1.215 177.350 176.094 0.068 0.000 1.068 117 V CA 0.544 62.873 62.300 0.049 0.000 1.090 117 V CB -0.729 31.106 31.823 0.020 0.000 0.710 117 V HN 0.654 nan 8.190 nan 0.000 0.467 118 H N 1.610 120.700 119.070 0.033 0.000 2.764 118 H HA 0.128 4.675 4.556 -0.015 0.000 0.341 118 H C -1.717 173.647 175.328 0.060 0.000 1.072 118 H CA -1.793 54.277 56.048 0.037 0.000 1.444 118 H CB 1.864 31.645 29.762 0.032 0.000 1.458 118 H HN 0.083 nan 8.280 nan 0.000 0.572 119 P HA -0.038 nan 4.420 nan 0.000 0.234 119 P C 0.377 177.818 177.300 0.235 0.000 1.167 119 P CA 0.735 63.949 63.100 0.190 0.000 0.763 119 P CB 0.468 32.215 31.700 0.078 0.000 0.835 120 N N -0.919 117.991 118.700 0.350 0.000 2.230 120 N HA 0.190 4.921 4.740 -0.015 0.000 0.202 120 N C 0.295 175.908 175.510 0.172 0.000 1.119 120 N CA 0.020 53.132 53.050 0.104 0.000 0.851 120 N CB 0.395 38.857 38.487 -0.041 0.000 0.990 120 N HN 0.051 nan 8.380 nan 0.000 0.497 121 A N 0.272 123.253 122.820 0.269 0.000 2.340 121 A HA 0.612 4.923 4.320 -0.015 0.000 0.331 121 A C -1.576 176.252 177.584 0.407 0.000 1.140 121 A CA -0.431 51.789 52.037 0.306 0.000 0.801 121 A CB 1.304 20.390 19.000 0.144 0.000 1.234 121 A HN 0.187 nan 8.150 nan 0.000 0.469 122 Y N 2.698 123.058 120.300 0.100 0.000 2.354 122 Y HA 0.560 5.101 4.550 -0.015 0.000 0.330 122 Y C -1.222 174.600 175.900 -0.129 0.000 1.011 122 Y CA -1.325 56.727 58.100 -0.080 0.000 1.099 122 Y CB 1.319 39.554 38.460 -0.375 0.000 1.179 122 Y HN 0.498 nan 8.280 nan 0.000 0.442 123 I N 5.833 126.092 120.570 -0.519 0.000 2.406 123 I HA 0.700 4.861 4.170 -0.015 0.000 0.290 123 I C -0.011 175.748 176.117 -0.596 0.000 0.999 123 I CA -0.660 60.391 61.300 -0.416 0.000 1.124 123 I CB 0.810 38.679 38.000 -0.218 0.000 1.289 123 I HN 0.770 nan 8.210 nan 0.000 0.441 124 R N 6.785 127.031 120.500 -0.424 0.000 2.575 124 R HA 0.825 5.156 4.340 -0.015 0.000 0.293 124 R C -3.027 173.182 176.300 -0.152 0.000 0.983 124 R CA -1.402 54.519 56.100 -0.299 0.000 0.887 124 R CB 0.901 31.064 30.300 -0.228 0.000 1.184 124 R HN 0.570 nan 8.270 nan 0.000 0.445 125 P HA 0.261 nan 4.420 nan 0.000 0.277 125 P C -0.057 177.215 177.300 -0.046 0.000 1.240 125 P CA -0.105 62.953 63.100 -0.069 0.000 0.798 125 P CB 1.506 33.172 31.700 -0.057 0.000 0.979 132 L N 5.063 126.280 121.223 -0.010 0.000 2.079 132 L HA 0.249 4.580 4.340 -0.015 0.000 0.210 132 L C 2.405 179.297 176.870 0.037 0.000 1.081 132 L CA 2.970 57.812 54.840 0.003 0.000 0.752 132 L CB -0.752 41.302 42.059 -0.009 0.000 0.896 132 L HN 0.941 nan 8.230 nan 0.000 0.433 133 G N -1.348 107.479 108.800 0.045 0.000 2.433 133 G HA2 -0.193 3.758 3.960 -0.015 0.000 0.216 133 G HA3 -0.193 3.758 3.960 -0.015 0.000 0.216 133 G C 1.526 176.516 174.900 0.150 0.000 1.186 133 G CA 0.618 45.792 45.100 0.122 0.000 0.779 133 G HN 0.577 nan 8.290 nan 0.000 0.543 134 G N 0.886 109.734 108.800 0.079 0.000 2.631 134 G HA2 -0.291 3.660 3.960 -0.015 0.000 0.219 134 G HA3 -0.291 3.660 3.960 -0.015 0.000 0.219 134 G C 2.016 176.957 174.900 0.068 0.000 1.214 134 G CA 3.003 48.146 45.100 0.071 0.000 0.785 134 G HN 0.985 nan 8.290 nan 0.000 0.596 135 V N -1.479 118.458 119.914 0.039 0.000 2.594 135 V HA -0.116 3.995 4.120 -0.015 0.000 0.253 135 V C 2.631 178.722 176.094 -0.006 0.000 1.069 135 V CA 2.648 64.958 62.300 0.016 0.000 1.082 135 V CB -1.339 30.485 31.823 0.003 0.000 0.680 135 V HN 0.311 nan 8.190 nan 0.000 0.469 136 T N 0.755 115.305 114.554 -0.006 0.000 2.674 136 T HA -0.183 4.158 4.350 -0.015 0.000 0.265 136 T C 1.962 176.570 174.700 -0.154 0.000 1.039 136 T CA 2.282 64.311 62.100 -0.118 0.000 1.150 136 T CB -0.338 68.451 68.868 -0.131 0.000 0.864 136 T HN 0.576 nan 8.240 nan 0.000 0.427 137 R N 1.551 122.117 120.500 0.110 0.000 2.094 137 R HA -0.110 4.222 4.340 -0.015 0.000 0.239 137 R C 2.410 178.773 176.300 0.105 0.000 1.137 137 R CA 1.994 58.267 56.100 0.288 0.000 0.943 137 R CB -0.844 29.683 30.300 0.379 0.000 0.850 137 R HN 0.346 nan 8.270 nan 0.000 0.433 138 A N -0.630 122.230 122.820 0.066 0.000 1.902 138 A HA -0.123 4.189 4.320 -0.015 0.000 0.217 138 A C 2.256 179.841 177.584 0.002 0.000 1.181 138 A CA 2.012 54.073 52.037 0.039 0.000 0.623 138 A CB -1.074 17.947 19.000 0.035 0.000 0.818 138 A HN 0.544 nan 8.150 nan 0.000 0.443 139 T N -0.136 114.400 114.554 -0.031 0.000 2.652 139 T HA -0.186 4.155 4.350 -0.015 0.000 0.267 139 T C 2.063 176.715 174.700 -0.080 0.000 1.039 139 T CA 1.623 63.689 62.100 -0.057 0.000 1.153 139 T CB -0.295 68.528 68.868 -0.076 0.000 0.863 139 T HN 0.490 nan 8.240 nan 0.000 0.428 140 R N 0.854 121.267 120.500 -0.145 0.000 2.091 140 R HA -0.110 4.221 4.340 -0.015 0.000 0.238 140 R C 2.593 178.852 176.300 -0.069 0.000 1.136 140 R CA 1.607 57.598 56.100 -0.182 0.000 0.959 140 R CB -0.232 29.833 30.300 -0.392 0.000 0.856 140 R HN 0.590 nan 8.270 nan 0.000 0.437 141 E N -0.575 119.619 120.200 -0.011 0.000 2.107 141 E HA -0.096 4.245 4.350 -0.015 0.000 0.191 141 E C 1.913 178.521 176.600 0.013 0.000 0.982 141 E CA 1.432 57.848 56.400 0.027 0.000 0.809 141 E CB -0.022 29.714 29.700 0.061 0.000 0.756 141 E HN 0.306 nan 8.360 nan 0.000 0.459 142 T N 1.201 115.757 114.554 0.004 0.000 2.759 142 T HA -0.148 4.193 4.350 -0.015 0.000 0.269 142 T C 2.122 176.818 174.700 -0.007 0.000 1.042 142 T CA 0.999 63.100 62.100 0.001 0.000 1.140 142 T CB -0.257 68.615 68.868 0.006 0.000 0.864 142 T HN -0.021 nan 8.240 nan 0.000 0.455 143 V N 1.140 121.046 119.914 -0.013 0.000 2.343 143 V HA -0.163 3.948 4.120 -0.015 0.000 0.247 143 V C 2.678 178.782 176.094 0.017 0.000 1.051 143 V CA 1.305 63.602 62.300 -0.004 0.000 1.036 143 V CB -0.696 31.118 31.823 -0.014 0.000 0.654 143 V HN 0.331 nan 8.190 nan 0.000 0.451 144 V N -0.100 119.823 119.914 0.015 0.000 2.287 144 V HA -0.293 3.818 4.120 -0.015 0.000 0.248 144 V C 2.305 178.418 176.094 0.032 0.000 1.053 144 V CA 2.140 64.457 62.300 0.028 0.000 1.027 144 V CB -0.585 31.255 31.823 0.028 0.000 0.646 144 V HN 0.450 nan 8.190 nan 0.000 0.447 145 L N -0.791 120.444 121.223 0.021 0.000 1.989 145 L HA -0.213 4.119 4.340 -0.015 0.000 0.211 145 L C 2.459 179.348 176.870 0.033 0.000 1.071 145 L CA 1.697 56.547 54.840 0.016 0.000 0.749 145 L CB -0.706 41.351 42.059 -0.004 0.000 0.890 145 L HN 0.296 nan 8.230 nan 0.000 0.431 146 L N -0.439 120.797 121.223 0.022 0.000 2.079 146 L HA -0.213 4.118 4.340 -0.015 0.000 0.210 146 L C 2.521 179.513 176.870 0.203 0.000 1.081 146 L CA 1.347 56.226 54.840 0.066 0.000 0.752 146 L CB -0.528 41.490 42.059 -0.069 0.000 0.896 146 L HN 0.300 nan 8.230 nan 0.000 0.433 147 E N 0.056 120.336 120.200 0.133 0.000 2.107 147 E HA -0.152 4.189 4.350 -0.015 0.000 0.191 147 E C 2.338 179.000 176.600 0.104 0.000 0.982 147 E CA 0.946 57.428 56.400 0.137 0.000 0.809 147 E CB -0.137 29.625 29.700 0.104 0.000 0.756 147 E HN 0.491 nan 8.360 nan 0.000 0.459 148 A N 1.455 124.322 122.820 0.078 0.000 1.933 148 A HA -0.046 4.266 4.320 -0.015 0.000 0.218 148 A C 2.285 179.900 177.584 0.053 0.000 1.175 148 A CA 1.436 53.505 52.037 0.053 0.000 0.628 148 A CB -0.405 18.617 19.000 0.037 0.000 0.814 148 A HN 0.258 nan 8.150 nan 0.000 0.444 149 A N -1.865 121.007 122.820 0.086 0.000 2.235 149 A HA 0.399 4.710 4.320 -0.015 0.000 0.208 149 A C 1.760 179.362 177.584 0.030 0.000 1.172 149 A