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 2qyo_1_A DATA FIRST_RESID 5 DATA SEQUENCE INNRKPSEIF KAQALLYKNM YAFVDSMSLK WSIEMNIPNI IHNHGKPITL DATA SEQUENCE SNLVSILQIP STKVDNVQRL MRYLAHNGFF EIITNQELEN EEEAYALTVA DATA SEQUENCE SELLVKGTEL CLAPMVECVL DPTLSTSFHN LKKWVYEEDL TLFAVNLGCD DATA SEQUENCE LWEFLNKNPE YNTLYNDALA SDSKMINLAM KDCNLVFEGL ESIVDVGGGN DATA SEQUENCE GTTGKIICET FPKLTCVVFD RPKVVENLCG SNNLTYVGGD MFISVPKADA DATA SEQUENCE VLLKAVLHDW TDKDCIKILK KCKEAVTSDG KRGKVIVIDM VINEKKDENQ DATA SEQUENCE LTQIKLLMNV TISCVNGKER NEEEWKKLFI EAGFQDYKIS PFTGLMSLIE DATA SEQUENCE IYP 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.093 176.117 -0.040 0.000 1.063 5 I CA 0.000 61.273 61.300 -0.045 0.000 1.566 5 I CB 0.000 37.982 38.000 -0.030 0.000 1.214 6 N N 1.457 120.141 118.700 -0.026 0.000 2.103 6 N HA -0.274 4.593 4.740 0.211 0.000 0.200 6 N C 0.439 175.935 175.510 -0.023 0.000 1.016 6 N CA 2.631 55.669 53.050 -0.021 0.000 0.890 6 N CB -0.170 38.309 38.487 -0.013 0.000 1.075 6 N HN 0.370 nan 8.380 nan 0.000 0.506 7 N N -0.385 118.301 118.700 -0.023 0.000 2.547 7 N HA 0.172 5.039 4.740 0.211 0.000 0.285 7 N C -1.289 174.205 175.510 -0.027 0.000 1.600 7 N CA -0.172 52.864 53.050 -0.023 0.000 0.872 7 N CB 0.747 39.225 38.487 -0.015 0.000 1.412 7 N HN 0.095 nan 8.380 nan 0.000 0.489 8 R N 0.517 120.995 120.500 -0.037 0.000 2.738 8 R HA 0.204 4.671 4.340 0.211 0.000 0.268 8 R C 0.034 176.300 176.300 -0.056 0.000 1.062 8 R CA -0.035 56.039 56.100 -0.042 0.000 1.158 8 R CB 0.849 31.119 30.300 -0.049 0.000 1.046 8 R HN 0.020 nan 8.270 nan 0.000 0.493 9 K N 2.499 122.873 120.400 -0.044 0.000 2.412 9 K HA 0.016 4.463 4.320 0.211 0.000 0.281 9 K C -1.683 174.867 176.600 -0.084 0.000 1.027 9 K CA -1.211 55.052 56.287 -0.041 0.000 0.989 9 K CB 0.583 33.075 32.500 -0.014 0.000 0.935 9 K HN 0.296 nan 8.250 nan 0.000 0.475 10 P HA -0.302 nan 4.420 nan 0.000 0.216 10 P C 1.272 178.457 177.300 -0.192 0.000 1.154 10 P CA 1.603 64.554 63.100 -0.248 0.000 0.865 10 P CB 0.159 31.820 31.700 -0.064 0.000 0.789 11 S N -0.707 115.015 115.700 0.036 0.000 2.370 11 S HA -0.244 4.353 4.470 0.211 0.000 0.226 11 S C 2.055 176.691 174.600 0.060 0.000 1.033 11 S CA 1.580 59.854 58.200 0.124 0.000 1.011 11 S CB -1.188 62.066 63.200 0.091 0.000 0.852 11 S HN 0.065 nan 8.310 nan 0.000 0.457 12 E N 1.547 121.744 120.200 -0.006 0.000 2.072 12 E HA 0.033 4.509 4.350 0.211 0.000 0.191 12 E C 1.831 178.407 176.600 -0.040 0.000 0.985 12 E CA 1.282 57.675 56.400 -0.011 0.000 0.801 12 E CB -0.561 29.126 29.700 -0.021 0.000 0.750 12 E HN 0.694 nan 8.360 nan 0.000 0.452 13 I N -0.247 120.236 120.570 -0.145 0.000 2.226 13 I HA -0.248 