CA 1.259 53.346 52.037 0.084 0.000 0.786 149 A CB -0.965 18.123 19.000 0.146 0.000 0.804 149 A HN 1.854 nan 8.150 nan 0.000 0.479 150 G N -2.078 106.742 108.800 0.032 0.000 2.194 150 G HA2 -0.233 3.718 3.960 -0.015 0.000 0.236 150 G HA3 -0.233 3.718 3.960 -0.015 0.000 0.236 150 G C 0.030 174.862 174.900 -0.114 0.000 0.987 150 G CA -0.095 44.966 45.100 -0.066 0.000 0.635 150 G HN 0.328 nan 8.290 nan 0.000 0.520 151 F N 2.418 122.380 119.950 0.020 0.000 2.543 151 F HA 0.354 4.872 4.527 -0.015 0.000 0.375 151 F C 1.596 177.436 175.800 0.066 0.000 1.075 151 F CA 0.595 58.619 58.000 0.040 0.000 1.225 151 F CB 0.870 39.893 39.000 0.038 0.000 1.099 151 F HN 0.233 nan 8.300 nan 0.000 0.561 152 D N 1.149 121.681 120.400 0.221 0.000 2.433 152 D HA 0.075 4.707 4.640 -0.015 0.000 0.211 152 D C -0.299 176.145 176.300 0.240 0.000 1.114 152 D CA 0.476 54.604 54.000 0.212 0.000 0.837 152 D CB 0.311 41.228 40.800 0.195 0.000 0.984 152 D HN 0.192 nan 8.370 nan 0.000 0.505 153 V N 2.119 122.165 119.914 0.220 0.000 2.569 153 V HA 0.310 4.421 4.120 -0.015 0.000 0.301 153 V C -0.742 175.441 176.094 0.149 0.000 1.044 153 V CA -0.806 61.597 62.300 0.171 0.000 0.874 153 V CB 2.268 34.083 31.823 -0.014 0.000 1.002 153 V HN 0.059 nan 8.190 nan 0.000 0.424 154 I N 6.133 126.789 120.570 0.144 0.000 2.382 154 I HA 0.470 4.631 4.170 -0.015 0.000 0.286 154 I C -0.447 175.707 176.117 0.062 0.000 1.002 154 I CA -0.373 60.978 61.300 0.084 0.000 1.135 154 I CB 1.630 39.677 38.000 0.080 0.000 1.288 154 I HN 0.385 nan 8.210 nan 0.000 0.448 155 L N 7.147 128.383 121.223 0.021 0.000 2.272 155 L HA 0.578 4.909 4.340 -0.015 0.000 0.289 155 L C -0.306 176.557 176.870 -0.012 0.000 1.032 155 L CA -0.460 54.384 54.840 0.007 0.000 0.810 155 L CB 1.637 43.688 42.059 -0.013 0.000 1.205 155 L HN 0.428 nan 8.230 nan 0.000 0.422 156 I N 2.998 123.564 120.570 -0.007 0.000 2.411 156 I HA 0.258 4.419 4.170 -0.015 0.000 0.284 156 I C -0.043 176.064 176.117 -0.017 0.000 1.012 156 I CA -0.327 60.967 61.300 -0.010 0.000 1.119 156 I CB 1.947 39.950 38.000 0.006 0.000 1.261 156 I HN 0.629 nan 8.210 nan 0.000 0.448 157 E N 5.136 125.319 120.200 -0.028 0.000 2.227 157 E HA 0.288 4.630 4.350 -0.015 0.000 0.282 157 E C 0.075 176.669 176.600 -0.010 0.000 1.015 157 E CA -0.496 55.884 56.400 -0.033 0.000 0.823 157 E CB 1.200 30.877 29.700 -0.039 0.000 1.081 157 E HN 0.671 nan 8.360 nan 0.000 0.396 163 Q N 1.227 121.028 119.800 0.001 0.000 2.188 163 Q HA 0.425 4.756 4.340 -0.015 0.000 0.212 163 Q C 1.827 177.823 176.000 -0.007 0.000 0.846 163 Q CA 1.083 56.884 55.803 -0.004 0.000 0.989 163 Q CB 0.293 29.025 28.738 -0.010 0.000 1.114 163 Q HN 0.374 nan 8.270 nan 0.000 0.488 164 S N -0.371 115.331 115.700 0.004 0.000 2.419 164 S HA -0.191 4.270 4.470 -0.015 0.000 0.235 164 S C 1.131 175.746 174.600 0.024 0.000 1.019 164 S CA 1.608 59.814 58.200 0.010 0.000 0.982 164 S CB 0.168 63.379 63.200 0.019 0.000 0.789 164 S HN 0.520 nan 8.310 nan 0.000 0.490 165 E N 0.443 120.664 120.200 0.035 0.000 2.047 165 E HA -0.037 4.304 4.350 -0.015 0.000 0.191 165 E C 2.182 178.685 176.600 -0.161 0.000 0.987 165 E CA 1.251 57.683 56.400 0.054 0.000 0.799 165 E CB -0.413 29.346 29.700 0.098 0.000 0.752 165 E HN 0.333 nan 8.360 nan 0.000 0.449 166 V N 1.273 121.100 119.914 -0.144 0.000 2.287 166 V HA -0.312 3.799 4.120 -0.015 0.000 0.248 166 V C 2.255 178.257 176.094 -0.153 0.000 1.053 166 V CA 1.902 64.096 62.300 -0.178 0.000 1.027 166 V CB -0.884 30.882 31.823 -0.095 0.000 0.646 166 V HN 0.374 nan 8.190 nan 0.000 0.447 167 A N -0.248 122.516 122.820 -0.093 0.000 1.892 167 A HA -0.198 4.113 4.320 -0.015 0.000 0.218 167 A C 2.386 179.902 177.584 -0.113 0.000 1.188 167 A CA 2.400 54.383 52.037 -0.091 0.000 0.631 167 A CB -0.776 18.187 19.000 -0.063 0.000 0.822 167 A HN 0.353 nan 8.150 nan 0.000 0.447 168 V N -0.266 119.612 119.914 -0.060 0.000 2.358 168 V HA -0.202 3.909 4.120 -0.015 0.000 0.246 168 V C 3.053 179.142 176.094 -0.007 0.000 1.047 168 V CA 1.793 64.103 62.300 0.017 0.000 1.035 168 V CB -1.300 30.634 31.823 0.185 0.000 0.658 168 V HN 0.630 nan 8.190 nan 0.000 0.452 169 A N 0.524 123.188 122.820 -0.260 0.000 1.948 169 A HA -0.253 4.058 4.320 -0.015 0.000 0.220 169 A C 1.919 179.396 177.584 -0.177 0.000 1.177 169 A CA 2.191 53.979 52.037 -0.416 0.000 0.636 169 A CB -0.684 17.806 19.000 -0.850 0.000 0.815 169 A HN 0.581 nan 8.150 nan 0.000 0.449 170 N N -0.713 117.892 118.700 -0.157 0.000 2.521 170 N HA 0.002 4.733 4.740 -0.015 0.000 0.188 170 N C 1.192 176.631 175.510 -0.117 0.000 1.146 170 N CA 1.265 54.249 53.050 -0.110 0.000 0.893 170 N CB -0.012 38.423 38.487 -0.086 0.000 0.975 170 N HN 0.851 nan 8.380 nan 0.000 0.451 171 M N -1.859 117.672 119.600 -0.115 0.000 2.416 171 M HA 0.268 4.739 4.480 -0.015 0.000 0.337 171 M C -0.388 175.878 176.300 -0.058 0.000 1.074 171 M CA -0.324 54.899 55.300 -0.128 0.000 0.968 171 M CB 0.584 33.064 32.600 -0.200 0.000 1.472 171 M HN -0.207 nan 8.290 nan 0.000 0.539 172 V N -3.161 116.746 119.914 -0.011 0.000 3.102 172 V HA 0.569 4.680 4.120 -0.015 0.000 0.312 172 V C -0.238 175.877 176.094 0.034 0.000 1.135 172 V CA -0.567 61.761 62.300 0.046 0.000 1.022 172 V CB 1.980 33.876 31.823 0.122 0.000 1.056 172 V HN 0.218 nan 8.190 nan 0.000 0.436 173 D N 0.510 120.963 120.400 0.089 0.000 2.271 173 D HA 0.130 4.761 4.640 -0.015 0.000 0.206 173 D C 0.373 176.827 176.300 0.258 0.000 0.967 173 D CA 1.205 55.246 54.000 0.068 0.000 0.867 173 D CB 0.560 41.424 40.800 0.106 0.000 0.960 173 D HN 0.717 nan 8.370 nan 0.000 0.509 174 T N 0.730 115.432 114.554 0.246 0.000 2.949 174 T HA 0.274 4.615 4.350 -0.015 0.000 0.300 174 T C -1.143 173.600 174.700 0.072 0.000 0.988 174 T CA -0.576 61.583 62.100 0.099 0.000 0.993 174 T CB 1.419 70.306 68.868 0.031 0.000 0.984 174 T HN -0.158 nan 8.240 nan 0.000 0.442 175 F N 4.464 124.360 119.950 -0.091 0.000 2.391 175 F HA 0.625 5.143 4.527 -0.014 0.000 0.359 175 F C -0.443 175.322 175.800 -0.059 0.000 1.122 175 F CA -0.700 57.268 58.000 -0.054 0.000 1.120 175 F CB 0.710 39.695 39.000 -0.025 0.000 1.142 175 F HN 0.256 nan 8.300 nan 0.000 0.483 176 V N 7.451 127.077 119.914 -0.480 0.000 2.435 176 V HA 0.358 4.469 4.120 -0.015 0.000 0.290 176 V C -0.732 175.103 176.094 -0.431 0.000 1.030 176 V CA -0.834 61.269 62.300 -0.327 0.000 0.881 176 V CB 1.473 33.164 31.823 -0.220 0.000 0.983 176 V HN 0.595 nan 8.190 nan 0.000 0.445 177 L N 6.365 127.465 121.223 -0.205 0.000 2.305 177 L HA 0.646 4.978 4.340 -0.015 0.000 0.284 177 L C -0.864 175.957 176.870 -0.083 0.000 1.013 177 L CA -0.095 54.665 54.840 -0.134 0.000 0.819 177 L CB 1.233 43.288 42.059 -0.005 0.000 1.227 177 L HN 0.464 nan 8.230 nan 0.000 0.417 178 L N 4.751 125.923 121.223 -0.085 0.000 2.307 178 L HA 0.760 5.092 4.340 -0.015 0.000 0.282 178 L C 0.604 177.452 176.870 -0.038 0.000 1.051 178 L CA 0.205 55.010 54.840 -0.057 0.000 0.804 178 L CB 1.690 43.712 42.059 -0.062 0.000 1.197 178 L HN 0.878 nan 8.230 nan 0.000 0.431 179 T N 0.324 114.860 114.554 -0.030 0.000 2.804 179 T HA 0.715 5.056 4.350 -0.015 0.000 0.290 179 T C -0.439 174.241 174.700 -0.033 0.000 1.099 179 T CA -0.930 61.155 62.100 -0.025 0.000 1.011 179 T CB 0.703 69.561 68.868 -0.016 0.000 1.291 179 T HN 0.267 nan 8.240 nan 0.000 0.523 180 L N 1.071 122.271 121.223 -0.038 0.000 2.325 180 L HA 0.631 4.962 4.340 -0.015 0.000 0.279 180 L C 1.021 177.851 176.870 -0.066 0.000 1.054 180 L CA -1.181 53.625 54.840 -0.056 0.000 0.804 180 L CB 1.376 43.397 42.059 -0.064 0.000 1.200 180 L HN 1.002 nan 8.230 nan 0.000 0.436 181 A N 3.444 126.214 122.820 -0.084 0.000 2.916 181 A HA 0.215 4.526 4.320 -0.015 0.000 0.254 181 A C 0.064 177.567 177.584 -0.135 0.000 1.544 181 A CA -0.198 51.789 52.037 -0.083 0.000 1.224 181 A CB -0.768 18.195 19.000 -0.062 0.000 1.012 181 A HN 0.481 nan 8.150 nan 0.000 0.636 182 R N 0.319 120.742 120.500 -0.128 0.000 2.360 182 R HA 0.287 4.618 4.340 -0.015 0.000 0.318 182 R C -0.354 175.902 176.300 -0.073 0.000 0.950 182 R CA -0.326 55.690 56.100 -0.141 0.000 0.837 182 R CB 0.693 30.893 30.300 -0.166 0.000 1.165 182 R HN 0.253 nan 8.270 nan 0.000 0.458 183 T N 0.838 115.361 114.554 -0.052 0.000 2.871 183 T HA 0.203 4.545 4.350 -0.015 0.000 0.296 183 T C 1.316 176.003 174.700 -0.022 0.000 0.998 183 T CA 2.000 64.086 62.100 -0.024 0.000 1.162 183 T CB 0.179 69.042 68.868 -0.007 0.000 0.947 183 T HN 0.811 nan 8.240 nan 0.000 0.536 184 G N 4.335 113.125 108.800 -0.015 0.000 2.189 184 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.267 184 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.267 184 G C 0.479 175.369 174.900 -0.016 0.000 0.975 184 G CA 0.509 45.601 45.100 -0.012 0.000 0.644 184 G HN 0.737 nan 8.290 nan 0.000 0.537 185 D N -0.682 119.703 120.400 -0.026 0.000 2.582 185 D HA 0.199 4.830 4.640 -0.015 0.000 0.246 185 D C 1.985 178.268 176.300 -0.029 0.000 1.334 185 D CA 0.067 54.050 54.000 -0.027 0.000 0.805 185 D CB 0.297 41.075 40.800 -0.038 0.000 1.087 185 D HN 0.382 nan 8.370 nan 0.000 0.499 186 Q N 0.012 119.796 119.800 -0.026 0.000 2.152 186 Q HA -0.055 4.277 4.340 -0.015 0.000 0.206 186 Q C 1.690 177.681 176.000 -0.015 0.000 0.985 186 Q CA 1.183 56.972 55.803 -0.024 0.000 0.863 186 Q CB -0.020 28.708 28.738 -0.016 0.000 0.904 186 Q HN 0.328 nan 8.270 nan 0.000 0.422 187 L N 0.150 121.369 121.223 -0.006 0.000 2.700 187 L HA 0.178 4.509 4.340 -0.015 0.000 0.234 187 L C 0.402 177.273 176.870 0.001 0.000 1.156 187 L CA -0.460 54.381 54.840 0.002 0.000 0.946 187 L CB -0.080 41.986 42.059 0.011 0.000 1.216 187 L HN 0.213 nan 8.230 nan 0.000 0.493 188 Q N 1.519 121.315 119.800 -0.007 0.000 2.320 188 Q HA 0.009 4.340 4.340 -0.015 0.000 0.311 188 Q C 1.250 177.248 176.000 -0.003 0.000 1.083 188 Q CA 1.241 57.040 55.803 -0.007 0.000 1.001 188 Q CB 0.273 29.003 28.738 -0.014 0.000 1.074 188 Q HN 0.504 nan 8.270 nan 0.000 0.379 189 G N 3.878 112.679 108.800 0.002 0.000 2.195 189 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.246 189 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.246 189 G C 0.070 174.976 174.900 0.010 0.000 0.984 189 G CA -0.068 45.034 45.100 0.004 0.000 0.633 189 G HN 0.593 nan 8.290 nan 0.000 0.525 190 I N 1.997 122.575 120.570 0.013 0.000 2.441 190 I HA 0.485 4.646 4.170 -0.015 0.000 0.287 190 I C 1.256 177.388 176.117 0.024 0.000 1.049 190 I CA -0.019 61.295 61.300 0.023 0.000 1.381 190 I CB 0.493 38.510 38.000 0.028 0.000 1.409 190 I HN 0.431 nan 8.210 nan 0.000 0.523 191 K N 7.214 127.631 120.400 0.028 0.000 2.489 191 K HA 0.043 4.354 4.320 -0.015 0.000 0.278 191 K C 0.502 177.117 176.600 0.025 0.000 1.000 191 K CA -0.357 55.945 56.287 0.024 0.000 1.012 191 K CB -0.261 32.254 32.500 0.025 0.000 0.903 191 K HN 0.714 nan 8.250 nan 0.000 0.485 192 K N 0.698 121.109 120.400 0.019 0.000 2.355 192 K HA 0.477 4.788 4.320 -0.015 0.000 0.270 192 K C 1.099 177.708 176.600 0.016 0.000 1.003 192 K CA 0.180 56.477 56.287 0.017 0.000 0.957 192 K CB 0.875 33.382 32.500 0.011 0.000 0.939 192 K HN 1.130 nan 8.250 nan 0.000 0.482 193 G N 0.695 109.505 108.800 0.017 0.000 2.284 193 G HA2 -0.313 3.638 3.960 -0.015 0.000 0.230 193 G HA3 -0.313 3.638 3.960 -0.015 0.000 0.230 193 G C 0.841 175.757 174.900 0.027 0.000 1.021 193 G CA 0.103 45.211 45.100 0.013 0.000 0.619 193 G HN 0.416 nan 8.290 nan 0.000 0.510 194 V N 1.420 121.360 119.914 0.045 0.000 2.490 194 V HA -0.101 4.011 4.120 -0.015 0.000 0.250 194 V C 2.699 178.864 176.094 0.119 0.000 1.061 194 V CA 2.280 64.629 62.300 0.080 0.000 1.064 194 V CB -0.381 31.505 31.823 0.105 0.000 0.670 194 V HN 0.521 nan 8.190 nan 0.000 0.461 195 L N 0.498 121.779 121.223 0.096 0.000 2.127 195 L HA -0.162 4.169 4.340 -0.015 0.000 0.211 195 L C 2.129 179.087 176.870 0.146 0.000 1.089 195 L CA 1.942 56.850 54.840 0.114 0.000 0.757 195 L CB -0.542 41.568 42.059 0.084 0.000 0.899 195 L HN 0.285 nan 8.230 nan 0.000 0.434 196 E N -0.852 119.413 120.200 0.109 0.000 2.482 196 E HA -0.023 4.319 4.350 -0.015 0.000 0.196 196 E C 2.026 178.709 176.600 0.139 0.000 1.047 196 E CA 0.478 56.952 56.400 0.124 0.000 0.869 196 E CB -0.137 29.580 29.700 0.029 0.000 0.836 196 E HN 0.510 nan 8.360 nan 0.000 0.520 197 L N -0.082 121.203 121.223 0.104 0.000 2.270 197 L HA 0.153 4.484 4.340 -0.015 0.000 0.210 197 L C 0.998 177.996 176.870 0.213 0.000 1.104 197 L CA -0.098 54.760 54.840 0.029 0.000 0.804 197 L CB -0.179 41.741 42.059 -0.232 0.000 0.937 197 L HN 0.003 nan 8.230 nan 0.000 0.450 198 A N 0.328 123.336 122.820 0.314 0.000 2.454 198 A HA 0.032 4.343 4.320 -0.015 0.000 0.260 198 A C 0.589 178.296 177.584 0.206 0.000 1.106 198 A CA -0.258 51.971 52.037 0.320 0.000 0.780 198 A CB 0.093 19.216 19.000 0.204 0.000 1.044 198 A HN 0.189 nan 8.150 nan 0.000 0.498 199 D N 1.376 121.861 120.400 0.143 0.000 2.289 199 D HA 0.097 4.728 4.640 -0.015 0.000 0.207 199 D C 0.269 176.668 176.300 0.164 0.000 0.966 199 D CA 1.346 55.384 54.000 0.064 0.000 0.868 199 D CB 0.220 40.781 40.800 -0.398 0.000 0.943 199 D HN 0.583 nan 8.370 nan 0.000 0.514 200 I N 0.636 121.242 120.570 0.061 0.000 2.656 200 I HA 0.215 4.376 4.170 -0.015 0.000 0.292 200 I C -0.961 175.161 176.117 0.009 0.000 1.144 200 I CA -0.888 60.442 61.300 0.049 0.000 1.038 200 I CB 3.122 41.133 38.000 0.018 0.000 1.244 200 I HN -0.414 nan 8.210 nan 0.000 0.420 201 V N 6.030 125.946 119.914 0.002 0.000 2.495 201 V HA 0.499 4.610 4.120 -0.015 0.000 0.298 201 V C -0.382 175.702 176.094 -0.016 0.000 1.031 201 V CA -0.686 61.611 62.300 -0.006 0.000 0.871 201 V CB 2.325 34.152 31.823 0.007 0.000 0.988 201 V HN 0.428 nan 8.190 nan 0.000 0.432 202 V N 5.204 125.104 119.914 -0.024 0.000 2.443 202 V HA 0.328 4.439 4.120 -0.015 0.000 0.293 202 V C -0.103 175.976 176.094 -0.024 0.000 1.021 202 V CA -0.672 61.614 62.300 -0.024 0.000 0.848 202 V CB 2.008 33.813 31.823 -0.030 0.000 0.998 202 V HN 0.604 nan 8.190 nan 0.000 0.424 203 V N 5.341 125.243 119.914 -0.019 0.000 2.381 203 V HA 0.172 4.284 4.120 -0.015 0.000 0.257 203 V C 0.469 176.549 176.094 -0.023 0.000 1.057 203 V CA 0.115 62.402 62.300 -0.022 0.000 1.013 203 V CB 0.704 32.517 31.823 -0.017 0.000 1.069 203 V HN 0.921 nan 8.190 nan 0.000 0.484 204 N N 3.804 122.486 118.700 -0.030 0.000 2.482 204 N HA 0.337 5.069 4.740 -0.015 0.000 0.279 204 N C 0.237 175.727 175.510 -0.034 0.000 1.182 204 N CA -0.551 52.482 53.050 -0.029 0.000 0.969 204 N CB 0.621 39.090 38.487 -0.030 0.000 1.201 204 N HN 0.553 nan 8.380 nan 0.000 0.523 205 K N -0.785 119.597 120.400 -0.030 0.000 3.192 205 K HA -0.172 4.140 4.320 -0.015 0.000 0.278 205 K C -0.713 175.864 176.600 -0.038 0.000 1.164 205 K CA 0.691 56.960 56.287 -0.030 0.000 0.816 205 K CB -2.165 30.319 32.500 -0.028 0.000 1.256 205 K HN 0.491 nan 8.250 nan 0.000 0.497 206 A N 1.506 124.301 122.820 -0.041 0.000 3.046 206 A HA 0.245 4.556 4.320 -0.015 0.000 0.259 206 A C 0.228 177.697 177.584 -0.192 0.000 1.843 206 A CA 0.759 52.762 52.037 -0.057 0.000 1.451 206 A CB -0.591 18.409 19.000 -0.000 0.000 1.025 206 A HN 0.494 nan 8.150 nan 0.000 0.625 207 D N -2.359 117.881 120.400 -0.267 0.000 2.798 207 D HA 0.655 5.286 4.640 -0.015 0.000 0.308 207 D C 0.848 176.925 176.300 -0.372 0.000 1.187 207 D CA 0.011 53.717 54.000 -0.491 0.000 1.033 207 D CB -0.076 40.611 40.800 -0.188 0.000 1.445 207 D HN 0.820 nan 8.370 nan 0.000 0.550 208 G N -0.395 108.241 108.800 -0.273 0.000 2.629 208 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.313 208 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.313 208 G C 1.104 175.896 174.900 -0.179 0.000 1.217 208 G CA 2.117 47.130 45.100 -0.144 0.000 0.994 208 G HN 1.261 nan 8.290 nan 0.000 0.549 209 E N 0.006 120.026 120.200 -0.300 0.000 2.482 209 E HA 0.206 4.547 4.350 -0.015 0.000 0.196 209 E C 1.601 177.916 176.600 -0.476 0.000 1.047 209 E CA 1.714 57.874 56.400 -0.401 0.000 0.869 209 E CB -0.428 28.978 29.700 -0.489 0.000 0.836 209 E HN 0.936 nan 8.360 nan 0.000 0.520 210 H N -1.558 117.463 119.070 -0.083 0.000 2.481 210 H HA 0.369 4.916 4.556 -0.015 0.000 0.273 210 H C 0.831 176.113 175.328 -0.077 0.000 1.145 210 H CA -0.378 55.630 56.048 -0.066 0.000 0.964 210 H CB 0.208 29.930 29.762 -0.067 0.000 1.722 210 H HN 0.487 nan 8.280 nan 0.000 0.573 211 H N 0.968 120.072 119.070 0.057 0.000 2.299 211 H HA -0.119 4.428 4.556 -0.015 0.000 0.302 211 H C 2.513 177.865 175.328 0.039 0.000 1.078 211 H CA 2.281 58.352 56.048 0.039 0.000 1.323 211 H CB 0.471 30.242 29.762 0.014 0.000 1.381 211 H HN 0.492 nan 8.280 nan 0.000 0.498 212 K N 1.145 121.641 120.400 0.161 0.000 2.062 212 K HA -0.104 4.207 4.320 -0.015 0.000 0.205 212 K C 1.970 178.618 176.600 0.080 0.000 1.051 212 K CA 1.529 57.874 56.287 0.097 0.000 0.941 212 K CB -0.613 31.928 32.500 0.068 0.000 0.719 212 K HN 0.507 nan 8.250 nan 0.000 0.440 213 E N -0.062 120.196 120.200 0.096 0.000 2.097 213 E HA -0.179 4.162 4.350 -0.015 0.000 0.196 213 E C 2.295 178.923 176.600 0.047 0.000 1.000 213 E CA 1.132 57.580 56.400 0.079 0.000 0.804 213 E CB -0.255 29.520 29.700 0.124 0.000 0.740 213 E HN 0.545 nan 8.360 nan 0.000 0.454 214 A N 0.803 123.657 122.820 0.056 0.000 1.948 214 A HA -0.281 4.030 4.320 -0.015 0.000 0.220 214 A C 2.422 180.022 177.584 0.027 0.000 1.177 214 A CA 2.662 54.716 52.037 0.029 0.000 0.636 214 A CB -1.148 17.873 19.000 0.035 0.000 0.815 214 A HN 0.391 nan 8.150 nan 0.000 0.449 215 R N -0.352 120.172 120.500 0.040 0.000 2.090 215 R HA 0.210 4.542 4.340 -0.015 0.000 0.228 215 R C 2.107 178.418 176.300 0.018 0.000 1.110 215 R CA 1.482 57.600 56.100 0.030 0.000 0.973 215 R CB -1.319 29.002 30.300 0.035 0.000 0.869 215 R HN 0.580 nan 8.270 nan 0.000 0.440 216 L N -0.177 121.058 121.223 0.020 0.000 2.179 216 L HA 0.080 4.411 4.340 -0.015 0.000 0.208 216 L C 3.117 179.990 176.870 0.005 0.000 1.096 216 L CA 0.974 55.822 54.840 0.013 0.000 0.779 216 L CB -0.337 41.732 42.059 0.017 0.000 0.922 216 L HN 0.486 nan 8.230 nan 0.000 0.443 217 A N 0.100 122.922 122.820 0.002 0.000 1.929 217 A HA -0.075 4.236 4.320 -0.015 0.000 0.216 217 A C 2.513 180.093 177.584 -0.007 0.000 1.176 217 A CA 1.469 53.501 52.037 -0.007 0.000 0.628 217 A CB -0.478 18.510 19.000 -0.020 0.000 0.816 217 A HN 0.365 nan 8.150 nan 0.000 0.444 218 A N -0.302 122.516 122.820 -0.004 0.000 1.873 218 A HA 0.041 4.352 4.320 -0.015 0.000 0.215 218 A C 2.481 180.060 177.584 -0.007 0.000 1.186 218 A CA 2.446 54.479 52.037 -0.006 0.000 0.616 218 A CB -0.892 18.105 19.000 -0.004 0.000 0.823 218 A HN 0.678 nan 8.150 nan 0.000 0.442 219 R N 0.153 120.650 120.500 -0.004 0.000 2.092 219 R HA -0.089 4.242 4.340 -0.015 0.000 0.231 219 R C 1.892 178.190 176.300 -0.003 0.000 1.119 219 R CA 1.760 57.857 56.100 -0.005 0.000 0.970 219 R CB -1.281 29.017 30.300 -0.003 0.000 0.864 219 R HN 0.800 nan 8.270 nan 0.000 0.440 220 E N 0.371 120.571 120.200 -0.001 0.000 2.058 220 E HA -0.108 4.233 4.350 -0.015 0.000 0.194 220 E C 2.153 178.755 176.600 0.003 0.000 0.997 220 E CA 1.386 57.787 56.400 0.001 0.000 0.801 220 E CB -0.172 29.528 29.700 -0.000 0.000 0.746 220 E HN 0.517 nan 8.360 nan 0.000 0.450 221 L N 0.568 121.791 121.223 0.002 0.000 2.056 221 L HA -0.164 4.168 4.340 -0.015 0.000 0.207 221 L C 2.568 179.443 176.870 0.008 0.000 1.078 221 L CA 0.731 55.575 54.840 0.007 0.000 0.749 221 L CB -0.227 41.834 42.059 0.005 0.000 0.901 221 L HN 0.048 nan 8.230 nan 0.000 0.433 222 S N -0.036 115.661 115.700 -0.005 0.000 2.380 222 S HA -0.288 4.173 4.470 -0.015 0.000 0.229 222 S C 2.157 176.757 174.600 0.001 0.000 1.043 222 S CA 1.451 59.643 58.200 -0.013 0.000 1.038 222 S CB -0.394 62.790 63.200 -0.027 0.000 0.872 222 S HN 0.540 nan 8.310 nan 0.000 0.456 223 A N 1.336 124.158 122.820 0.004 0.000 1.902 223 A HA 0.082 4.393 4.320 -0.015 0.000 0.217 223 A C 2.358 179.954 177.584 0.020 0.000 1.181 223 A CA 1.801 53.843 52.037 0.009 0.000 0.623 223 A CB -1.061 17.942 19.000 0.006 0.000 0.818 223 A HN 0.541 nan 8.150 nan 0.000 0.443 224 A N -0.453 122.382 122.820 0.025 0.000 1.898 224 A HA -0.015 4.296 4.320 -0.015 0.000 0.216 224 A C 2.066 179.690 177.584 0.067 0.000 1.181 224 A CA 1.454 53.512 52.037 0.036 0.000 0.620 224 A CB -0.552 18.467 19.000 0.031 0.000 0.819 224 A HN 0.442 nan 8.150 nan 0.000 0.442 225 I N -0.844 119.778 120.570 0.086 0.000 2.286 225 I HA -0.224 3.938 4.170 -0.015 0.000 0.248 225 I C 2.653 178.891 176.117 0.202 0.000 1.115 225 I CA 1.181 62.587 61.300 0.175 0.000 1.392 225 I CB -0.168 37.886 38.000 0.089 0.000 1.065 225 I HN 0.245 nan 8.210 nan 0.000 0.418 226 R N 0.143 120.699 120.500 0.092 0.000 2.096 226 R HA -0.100 4.231 4.340 -0.015 0.000 0.235 226 R C 2.178 178.520 176.300 0.069 0.000 1.127 226 R CA 1.216 57.359 56.100 0.071 0.000 0.968 226 R CB -0.158 30.157 30.300 0.026 0.000 0.861 226 R HN 0.348 nan 8.270 nan 0.000 0.440 227 L N -0.195 121.059 121.223 0.051 0.000 2.156 227 L HA -0.095 4.237 4.340 -0.015 0.000 0.208 227 L C 1.982 178.856 176.870 0.005 0.000 1.095 227 L CA 1.030 55.885 54.840 0.025 0.000 0.770 227 L CB -0.244 41.822 42.059 0.012 0.000 0.914 227 L HN 0.184 nan 8.230 nan 0.000 0.439 228 I N -1.745 118.829 120.570 0.007 0.000 3.059 228 I HA -0.181 3.980 4.170 -0.015 0.000 0.270 228 I C 0.339 176.273 176.117 -0.304 0.000 1.238 228 I CA 0.917 62.136 61.300 -0.135 0.000 1.478 228 I CB 0.166 38.077 38.000 -0.149 0.000 1.097 228 I HN 0.117 nan 8.210 nan 0.000 0.455 229 Y N 0.678 120.980 120.300 0.003 0.000 2.516 229 Y HA 0.270 4.811 4.550 -0.015 0.000 0.341 229 Y C -1.554 174.345 175.900 -0.003 0.000 0.912 229 Y CA -1.751 56.352 58.100 0.006 0.000 1.167 229 Y CB -0.086 38.377 38.460 0.004 0.000 1.195 229 Y HN 0.004 nan 8.280 nan 0.000 0.610 230 P HA -0.129 nan 4.420 nan 0.000 0.218 230 P C 0.375 177.707 177.300 0.054 0.000 1.149 230 P CA 1.440 64.574 63.100 0.058 0.000 0.817 230 P CB 0.397 32.112 31.700 0.025 0.000 0.785 