4.049 4.170 0.211 0.000 0.245 13 I C 1.656 177.686 176.117 -0.145 0.000 1.100 13 I CA 0.865 62.038 61.300 -0.212 0.000 1.374 13 I CB -0.262 37.492 38.000 -0.409 0.000 1.057 13 I HN 0.099 nan 8.210 nan 0.000 0.413 14 F N 1.201 121.159 119.950 0.013 0.000 2.293 14 F HA -0.115 4.539 4.527 0.211 0.000 0.300 14 F C 2.385 178.188 175.800 0.005 0.000 1.086 14 F CA 1.039 59.040 58.000 0.003 0.000 1.375 14 F CB -0.746 38.247 39.000 -0.011 0.000 1.045 14 F HN -0.062 nan 8.300 nan 0.000 0.516 15 K N -0.003 120.499 120.400 0.169 0.000 2.097 15 K HA -0.074 4.372 4.320 0.211 0.000 0.205 15 K C 2.340 179.000 176.600 0.099 0.000 1.050 15 K CA 1.143 57.497 56.287 0.110 0.000 0.938 15 K CB -0.436 32.110 32.500 0.077 0.000 0.718 15 K HN 0.206 nan 8.250 nan 0.000 0.442 16 A N 1.518 124.388 122.820 0.084 0.000 1.930 16 A HA -0.238 4.209 4.320 0.211 0.000 0.217 16 A C 2.147 179.806 177.584 0.125 0.000 1.175 16 A CA 1.436 53.522 52.037 0.081 0.000 0.627 16 A CB -0.518 18.511 19.000 0.048 0.000 0.815 16 A HN 0.374 nan 8.150 nan 0.000 0.443 17 Q N -0.312 119.582 119.800 0.156 0.000 2.096 17 Q HA -0.183 4.284 4.340 0.211 0.000 0.204 17 Q C 2.173 178.321 176.000 0.247 0.000 0.982 17 Q CA 1.825 57.765 55.803 0.229 0.000 0.850 17 Q CB -0.369 28.520 28.738 0.252 0.000 0.901 17 Q HN 0.587 nan 8.270 nan 0.000 0.422 18 A N 1.325 124.228 122.820 0.138 0.000 1.877 18 A HA -0.192 4.255 4.320 0.211 0.000 0.216 18 A C 2.092 179.779 177.584 0.171 0.000 1.186 18 A CA 1.411 53.508 52.037 0.101 0.000 0.620 18 A CB -0.927 18.104 19.000 0.051 0.000 0.822 18 A HN 0.571 nan 8.150 nan 0.000 0.443 19 L N -0.760 120.549 121.223 0.144 0.000 2.042 19 L HA -0.163 4.304 4.340 0.211 0.000 0.210 19 L C 2.476 179.439 176.870 0.155 0.000 1.076 19 L CA 1.546 56.465 54.840 0.131 0.000 0.749 19 L CB -0.224 41.894 42.059 0.099 0.000 0.893 19 L HN 0.465 nan 8.230 nan 0.000 0.432 20 L N -1.258 120.071 121.223 0.177 0.000 2.012 20 L HA -0.312 4.155 4.340 0.211 0.000 0.210 20 L C 2.476 179.445 176.870 0.165 0.000 1.073 20 L CA 1.818 56.750 54.840 0.153 0.000 0.748 20 L CB -0.474 41.681 42.059 0.161 0.000 0.891 20 L HN 0.298 nan 8.230 nan 0.000 0.431 21 Y N -0.500 119.860 120.300 0.099 0.000 2.224 21 Y HA -0.296 4.380 4.550 0.211 0.000 0.289 21 Y C 2.693 178.703 175.900 0.182 0.000 1.146 21 Y CA 1.146 59.339 58.100 0.156 0.000 1.182 21 Y CB -0.045 38.517 38.460 0.172 0.000 0.983 21 Y HN 0.040 nan 8.280 nan 0.000 0.524 22 K N 0.723 121.292 120.400 0.283 0.000 2.057 22 K HA -0.154 4.293 4.320 0.211 0.000 0.207 22 K C 1.435 178.135 176.600 0.167 0.000 1.049 22 K CA 1.313 57.722 56.287 0.204 0.000 0.931 22 K CB -0.520 32.075 32.500 0.158 0.000 0.714 22 