231 R N -0.455 120.082 120.500 0.060 0.000 2.659 231 R HA 0.213 4.544 4.340 -0.015 0.000 0.418 231 R C 0.097 176.437 176.300 0.068 0.000 1.076 231 R CA -0.444 55.686 56.100 0.050 0.000 1.093 231 R CB 0.245 30.565 30.300 0.033 0.000 1.400 231 R HN 0.061 nan 8.270 nan 0.000 0.583 232 E N 1.072 121.336 120.200 0.105 0.000 2.415 232 E HA 0.063 4.404 4.350 -0.015 0.000 0.263 232 E C 0.474 177.117 176.600 0.071 0.000 0.995 232 E CA 0.238 56.712 56.400 0.124 0.000 0.915 232 E CB 1.138 30.951 29.700 0.189 0.000 0.951 232 E HN 0.291 nan 8.360 nan 0.000 0.449 233 A N 4.346 127.210 122.820 0.074 0.000 2.108 233 A HA 0.110 4.421 4.320 -0.015 0.000 0.206 233 A C 1.446 179.071 177.584 0.069 0.000 1.212 233 A CA 0.210 52.279 52.037 0.054 0.000 0.843 233 A CB -0.177 18.851 19.000 0.048 0.000 0.902 233 A HN 0.614 nan 8.150 nan 0.000 0.477 234 L N -2.042 119.247 121.223 0.109 0.000 2.121 234 L HA 0.262 4.594 4.340 -0.015 0.000 0.200 234 L C 0.477 177.505 176.870 0.264 0.000 1.077 234 L CA 1.187 56.120 54.840 0.157 0.000 0.766 234 L CB 0.126 42.277 42.059 0.153 0.000 0.931 234 L HN 0.549 nan 8.230 nan 0.000 0.452 235 W N 1.787 123.096 121.300 0.014 0.000 2.740 235 W HA 0.318 4.970 4.660 -0.014 0.000 0.316 235 W C -0.887 175.567 176.519 -0.108 0.000 1.020 235 W CA -0.815 56.526 57.345 -0.006 0.000 1.278 235 W CB 0.802 30.302 29.460 0.067 0.000 1.224 235 W HN -0.081 nan 8.180 nan 0.000 0.393 236 R N 6.528 126.723 120.500 -0.507 0.000 2.202 236 R HA 0.305 4.637 4.340 -0.015 0.000 0.334 236 R C -2.119 173.689 176.300 -0.821 0.000 1.036 236 R CA -1.525 54.212 56.100 -0.605 0.000 0.878 236 R CB 0.976 31.059 30.300 -0.362 0.000 1.067 236 R HN 0.076 nan 8.270 nan 0.000 0.457 237 P HA -0.050 nan 4.420 nan 0.000 0.253 237 P C -2.348 174.751 177.300 -0.335 0.000 1.159 237 P CA -0.371 62.499 63.100 -0.383 0.000 0.779 237 P CB 0.158 31.718 31.700 -0.232 0.000 0.745 238 P HA 0.091 nan 4.420 nan 0.000 0.274 238 P C -0.744 176.493 177.300 -0.105 0.000 1.237 238 P CA 0.038 62.998 63.100 -0.234 0.000 0.793 238 P CB 0.832 32.391 31.700 -0.234 0.000 0.977 239 V N 2.744 122.611 119.914 -0.079 0.000 2.409 239 V HA 0.347 4.458 4.120 -0.015 0.000 0.291 239 V C 0.394 176.469 176.094 -0.032 0.000 1.020 239 V CA -0.494 61.781 62.300 -0.043 0.000 0.848 239 V CB 1.092 32.895 31.823 -0.035 0.000 0.990 239 V HN 0.354 nan 8.190 nan 0.000 0.430 240 L N 3.753 124.964 121.223 -0.019 0.000 2.313 240 L HA 0.788 5.119 4.340 -0.015 0.000 0.268 240 L C 0.521 177.386 176.870 -0.007 0.000 1.010 240 L CA -0.600 54.233 54.840 -0.011 0.000 0.814 240 L CB 2.288 44.345 42.059 -0.005 0.000 1.304 240 L HN 0.717 nan 8.230 nan 0.000 0.441 241 T N -0.885 113.670 114.554 0.001 0.000 2.945 241 T HA 0.759 5.100 4.350 -0.015 0.000 0.286 241 T C -0.525 174.179 174.700 0.007 0.000 1.025 241 T CA -0.722 61.382 62.100 0.006 0.000 1.039 241 T CB 2.231 71.112 68.868 0.021 0.000 1.068 241 T HN 0.645 nan 8.240 nan 0.000 0.497 242 M N 1.321 120.924 119.600 0.004 0.000 2.534 242 M HA 0.530 5.001 4.480 -0.015 0.000 0.280 242 M C -1.559 174.740 176.300 -0.002 0.000 1.217 242 M CA -0.502 54.799 55.300 0.000 0.000 0.893 242 M CB 2.379 34.972 32.600 -0.011 0.000 1.730 242 M HN 0.749 nan 8.290 nan 0.000 0.483 243 S N 2.159 117.860 115.700 0.002 0.000 2.395 243 S HA 0.621 5.082 4.470 -0.015 0.000 0.207 243 S C 0.387 174.985 174.600 -0.004 0.000 1.454 243 S CA 0.149 58.347 58.200 -0.003 0.000 1.211 243 S CB 0.777 63.981 63.200 0.007 0.000 1.093 243 S HN 0.807 nan 8.310 nan 0.000 0.472 244 A N 3.207 126.020 122.820 -0.012 0.000 2.067 244 A HA 0.052 4.363 4.320 -0.015 0.000 0.219 244 A C 1.926 179.505 177.584 -0.009 0.000 1.158 244 A CA 1.389 53.418 52.037 -0.014 0.000 0.661 244 A CB -0.341 18.647 19.000 -0.019 0.000 0.801 244 A HN 0.806 nan 8.150 nan 0.000 0.452 245 V N -0.180 119.730 119.914 -0.007 0.000 2.788 245 V HA -0.043 4.068 4.120 -0.015 0.000 0.251 245 V C 1.604 177.699 176.094 0.003 0.000 1.068 245 V CA 1.690 63.988 62.300 -0.003 0.000 1.090 245 V CB -0.323 31.497 31.823 -0.005 0.000 0.710 245 V HN 0.666 nan 8.190 nan 0.000 0.467 246 E N 0.126 120.330 120.200 0.007 0.000 2.437 246 E HA 0.228 4.569 4.350 -0.015 0.000 0.189 246 E C 1.350 177.960 176.600 0.017 0.000 1.054 246 E CA 0.438 56.848 56.400 0.017 0.000 0.874 246 E CB 0.044 29.762 29.700 0.029 0.000 1.011 246 E HN 0.640 nan 8.360 nan 0.000 0.474 247 G N 1.632 110.437 108.800 0.009 0.000 2.321 247 G HA2 -0.375 3.576 3.960 -0.015 0.000 0.287 247 G HA3 -0.375 3.576 3.960 -0.015 0.000 0.287 247 G C 0.289 175.191 174.900 0.004 0.000 1.018 247 G CA 0.764 45.867 45.100 0.005 0.000 0.855 247 G HN 0.436 nan 8.290 nan 0.000 0.507 248 R N -0.765 119.741 120.500 0.009 0.000 2.460 248 R HA 0.877 5.208 4.340 -0.015 0.000 0.303 248 R C 1.590 177.891 176.300 0.002 0.000 0.968 248 R CA 0.769 56.878 56.100 0.014 0.000 0.889 248 R CB 1.106 31.430 30.300 0.040 0.000 1.123 248 R HN 2.072 nan 8.270 nan 0.000 0.455 249 G N 0.510 109.305 108.800 -0.007 0.000 2.195 249 G HA2 -0.244 3.707 3.960 -0.015 0.000 0.246 249 G HA3 -0.244 3.707 3.960 -0.015 0.000 0.246 249 G C 1.053 175.930 174.900 -0.038 0.000 0.984 249 G CA 0.569 45.661 45.100 -0.012 0.000 0.633 249 G HN 0.649 nan 8.290 nan 0.000 0.525 250 L N 0.532 121.709 121.223 -0.078 0.000 2.109 250 L HA 0.262 4.594 4.340 -0.015 0.000 0.207 250 L C 3.221 179.949 176.870 -0.237 0.000 1.086 250 L CA 2.025 56.785 54.840 -0.132 0.000 0.760 250 L CB -0.486 41.476 42.059 -0.162 0.000 0.910 250 L HN 0.389 nan 8.230 nan 0.000 0.437 251 A N -0.143 122.490 122.820 -0.312 0.000 1.898 251 A HA -0.179 4.133 4.320 -0.015 0.000 0.216 251 A C 2.178 179.757 177.584 -0.008 0.000 1.181 251 A CA 1.553 53.398 52.037 -0.319 0.000 0.620 251 A CB -0.349 18.601 19.000 -0.083 0.000 0.819 251 A HN 0.344 nan 8.150 nan 0.000 0.442 252 E N -0.370 119.831 120.200 0.001 0.000 2.106 252 E HA -0.121 4.220 4.350 -0.015 0.000 0.192 252 E C 1.853 178.480 176.600 0.046 0.000 0.984 252 E CA 0.967 57.390 56.400 0.038 0.000 0.806 252 E CB -0.405 29.309 29.700 0.023 0.000 0.750 252 E HN 0.524 nan 8.360 nan 0.000 0.458 253 L N 0.123 121.366 121.223 0.034 0.000 2.012 253 L HA -0.149 4.183 4.340 -0.015 0.000 0.210 253 L C 2.002 178.924 176.870 0.087 0.000 1.073 253 L CA 1.872 56.741 54.840 0.048 0.000 0.748 253 L CB -0.638 41.445 42.059 0.040 0.000 0.891 253 L HN 0.348 nan 8.230 nan 0.000 0.431 254 W N 0.595 121.863 121.300 -0.054 0.000 2.358 254 W HA -0.214 4.437 4.660 -0.015 0.000 0.303 254 W C 1.982 178.533 176.519 0.054 0.000 1.208 254 W CA 1.638 58.980 57.345 -0.004 0.000 1.274 254 W CB -0.104 29.382 29.460 0.044 0.000 1.138 254 W HN 0.320 nan 8.180 nan 0.000 0.515 255 D N -0.315 120.157 120.400 0.120 0.000 2.158 255 D HA -0.186 4.445 4.640 -0.015 0.000 0.197 255 D C 2.022 178.319 176.300 -0.006 0.000 0.995 255 D CA 2.376 56.413 54.000 0.063 0.000 0.846 255 D CB -0.790 40.070 40.800 0.100 0.000 0.941 255 D HN 0.123 nan 8.370 nan 0.000 0.456 256 T N 0.291 114.850 114.554 0.008 0.000 2.857 256 T HA -0.042 4.299 4.350 -0.015 0.000 0.266 256 T C 2.292 176.995 174.700 0.006 0.000 1.048 256 T CA 0.430 62.580 62.100 0.084 0.000 1.139 256 T CB -0.204 68.730 68.868 0.110 0.000 0.874 256 T HN -0.019 nan 8.240 nan 0.000 0.455 257 V N 1.797 121.572 119.914 -0.232 0.000 2.295 257 V HA -0.194 3.917 4.120 -0.015 0.000 0.246 257 V C 2.513 178.411 176.094 -0.327 0.000 1.049 257 V CA 1.717 63.765 62.300 -0.421 0.000 1.024 257 V CB -0.607 30.649 31.823 -0.945 0.000 0.648 257 V HN 0.541 nan 8.190 nan 0.000 0.447 258 E N -0.142 119.783 120.200 -0.459 0.000 2.085 258 E HA -0.291 4.050 4.350 -0.015 0.000 0.194 258 E C 2.392 178.919 176.600 -0.121 0.000 0.994 258 E CA 1.426 57.688 56.400 -0.230 0.000 0.801 258 E CB -0.227 29.381 29.700 -0.153 0.000 0.743 258 E HN 0.326 nan 8.360 nan 0.000 0.453 259 R N 0.655 121.127 120.500 -0.045 0.000 2.105 259 R HA -0.184 4.147 4.340 -0.015 0.000 0.239 259 R C 2.249 178.503 176.300 -0.078 0.000 1.135 259 R CA 1.768 57.898 56.100 0.049 0.000 0.967 259 R CB -0.593 29.837 30.300 0.217 0.000 0.861 259 R HN 0.388 nan 8.270 nan 0.000 0.442 260 H N -0.198 118.597 119.070 -0.459 0.000 2.319 260 H HA -0.153 4.394 4.556 -0.015 0.000 0.299 260 H C 2.040 177.011 175.328 -0.596 0.000 1.092 260 H CA 2.037 57.400 56.048 -1.142 0.000 1.302 260 H CB 0.033 29.216 29.762 -0.965 0.000 1.373 260 H HN 0.192 nan 8.280 nan 0.000 0.497 261 R N 0.487 120.729 120.500 -0.430 0.000 2.092 261 R HA -0.110 4.221 4.340 -0.015 0.000 0.231 261 R C 2.385 178.433 176.300 -0.420 0.000 1.119 261 R CA 1.497 57.305 56.100 -0.486 0.000 0.970 261 R CB 0.062 30.026 30.300 -0.560 0.000 0.864 261 R HN 0.549 nan 8.270 nan 0.000 0.440 262 Q N -0.234 119.400 119.800 -0.276 0.000 2.079 262 Q HA -0.096 4.235 4.340 -0.015 0.000 0.200 262 Q C 2.209 178.124 176.000 -0.142 0.000 0.974 262 Q CA 1.573 57.264 55.803 -0.186 0.000 0.840 262 Q CB -0.036 28.644 28.738 -0.096 0.000 0.898 262 Q HN 0.139 nan 8.270 nan 0.000 0.430 263 V N 0.952 120.798 119.914 -0.114 0.000 2.287 263 V HA -0.269 3.843 4.120 -0.015 0.000 0.248 263 V C 2.117 178.155 176.094 -0.092 0.000 1.053 263 V CA 1.574 63.853 62.300 -0.035 0.000 1.027 263 V CB -0.444 31.462 31.823 0.137 0.000 0.646 263 V HN 0.259 nan 8.190 nan 0.000 0.447 264 L N -0.368 120.720 121.223 -0.225 0.000 2.056 264 L HA -0.111 4.220 4.340 -0.015 0.000 0.207 264 L C 2.594 179.421 176.870 -0.072 0.000 1.078 264 L CA 2.194 56.937 54.840 -0.163 0.000 0.749 264 L CB -1.257 40.643 42.059 -0.265 0.000 0.901 264 L HN 0.336 nan 8.230 nan 0.000 0.433 265 T N -0.845 113.630 114.554 -0.132 0.000 2.708 265 T HA -0.158 4.184 4.350 -0.015 0.000 0.266 265 T C 1.842 176.500 174.700 -0.069 0.000 1.037 265 T CA 1.369 63.397 62.100 -0.119 0.000 1.146 265 T CB -0.821 67.896 68.868 -0.252 0.000 0.865 265 T HN 0.511 nan 8.240 nan 0.000 0.435 266 G N 0.838 109.597 108.800 -0.068 0.000 2.485 266 G HA2 -0.037 3.915 3.960 -0.015 0.000 0.221 266 G HA3 -0.037 3.915 3.960 -0.015 0.000 0.221 266 G C 1.377 176.269 174.900 -0.013 0.000 1.115 266 G CA 0.862 45.942 45.100 -0.034 0.000 0.751 266 G HN 0.627 nan 8.290 nan 0.000 0.567 267 A N -0.749 122.065 122.820 -0.009 0.000 2.387 267 A HA 0.525 4.836 4.320 -0.015 0.000 0.234 267 A C 1.900 179.490 177.584 0.010 0.000 1.253 267 A CA 1.053 53.095 52.037 0.007 0.000 0.894 267 A CB -0.202 18.810 19.000 0.019 0.000 0.963 267 A HN 1.513 nan 8.150 nan 0.000 0.508 268 G N -0.285 108.520 108.800 0.008 0.000 2.155 268 G HA2 -0.257 3.695 3.960 -0.015 0.000 0.257 268 G HA3 -0.257 3.695 3.960 -0.015 0.000 0.257 268 G C 0.570 175.487 174.900 0.029 0.000 0.983 268 G CA 0.624 45.736 45.100 0.020 0.000 0.676 268 G HN 0.445 nan 8.290 nan 0.000 0.528 269 E N -1.009 119.206 120.200 0.026 0.000 2.442 269 E HA 0.174 4.515 4.350 -0.015 0.000 0.195 269 E C 1.795 178.402 176.600 0.012 0.000 1.030 269 E CA 0.179 56.586 56.400 0.012 0.000 0.869 269 E CB -0.021 29.677 29.700 -0.003 0.000 0.857 269 E HN 0.629 nan 8.360 nan 0.000 0.505 270 F N 2.306 122.184 119.950 -0.120 0.000 2.128 270 F HA -0.111 4.408 4.527 -0.014 0.000 0.295 270 F C 1.781 177.526 175.800 -0.091 0.000 1.100 270 F CA 1.369 59.282 58.000 -0.146 0.000 1.260 270 F CB 0.247 39.130 39.000 -0.195 0.000 1.009 270 F HN -0.134 nan 8.300 nan 0.000 0.476 271 D N 0.402 120.878 120.400 0.128 0.000 2.149 271 D HA -0.114 4.517 4.640 -0.015 0.000 0.201 271 D C 2.328 178.606 176.300 -0.036 0.000 0.972 271 D CA 1.256 55.274 54.000 0.030 0.000 0.835 271 D CB -0.341 40.513 40.800 0.090 0.000 0.966 271 D HN 0.386 nan 8.370 nan 0.000 0.476 272 A N 1.275 124.085 122.820 -0.017 0.000 1.978 272 A HA -0.216 4.095 4.320 -0.015 0.000 0.220 272 A C 2.418 179.973 177.584 -0.048 0.000 1.170 272 A CA 2.438 54.463 52.037 -0.020 0.000 0.636 272 A CB -0.724 18.274 19.000 -0.003 0.000 0.810 272 A HN 0.307 nan 8.150 nan 0.000 0.448 273 R N -0.173 120.267 120.500 -0.100 0.000 2.062 273 R HA 0.015 4.346 4.340 -0.015 0.000 0.226 273 R C 2.288 178.513 176.300 -0.125 0.000 1.125 273 R CA 1.383 57.414 56.100 -0.114 0.000 0.966 273 R CB -0.914 29.291 30.300 -0.157 0.000 0.861 273 R HN 0.690 nan 8.270 nan 0.000 0.433 274 R N 0.165 120.548 120.500 -0.195 0.000 2.083 274 R HA -0.108 4.223 4.340 -0.015 0.000 0.237 274 R C 2.709 178.973 176.300 -0.060 0.000 1.137 274 R CA 1.973 57.981 56.100 -0.152 0.000 0.951 274 R CB -0.303 29.883 30.300 -0.190 0.000 0.851 274 R HN 0.441 nan 8.270 nan 0.000 0.434 275 R N 0.350 120.827 120.500 -0.038 0.000 2.096 275 R HA -0.108 4.224 4.340 -0.015 0.000 0.235 275 R C 1.677 177.991 176.300 0.024 0.000 1.127 275 R CA 1.403 57.505 56.100 0.004 0.000 0.968 275 R CB -0.207 30.099 30.300 0.010 0.000 0.861 275 R HN 0.248 nan 8.270 nan 0.000 0.440 276 D N 0.584 120.991 120.400 0.012 0.000 2.219 276 D HA -0.123 4.508 4.640 -0.015 0.000 0.205 276 D C 1.848 178.179 176.300 0.051 0.000 0.970 276 D CA 1.077 55.096 54.000 0.032 0.000 0.851 276 D CB 0.006 40.815 40.800 0.015 0.000 0.943 276 D HN 0.347 nan 8.370 nan 0.000 0.488 277 Q N -0.091 119.725 119.800 0.027 0.000 2.123 277 Q HA -0.061 4.270 4.340 -0.015 0.000 0.199 277 Q C 2.124 178.190 176.000 0.111 0.000 0.966 277 Q CA 0.691 56.519 55.803 0.042 0.000 0.845 277 Q CB 0.123 28.848 28.738 -0.022 0.000 0.907 277 Q HN 0.220 nan 8.270 nan 0.000 0.439 278 Q N -0.061 119.796 119.800 0.096 0.000 2.119 278 Q HA -0.092 4.239 4.340 -0.015 0.000 0.201 278 Q C 2.247 178.349 176.000 0.170 0.000 0.972 278 Q CA 1.008 56.899 55.803 0.148 0.000 0.847 278 Q CB -0.050 28.743 28.738 0.092 0.000 0.903 278 Q HN 0.254 nan 8.270 nan 0.000 0.433 279 V N 1.759 121.760 119.914 0.145 0.000 2.358 279 V HA -0.209 3.902 4.120 -0.015 0.000 0.246 279 V C 1.645 177.901 176.094 0.270 0.000 1.047 279 V CA 1.838 64.249 62.300 0.186 0.000 1.035 279 V CB -0.417 31.516 31.823 0.183 0.000 0.658 279 V HN 0.228 nan 8.190 nan 0.000 0.452 280 D N -1.187 119.354 120.400 0.236 0.000 2.178 280 D HA -0.188 4.443 4.640 -0.015 0.000 0.202 280 D C 1.811 178.290 176.300 0.298 0.000 0.974 280 D CA 1.051 55.202 54.000 0.252 0.000 0.841 280 D CB -0.234 40.671 40.800 0.175 0.000 0.953 280 D HN 0.648 nan 8.370 nan 0.000 0.478 281 W N 1.738 123.069 121.300 0.051 0.000 2.381 281 W HA -0.206 4.451 4.660 -0.006 0.000 0.301 281 W C 1.606 178.119 176.519 -0.010 0.000 1.205 281 W CA 1.365 58.720 57.345 0.016 0.000 1.285 281 W CB 0.008 29.465 29.460 -0.005 0.000 1.133 281 W HN -0.061 nan 8.180 nan 0.000 0.521 282 T N 0.406 114.907 114.554 -0.088 0.000 2.635 282 T HA -0.303 4.038 4.350 -0.015 0.000 0.267 282 T C 1.108 175.541 174.700 -0.444 0.000 1.040 282 T CA 2.396 