K HN 0.428 nan 8.250 nan 0.000 0.440 23 N N 0.218 118.998 118.700 0.133 0.000 2.250 23 N HA -0.120 4.746 4.740 0.211 0.000 0.181 23 N C 1.870 177.430 175.510 0.083 0.000 1.017 23 N CA 0.936 54.045 53.050 0.099 0.000 0.866 23 N CB -0.048 38.484 38.487 0.075 0.000 0.985 23 N HN 0.241 nan 8.380 nan 0.000 0.429 24 M N -0.085 119.535 119.600 0.035 0.000 2.117 24 M HA -0.179 4.428 4.480 0.211 0.000 0.262 24 M C 0.724 177.018 176.300 -0.010 0.000 1.065 24 M CA 1.691 56.949 55.300 -0.071 0.000 1.114 24 M CB -0.030 32.404 32.600 -0.276 0.000 1.361 24 M HN 0.030 nan 8.290 nan 0.000 0.408 25 Y N -0.104 120.237 120.300 0.067 0.000 2.493 25 Y HA 0.355 5.032 4.550 0.210 0.000 0.275 25 Y C 2.020 177.799 175.900 -0.202 0.000 1.183 25 Y CA 0.202 58.242 58.100 -0.099 0.000 1.258 25 Y CB -0.707 37.663 38.460 -0.151 0.000 1.108 25 Y HN 0.328 nan 8.280 nan 0.000 0.521 26 A N 0.256 123.155 122.820 0.131 0.000 2.024 26 A HA -0.236 4.211 4.320 0.211 0.000 0.220 26 A C 1.939 179.575 177.584 0.088 0.000 1.164 26 A CA 1.728 53.832 52.037 0.112 0.000 0.643 26 A CB -1.352 17.724 19.000 0.126 0.000 0.806 26 A HN 0.631 nan 8.150 nan 0.000 0.451 27 F N -0.623 119.372 119.950 0.076 0.000 2.333 27 F HA -0.055 4.597 4.527 0.210 0.000 0.300 27 F C 1.574 177.430 175.800 0.093 0.000 1.083 27 F CA 1.084 59.116 58.000 0.054 0.000 1.395 27 F CB -1.046 37.968 39.000 0.024 0.000 1.056 27 F HN -0.035 nan 8.300 nan 0.000 0.529 28 V N 1.260 120.811 119.914 -0.604 0.000 2.667 28 V HA -0.211 4.036 4.120 0.211 0.000 0.252 28 V C 1.919 178.002 176.094 -0.018 0.000 1.065 28 V CA 1.863 63.940 62.300 -0.372 0.000 1.083 28 V CB -0.790 30.742 31.823 -0.485 0.000 0.692 28 V HN 0.271 nan 8.190 nan 0.000 0.468 29 D N 0.300 120.752 120.400 0.086 0.000 2.117 29 D HA -0.123 4.643 4.640 0.211 0.000 0.197 29 D C 2.426 178.794 176.300 0.113 0.000 0.987 29 D CA 1.721 55.845 54.000 0.205 0.000 0.829 29 D CB -0.254 40.660 40.800 0.189 0.000 0.961 29 D HN 0.396 nan 8.370 nan 0.000 0.460 30 S N 0.263 116.019 115.700 0.093 0.000 2.355 30 S HA -0.080 4.517 4.470 0.211 0.000 0.222 30 S C 1.972 176.622 174.600 0.083 0.000 1.031 30 S CA 0.785 59.031 58.200 0.075 0.000 0.993 30 S CB -0.054 63.200 63.200 0.090 0.000 0.859 30 S HN 0.198 nan 8.310 nan 0.000 0.453 31 M N 1.611 121.280 119.600 0.116 0.000 2.213 31 M HA 0.035 4.641 4.480 0.211 0.000 0.263 31 M C 2.187 178.574 176.300 0.145 0.000 1.062 31 M CA 1.076 56.458 55.300 0.137 0.000 1.105 31 M CB -1.689 31.007 32.600 0.160 0.000 1.385 31 M HN 0.180 nan 8.290 nan 0.000 0.417 32 S N 1.065 116.836 115.700 0.119 0.000 2.383 32 S HA -0.078 4.519 4.470 0.211 0.000 0.227 32 S C 1.863 176.586 174.600 0.205 0.000 