64.282 62.100 -0.355 0.000 1.156 282 T CB -1.074 67.588 68.868 -0.344 0.000 0.863 282 T HN 0.318 nan 8.240 nan 0.000 0.430 283 W N 1.234 122.469 121.300 -0.108 0.000 2.465 283 W HA -0.010 4.647 4.660 -0.006 0.000 0.268 283 W C 2.728 179.172 176.519 -0.125 0.000 1.242 283 W CA 0.347 57.636 57.345 -0.093 0.000 1.248 283 W CB -0.242 29.193 29.460 -0.042 0.000 1.118 283 W HN 0.253 nan 8.180 nan 0.000 0.587 284 Q N 0.557 120.358 119.800 0.002 0.000 2.096 284 Q HA -0.098 4.234 4.340 -0.015 0.000 0.197 284 Q C 1.943 177.763 176.000 -0.299 0.000 0.964 284 Q CA 1.568 57.320 55.803 -0.084 0.000 0.838 284 Q CB -0.597 28.155 28.738 0.023 0.000 0.906 284 Q HN 0.323 nan 8.270 nan 0.000 0.444 285 L N -0.723 120.153 121.223 -0.578 0.000 2.083 285 L HA -0.157 4.174 4.340 -0.015 0.000 0.209 285 L C 2.236 178.917 176.870 -0.315 0.000 1.083 285 L CA 0.817 55.316 54.840 -0.568 0.000 0.752 285 L CB -0.455 41.172 42.059 -0.720 0.000 0.899 285 L HN 0.112 nan 8.230 nan 0.000 0.433 286 V N -0.362 119.389 119.914 -0.271 0.000 2.343 286 V HA -0.297 3.815 4.120 -0.015 0.000 0.247 286 V C 2.652 178.713 176.094 -0.056 0.000 1.051 286 V CA 1.756 63.956 62.300 -0.166 0.000 1.036 286 V CB -0.569 31.139 31.823 -0.191 0.000 0.654 286 V HN 0.390 nan 8.190 nan 0.000 0.451 287 R N -0.052 120.439 120.500 -0.014 0.000 2.083 287 R HA -0.180 4.151 4.340 -0.015 0.000 0.237 287 R C 2.141 178.424 176.300 -0.029 0.000 1.137 287 R CA 2.065 58.172 56.100 0.013 0.000 0.951 287 R CB -0.344 29.973 30.300 0.029 0.000 0.851 287 R HN 0.537 nan 8.270 nan 0.000 0.434 288 D N -0.136 120.216 120.400 -0.081 0.000 2.144 288 D HA -0.126 4.505 4.640 -0.015 0.000 0.199 288 D C 1.660 177.919 176.300 -0.067 0.000 0.984 288 D CA 1.422 55.368 54.000 -0.089 0.000 0.834 288 D CB -0.202 40.526 40.800 -0.120 0.000 0.955 288 D HN 0.348 nan 8.370 nan 0.000 0.465 289 A N 0.484 123.258 122.820 -0.077 0.000 1.930 289 A HA -0.087 4.225 4.320 -0.015 0.000 0.217 289 A C 2.445 180.018 177.584 -0.019 0.000 1.175 289 A CA 0.907 52.911 52.037 -0.055 0.000 0.627 289 A CB -0.474 18.480 19.000 -0.077 0.000 0.815 289 A HN 0.157 nan 8.150 nan 0.000 0.443 290 V N -0.567 119.342 119.914 -0.008 0.000 2.878 290 V HA -0.038 4.073 4.120 -0.015 0.000 0.250 290 V C 2.304 178.427 176.094 0.047 0.000 1.075 290 V CA 1.289 63.600 62.300 0.019 0.000 1.096 290 V CB -0.194 31.644 31.823 0.025 0.000 0.724 290 V HN 0.542 nan 8.190 nan 0.000 0.467 291 L N -0.795 120.461 121.223 0.055 0.000 2.249 291 L HA -0.021 4.311 4.340 -0.015 0.000 0.207 291 L C 2.014 178.981 176.870 0.161 0.000 1.090 291 L CA 1.114 56.025 54.840 0.118 0.000 0.802 291 L CB -0.398 41.723 42.059 0.104 0.000 0.947 291 L HN 0.287 nan 8.230 nan 0.000 0.453 292 D N 0.225 120.674 120.400 0.082 0.000 2.221 292 D HA -0.195 4.437 4.640 -0.015 0.000 0.204 292 D C 2.474 178.839 176.300 0.109 0.000 0.982 292 D CA 1.379 55.438 54.000 0.098 0.000 0.857 292 D CB 0.062 40.881 40.800 0.032 0.000 0.934 292 D HN 0.206 nan 8.370 nan 0.000 0.475 293 R N 0.319 120.865 120.500 0.078 0.000 2.105 293 R HA -0.123 4.208 4.340 -0.015 0.000 0.239 293 R C 2.240 178.586 176.300 0.077 0.000 1.135 293 R CA 1.696 57.834 56.100 0.062 0.000 0.967 293 R CB -1.491 28.834 30.300 0.042 0.000 0.861 293 R HN 0.182 nan 8.270 nan 0.000 0.442 294 V N -1.915 118.064 119.914 0.109 0.000 2.283 294 V HA -0.125 3.986 4.120 -0.015 0.000 0.239 294 V C 2.205 178.363 176.094 0.108 0.000 1.035 294 V CA 1.205 63.559 62.300 0.089 0.000 1.018 294 V CB -0.732 31.140 31.823 0.081 0.000 0.658 294 V HN 0.707 nan 8.190 nan 0.000 0.459 295 W N 0.381 121.683 121.300 0.003 0.000 2.325 295 W HA -0.195 4.455 4.660 -0.016 0.000 0.299 295 W C 2.925 179.446 176.519 0.004 0.000 1.215 295 W CA 2.110 59.457 57.345 0.004 0.000 1.244 295 W CB -0.361 29.102 29.460 0.006 0.000 1.140 295 W HN 0.141 nan 8.180 nan 0.000 0.523 296 S N -0.395 115.450 115.700 0.242 0.000 2.528 296 S HA -0.029 4.432 4.470 -0.015 0.000 0.219 296 S C 0.750 175.401 174.600 0.085 0.000 0.985 296 S CA -0.275 58.016 58.200 0.152 0.000 0.914 296 S CB -0.660 62.609 63.200 0.114 0.000 0.776 296 S HN 0.085 nan 8.310 nan 0.000 0.526 297 N N 2.391 121.129 118.700 0.063 0.000 2.434 297 N HA 0.037 4.769 4.740 -0.015 0.000 0.268 297 N C -1.979 173.538 175.510 0.012 0.000 1.256 297 N CA -1.099 51.968 53.050 0.028 0.000 0.914 297 N CB 1.297 39.792 38.487 0.014 0.000 1.088 297 N HN 0.109 nan 8.380 nan 0.000 0.478 298 P HA -0.115 nan 4.420 nan 0.000 0.215 298 P C 1.093 178.389 177.300 -0.008 0.000 1.157 298 P CA 1.648 64.751 63.100 0.005 0.000 0.874 298 P CB 0.147 31.851 31.700 0.007 0.000 0.790 299 T N -0.689 113.859 114.554 -0.011 0.000 2.708 299 T HA -0.106 4.236 4.350 -0.015 0.000 0.266 299 T C 1.892 176.572 174.700 -0.033 0.000 1.037 299 T CA 1.219 63.307 62.100 -0.018 0.000 1.146 299 T CB -1.148 67.711 68.868 -0.015 0.000 0.865 299 T HN -0.121 nan 8.240 nan 0.000 0.435 300 V N 1.719 121.609 119.914 -0.040 0.000 2.324 300 V HA -0.239 3.872 4.120 -0.015 0.000 0.250 300 V C 3.166 179.207 176.094 -0.089 0.000 1.060 300 V CA 2.410 64.667 62.300 -0.071 0.000 1.042 300 V CB -0.995 30.777 31.823 -0.085 0.000 0.650 300 V HN 0.589 nan 8.190 nan 0.000 0.450 301 R N 0.014 120.475 120.500 -0.065 0.000 2.189 301 R HA -0.033 4.298 4.340 -0.015 0.000 0.218 301 R C 2.271 178.542 176.300 -0.048 0.000 1.074 301 R CA 1.818 57.880 56.100 -0.063 0.000 0.991 301 R CB -1.167 29.119 30.300 -0.023 0.000 0.883 301 R HN 0.660 nan 8.270 nan 0.000 0.457 302 K N -0.312 120.065 120.400 -0.037 0.000 2.116 302 K HA 0.254 4.565 4.320 -0.015 0.000 0.203 302 K C 2.145 178.723 176.600 -0.037 0.000 1.052 302 K CA 1.222 57.492 56.287 -0.029 0.000 0.952 302 K CB -0.687 31.801 32.500 -0.020 0.000 0.729 302 K HN 0.244 nan 8.250 nan 0.000 0.446 303 V N 1.062 120.948 119.914 -0.046 0.000 3.406 303 V HA -0.022 4.089 4.120 -0.015 0.000 0.263 303 V C 2.519 178.577 176.094 -0.061 0.000 1.172 303 V CA 1.203 63.475 62.300 -0.047 0.000 1.140 303 V CB -0.260 31.536 31.823 -0.044 0.000 0.784 303 V HN 0.668 nan 8.190 nan 0.000 0.467 304 R N -0.057 120.395 120.500 -0.080 0.000 2.083 304 R HA -0.153 4.178 4.340 -0.015 0.000 0.237 304 R C 2.328 178.580 176.300 -0.080 0.000 1.137 304 R CA 2.372 58.408 56.100 -0.106 0.000 0.951 304 R CB -0.538 29.671 30.300 -0.151 0.000 0.851 304 R HN 0.453 nan 8.270 nan 0.000 0.434 305 S N 0.380 116.044 115.700 -0.059 0.000 2.359 305 S HA -0.195 4.266 4.470 -0.015 0.000 0.224 305 S C 1.732 176.310 174.600 -0.036 0.000 1.035 305 S CA 1.683 59.858 58.200 -0.042 0.000 1.018 305 S CB -0.337 62.846 63.200 -0.029 0.000 0.876 305 S HN 0.464 nan 8.310 nan 0.000 0.448 306 E N 1.399 121.578 120.200 -0.035 0.000 2.072 306 E HA -0.012 4.329 4.350 -0.015 0.000 0.191 306 E C 1.905 178.486 176.600 -0.032 0.000 0.985 306 E CA 0.970 57.353 56.400 -0.029 0.000 0.801 306 E CB -0.443 29.242 29.700 -0.025 0.000 0.750 306 E HN 0.455 nan 8.360 nan 0.000 0.452 307 L N 0.324 121.522 121.223 -0.041 0.000 2.083 307 L HA -0.168 4.163 4.340 -0.015 0.000 0.209 307 L C 2.479 179.325 176.870 -0.040 0.000 1.083 307 L CA 1.577 56.392 54.840 -0.042 0.000 0.752 307 L CB -0.366 41.662 42.059 -0.053 0.000 0.899 307 L HN 0.224 nan 8.230 nan 0.000 0.433 308 E N -0.350 119.823 120.200 -0.045 0.000 2.047 308 E HA -0.241 4.100 4.350 -0.015 0.000 0.191 308 E C 2.308 178.893 176.600 -0.025 0.000 0.987 308 E CA 0.833 57.210 56.400 -0.038 0.000 0.799 308 E CB -0.073 29.602 29.700 -0.043 0.000 0.752 308 E HN 0.264 nan 8.360 nan 0.000 0.449 309 R N 0.985 121.471 120.500 -0.023 0.000 2.096 309 R HA -0.201 4.131 4.340 -0.015 0.000 0.240 309 R C 2.240 178.531 176.300 -0.015 0.000 1.139 309 R CA 1.693 57.783 56.100 -0.016 0.000 0.952 309 R CB -0.060 30.231 30.300 -0.015 0.000 0.854 309 R HN 0.076 nan 8.270 nan 0.000 0.436 310 R N -0.476 120.014 120.500 -0.018 0.000 2.096 310 R HA -0.092 4.239 4.340 -0.015 0.000 0.235 310 R C 2.330 178.621 176.300 -0.014 0.000 1.127 310 R CA 1.476 57.567 56.100 -0.016 0.000 0.968 310 R CB -0.289 30.000 30.300 -0.017 0.000 0.861 310 R HN 0.104 nan 8.270 nan 0.000 0.440 311 V N 1.049 120.953 119.914 -0.017 0.000 2.261 311 V HA -0.247 3.864 4.120 -0.015 0.000 0.246 311 V C 2.208 178.296 176.094 -0.010 0.000 1.047 311 V CA 1.754 64.046 62.300 -0.014 0.000 1.015 311 V CB -0.444 31.369 31.823 -0.017 0.000 0.642 311 V HN 0.300 nan 8.190 nan 0.000 0.446 312 R N 0.184 120.679 120.500 -0.010 0.000 2.200 312 R HA -0.081 4.250 4.340 -0.015 0.000 0.234 312 R C 1.981 178.278 176.300 -0.005 0.000 1.127 312 R CA 1.345 57.441 56.100 -0.006 0.000 0.989 312 R CB -0.374 29.923 30.300 -0.006 0.000 0.869 312 R HN 0.537 nan 8.270 nan 0.000 0.459 313 A N -0.227 122.589 122.820 -0.007 0.000 2.308 313 A HA 0.287 4.598 4.320 -0.015 0.000 0.217 313 A C 1.364 178.945 177.584 -0.006 0.000 1.216 313 A CA 0.499 52.532 52.037 -0.006 0.000 0.864 313 A CB 0.234 19.230 19.000 -0.007 0.000 0.902 313 A HN 0.370 nan 8.150 nan 0.000 0.499 314 G N -0.051 108.746 108.800 -0.006 0.000 2.168 314 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.257 314 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.257 314 G C 0.447 175.344 174.900 -0.006 0.000 0.997 314 G CA 0.737 45.834 45.100 -0.006 0.000 0.708 314 G HN 0.623 nan 8.290 nan 0.000 0.520 315 E N -1.490 118.706 120.200 -0.008 0.000 2.427 315 E HA 0.303 4.644 4.350 -0.015 0.000 0.196 315 E C 0.469 177.064 176.600 -0.009 0.000 1.028 315 E CA 0.388 56.783 56.400 -0.008 0.000 0.864 315 E CB 0.331 30.026 29.700 -0.009 0.000 0.813 315 E HN 0.387 nan 8.360 nan 0.000 0.514 316 L N 0.364 121.581 121.223 -0.010 0.000 2.526 316 L HA 0.157 4.488 4.340 -0.015 0.000 0.263 316 L C -0.341 176.523 176.870 -0.010 0.000 0.943 316 L CA -0.597 54.236 54.840 -0.011 0.000 0.859 316 L CB 1.919 43.970 42.059 -0.014 0.000 1.313 316 L HN -0.091 nan 8.230 nan 0.000 0.406 317 T N 1.402 115.951 114.554 -0.009 0.000 2.860 317 T HA 0.369 4.710 4.350 -0.015 0.000 0.299 317 T C -2.061 172.633 174.700 -0.010 0.000 1.045 317 T CA -1.012 61.083 62.100 -0.008 0.000 1.071 317 T CB 0.828 69.692 68.868 -0.007 0.000 0.985 317 T HN 0.541 nan 8.240 nan 0.000 0.537 318 P HA 0.109 nan 4.420 nan 0.000 0.221 318 P C 1.555 178.849 177.300 -0.009 0.000 1.150 318 P CA 0.931 64.026 63.100 -0.009 0.000 0.800 318 P CB -0.218 31.479 31.700 -0.005 0.000 0.787 319 A N -0.428 122.388 122.820 -0.007 0.000 1.898 319 A HA -0.124 4.187 4.320 -0.015 0.000 0.216 319 A C 2.152 179.731 177.584 -0.009 0.000 1.181 319 A CA 1.262 53.295 52.037 -0.006 0.000 0.620 319 A CB -1.553 17.444 19.000 -0.004 0.000 0.819 319 A HN 0.109 nan 8.150 nan 0.000 0.442 320 L N -0.916 120.301 121.223 -0.010 0.000 2.093 320 L HA -0.142 4.189 4.340 -0.015 0.000 0.208 320 L C 3.070 179.930 176.870 -0.016 0.000 1.085 320 L CA 0.954 55.787 54.840 -0.012 0.000 0.755 320 L CB -0.486 41.566 42.059 -0.011 0.000 0.904 320 L HN 0.436 nan 8.230 nan 0.000 0.435 321 A N 0.029 122.838 122.820 -0.019 0.000 1.930 321 A HA -0.123 4.188 4.320 -0.015 0.000 0.217 321 A C 2.540 180.105 177.584 -0.032 0.000 1.175 321 A CA 1.530 53.551 52.037 -0.027 0.000 0.627 321 A CB -0.613 18.369 19.000 -0.031 0.000 0.815 321 A HN 0.382 nan 8.150 nan 0.000 0.443 322 A N -0.341 122.463 122.820 -0.025 0.000 1.883 322 A HA -0.268 4.043 4.320 -0.015 0.000 0.217 322 A C 2.233 179.804 177.584 -0.021 0.000 1.186 322 A CA 2.004 54.027 52.037 -0.024 0.000 0.624 322 A CB -0.729 18.264 19.000 -0.012 0.000 0.822 322 A HN 0.700 nan 8.150 nan 0.000 0.444 323 Q N -0.857 118.933 119.800 -0.016 0.000 2.061 323 Q HA -0.324 4.007 4.340 -0.015 0.000 0.204 323 Q C 2.223 178.213 176.000 -0.017 0.000 0.984 323 Q CA 2.239 58.034 55.803 -0.013 0.000 0.846 323 Q CB -0.253 28.479 28.738 -0.010 0.000 0.902 323 Q HN 0.728 nan 8.270 nan 0.000 0.421 324 Q N 0.117 119.904 119.800 -0.021 0.000 2.096 324 Q HA -0.143 4.188 4.340 -0.015 0.000 0.204 324 Q C 2.008 177.989 176.000 -0.032 0.000 0.982 324 Q CA 1.875 57.664 55.803 -0.025 0.000 0.850 324 Q CB -0.087 28.635 28.738 -0.027 0.000 0.901 324 Q HN 0.512 nan 8.270 nan 0.000 0.422 325 I N -0.248 120.298 120.570 -0.041 0.000 2.226 325 I HA -0.316 3.846 4.170 -0.015 0.000 0.245 325 I C 1.846 177.939 176.117 -0.039 0.000 1.100 325 I CA 1.024 62.292 61.300 -0.054 0.000 1.374 325 I CB -0.124 37.829 38.000 -0.078 0.000 1.057 325 I HN 0.224 nan 8.210 nan 0.000 0.413 326 L N -0.058 121.150 121.223 -0.026 0.000 2.027 326 L HA -0.210 4.121 4.340 -0.015 0.000 0.206 326 L C 2.476 179.339 176.870 -0.011 0.000 1.074 326 L CA 1.493 56.325 54.840 -0.013 0.000 0.745 326 L CB -0.693 41.362 42.059 -0.006 0.000 0.898 326 L HN 0.209 nan 8.230 nan 0.000 0.433 327 E N 0.326 120.518 120.200 -0.012 0.000 2.058 327 E HA -0.248 4.093 4.350 -0.015 0.000 0.194 327 E C 2.268 178.861 176.600 -0.012 0.000 0.997 327 E CA 1.465 57.859 56.400 -0.010 0.000 0.801 327 E CB -0.177 29.517 29.700 -0.011 0.000 0.746 327 E HN 0.458 nan 8.360 nan 0.000 0.450 328 I N 0.955 121.514 120.570 -0.017 0.000 2.202 328 I HA -0.269 3.892 4.170 -0.015 0.000 0.242 328 I C 2.576 178.683 176.117 -0.016 0.000 1.091 328 I CA 0.911 62.200 61.300 -0.019 0.000 1.368 328 I CB -0.342 37.642 38.000 -0.026 0.000 1.058 328 I HN 0.094 nan 8.210 nan 0.000 0.410 329 A N 0.840 123.650 122.820 -0.017 0.000 1.917 329 A HA -0.306 4.005 4.320 -0.015 0.000 0.219 329 A C 2.074 179.657 177.584 -0.002 0.000 1.182 329 A CA 2.489 54.520 52.037 -0.009 0.000 0.633 329 A CB -0.848 18.149 19.000 -0.006 0.000 0.819 329 A HN 0.479 nan 8.150 nan 0.000 0.448 330 N N -0.328 118.370 118.700 -0.003 0.000 2.396 330 N HA 0.008 4.739 4.740 -0.015 0.000 0.180 330 N C 1.413 176.922 175.510 -0.001 0.000 1.028 330 N CA 0.899 53.949 53.050 0.000 0.000 0.893 330 N CB -0.374 38.113 38.487 0.000 0.000 0.967 330 N HN 0.517 nan 8.380 nan 0.000 0.440 331 L N -0.508 120.713 121.223 -0.004 0.000 2.240 331 L HA 0.012 4.343 4.340 -0.015 0.000 0.211 331 L C 1.356 178.224 176.870 -0.003 0.000 1.106 331 L CA 1.352 56.189 54.840 -0.004 0.000 0.793 331 L CB -0.125 41.931 42.059 -0.006 0.000 0.927 331 L HN 0.277 nan 8.230 nan 0.000 0.446 332 T N -5.101 109.451 114.554 -0.003 0.000 3.129 332 T HA 0.265 4.606 4.350 -0.015 0.000 0.267 332 T C 0.255 174.955 174.700 0.001 0.000 1.018 332 T CA 0.254 62.353 62.100 -0.002 0.000 0.903 332 T CB -0.538 68.328 68.868 -0.003 0.000 1.067 332 T HN 0.216 nan 8.240 nan 0.000 0.549 333 D N 0.000 120.402 120.400 0.003 0.000 6.856 333 D HA 0.000 4.631 4.640 -0.015 0.000 0.175 333 D CA 0.000 54.003 54.000 0.005 0.000 0.868 333 D CB 0.000 40.805 40.800 0.008 0.000 0.688 333 D HN 0.000 nan 8.370 nan 0.000 0.683