1.026 32 S CA 0.794 59.095 58.200 0.169 0.000 0.981 32 S CB -0.352 62.951 63.200 0.172 0.000 0.818 32 S HN 0.364 nan 8.310 nan 0.000 0.472 33 L N 2.428 123.670 121.223 0.033 0.000 2.017 33 L HA -0.019 4.448 4.340 0.211 0.000 0.208 33 L C 2.169 179.017 176.870 -0.037 0.000 1.073 33 L CA 1.925 56.672 54.840 -0.154 0.000 0.745 33 L CB -0.656 41.227 42.059 -0.294 0.000 0.894 33 L HN 0.156 nan 8.230 nan 0.000 0.432 34 K N -1.485 118.936 120.400 0.036 0.000 2.063 34 K HA -0.289 4.158 4.320 0.211 0.000 0.208 34 K C 2.144 178.807 176.600 0.104 0.000 1.048 34 K CA 2.015 58.337 56.287 0.059 0.000 0.928 34 K CB -0.664 31.892 32.500 0.092 0.000 0.713 34 K HN 0.531 nan 8.250 nan 0.000 0.442 35 W N 1.766 123.059 121.300 -0.011 0.000 2.335 35 W HA -0.257 4.529 4.660 0.210 0.000 0.311 35 W C 2.295 178.810 176.519 -0.007 0.000 1.213 35 W CA 2.645 59.989 57.345 -0.002 0.000 1.274 35 W CB -0.644 28.820 29.460 0.005 0.000 1.148 35 W HN 0.239 nan 8.180 nan 0.000 0.498 36 S N 0.175 115.857 115.700 -0.030 0.000 2.383 36 S HA -0.275 4.322 4.470 0.211 0.000 0.229 36 S C 1.832 176.278 174.600 -0.257 0.000 1.030 36 S CA 1.785 59.817 58.200 -0.280 0.000 1.002 36 S CB -0.977 62.284 63.200 0.103 0.000 0.829 36 S HN 0.440 nan 8.310 nan 0.000 0.467 37 I N 1.766 122.245 120.570 -0.153 0.000 2.233 37 I HA -0.084 4.212 4.170 0.211 0.000 0.243 37 I C 2.812 178.844 176.117 -0.143 0.000 1.093 37 I CA 1.389 62.617 61.300 -0.121 0.000 1.380 37 I CB -0.377 37.575 38.000 -0.080 0.000 1.067 37 I HN 0.349 nan 8.210 nan 0.000 0.413 38 E N 0.413 120.523 120.200 -0.151 0.000 2.204 38 E HA -0.169 4.308 4.350 0.211 0.000 0.194 38 E C 2.016 178.491 176.600 -0.209 0.000 0.989 38 E CA 0.998 57.318 56.400 -0.133 0.000 0.824 38 E CB -0.005 29.653 29.700 -0.070 0.000 0.756 38 E HN 0.408 nan 8.360 nan 0.000 0.477 39 M N 0.129 119.497 119.600 -0.386 0.000 2.558 39 M HA 0.015 4.622 4.480 0.211 0.000 0.255 39 M C 0.261 176.393 176.300 -0.280 0.000 1.113 39 M CA 0.413 55.456 55.300 -0.428 0.000 1.097 39 M CB -0.409 31.687 32.600 -0.840 0.000 1.426 39 M HN 0.037 nan 8.290 nan 0.000 0.488 40 N N 0.600 119.170 118.700 -0.217 0.000 2.747 40 N HA -0.192 4.674 4.740 0.211 0.000 0.249 40 N C 0.709 176.152 175.510 -0.111 0.000 1.107 40 N CA 0.461 53.434 53.050 -0.127 0.000 0.707 40 N CB -1.570 36.864 38.487 -0.088 0.000 1.054 40 N HN 0.416 nan 8.380 nan 0.000 0.555 41 I N 0.548 121.020 120.570 -0.163 0.000 2.226 41 I HA -0.170 4.127 4.170 0.211 0.000 0.245 41 I C -0.613 175.521 176.117 0.029 0.000 1.100 41 I CA 1.270 62.493 61.300 -0.127 0.000 1.374 41 I CB -0.814 37.033 38.000 -0.256 0.000 1.057 41 I HN 0.113 nan 8.210 nan 0.000 0.413 42 P HA -0.124 nan 4.420 nan 0.000 0.215 42 P C 0.994 178.367 177.300 0.123 0.000 1.153 42 P CA 1.570 64.772 63.100 0.171 0.000 0.853 42 P CB -0.088 31.673 31.700 0.102 0.000 0.788 43 N N -1.111 117.628 118.700 0.065 0.000 2.188 43 N HA -0.056 4.810 4.740 0.211 0.000 0.184 43 N C 1.653 177.232 175.510 0.115 0.000 1.018 43 N CA 0.784 53.885 53.050 0.085 0.000 0.858 43 N CB -0.634 37.872 38.487 0.033 0.000 0.989 43 N HN 0.093 nan 8.380 nan 0.000 0.426 44 I N 0.525 121.131 120.570 0.059 0.000 2.226 44 I HA -0.243 4.054 4.170 0.211 0.000 0.245 44 I C 1.738 177.905 176.117 0.085 0.000 1.100 44 I CA 1.059 62.387 61.300 0.046 0.000 1.374 44 I CB -0.211 37.779 38.000 -0.017 0.000 1.057 44 I HN 0.156 nan 8.210 nan 0.000 0.413 45 I N -0.216 120.412 120.570 0.097 0.000 2.252 45 I HA -0.341 3.956 4.170 0.211 0.000 0.245 45 I C 2.706 178.929 176.117 0.177 0.000 1.102 45 I CA 1.360 62.738 61.300 0.130 0.000 1.385 45 I CB -0.789 37.307 38.000 0.159 0.000 1.064 45 I HN 0.373 nan 8.210 nan 0.000 0.414 46 H N 1.761 120.888 119.070 0.095 0.000 2.352 46 H HA -0.187 4.496 4.556 0.213 0.000 0.299 46 H C 1.823 177.194 175.328 0.073 0.000 1.097 46 H CA 1.909 58.003 56.048 0.077 0.000 1.311 46 H CB 0.056 29.849 29.762 0.053 0.000 1.377 46 H HN 0.293 nan 8.280 nan 0.000 0.504 47 N N 0.071 118.802 118.700 0.053 0.000 2.289 47 N HA -0.146 4.721 4.740 0.211 0.000 0.184 47 N C 1.955 177.464 175.510 -0.001 0.000 1.016 47 N CA 0.651 53.700 53.050 -0.003 0.000 0.872 47 N CB -0.702 37.825 38.487 0.068 0.000 0.973 47 N HN 0.579 nan 8.380 nan 0.000 0.433 48 H N -0.084 118.959 119.070 -0.045 0.000 2.457 48 H HA -0.035 4.647 4.556 0.211 0.000 0.294 48 H C 0.978 176.275 175.328 -0.052 0.000 1.064 48 H CA 1.221 57.250 56.048 -0.032 0.000 1.330 48 H CB 0.143 29.905 29.762 -0.001 0.000 1.395 48 H HN 0.321 nan 8.280 nan 0.000 0.541 49 G N 0.942 109.708 108.800 -0.056 0.000 2.162 49 G HA2 -0.305 3.782 3.960 0.211 0.000 0.260 49 G HA3 -0.305 3.782 3.960 0.211 0.000 0.260 49 G C 0.020 174.899 174.900 -0.035 0.000 0.976 49 G CA 0.890 45.928 45.100 -0.104 0.000 0.655 49 G HN 0.699 nan 8.290 nan 0.000 0.533 50 K N -2.429 118.013 120.400 0.071 0.000 2.735 50 K HA 0.515 4.962 4.320 0.211 0.000 0.295 50 K C -3.497 173.233 176.600 0.215 0.000 1.052 50 K CA -1.818 54.535 56.287 0.109 0.000 0.853 50 K CB 0.319 32.850 32.500 0.052 0.000 1.535 50 K HN -0.071 nan 8.250 nan 0.000 0.383 51 P HA 0.070 nan 4.420 nan 0.000 0.264 51 P C -0.800 176.561 177.300 0.102 0.000 1.183 51 P CA 0.003 63.171 63.100 0.113 0.000 0.763 51 P CB 0.367 32.102 31.700 0.059 0.000 0.807 52 I N 2.757 123.322 120.570 -0.008 0.000 2.377 52 I HA 0.243 4.539 4.170 0.211 0.000 0.293 52 I C 0.431 176.480 176.117 -0.114 0.000 0.987 52 I CA -0.548 60.616 61.300 -0.226 0.000 1.185 52 I CB 1.315 39.044 38.000 -0.451 0.000 1.341 52 I HN 0.353 nan 8.210 nan 0.000 0.455 53 T N 4.083 118.569 114.554 -0.114 0.000 2.900 53 T HA 0.053 4.530 4.350 0.211 0.000 0.307 53 T C 1.059 175.746 174.700 -0.021 0.000 1.065 53 T CA -0.580 61.465 62.100 -0.093 0.000 1.105 53 T CB 1.250 70.087 68.868 -0.052 0.000 0.979 53 T HN 0.630 nan 8.240 nan 0.000 0.544 54 L N 2.268 123.495 121.223 0.007 0.000 2.042 54 L HA -0.102 4.364 4.340 0.211 0.000 0.210 54 L C 2.750 179.661 176.870 0.069 0.000 1.076 54 L CA 2.637 57.569 54.840 0.154 0.000 0.749 54 L CB -1.276 40.875 42.059 0.153 0.000 0.893 54 L HN 0.990 nan 8.230 nan 0.000 0.432 55 S N -0.848 114.868 115.700 0.026 0.000 2.368 55 S HA -0.183 4.413 4.470 0.211 0.000 0.225 55 S C 1.875 176.480 174.600 0.008 0.000 1.030 55 S CA 1.320 59.531 58.200 0.018 0.000 0.999 55 S CB -0.869 62.337 63.200 0.010 0.000 0.844 55 S HN 0.594 nan 8.310 nan 0.000 0.459 56 N N 1.524 120.219 118.700 -0.008 0.000 2.270 56 N HA 0.050 4.917 4.740 0.211 0.000 0.181 56 N C 1.649 177.134 175.510 -0.043 0.000 1.016 56 N CA 1.028 54.065 53.050 -0.022 0.000 0.870 56 N CB -0.664 37.799 38.487 -0.040 0.000 0.979 56 N HN 0.405 nan 8.380 nan 0.000 0.431 57 L N 1.397 122.594 121.223 -0.043 0.000 2.005 57 L HA -0.087 4.380 4.340 0.211 0.000 0.207 57 L C 2.163 179.020 176.870 -0.022 0.000 1.072 57 L CA 1.349 56.162 54.840 -0.045 0.000 0.744 57 L CB -0.830 41.222 42.059 -0.012 0.000 0.895 57 L HN 0.077 nan 8.230 nan 0.000 0.433 58 V N -3.476 116.443 119.914 0.008 0.000 2.759 58 V HA -0.126 4.121 4.120 0.211 0.000 0.256 58 V C 2.452 178.553 176.094 0.011 0.000 1.080 58 V CA 1.663 63.974 62.300 0.018 0.000 1.101 58 V CB -1.171 30.673 31.823 0.035 0.000 0.698 58 V HN 0.537 nan 8.190 nan 0.000 0.477 59 S N 0.413 116.117 115.700 0.007 0.000 2.357 59 S HA -0.016 4.581 4.470 0.211 0.000 0.221 59 S C 1.873 176.476 174.600 0.005 0.000 1.031 59 S CA 1.656 59.861 58.200 0.008 0.000 0.982 59 S CB -0.439 62.768 63.200 0.011 0.000 0.853 59 S HN 0.630 nan 8.310 nan 0.000 0.458 60 I N 1.192 121.760 120.570 -0.002 0.000 2.252 60 I HA -0.133 4.163 4.170 0.211 0.000 0.245 60 I C 1.992 178.103 176.117 -0.010 0.000 1.102 60 I CA 1.035 62.333 61.300 -0.003 0.000 1.385 60 I CB -0.240 37.756 38.000 -0.007 0.000 1.064 60 I HN 0.305 nan 8.210 nan 0.000 0.414 61 L N -0.257 120.956 121.223 -0.017 0.000 2.291 61 L HA -0.098 4.368 4.340 0.211 0.000 0.214 61 L C 0.570 177.439 176.870 -0.002 0.000 1.120 61 L CA 0.544 55.372 54.840 -0.021 0.000 0.799 61 L CB -0.325 41.717 42.059 -0.028 0.000 0.925 61 L HN 0.345 nan 8.230 nan 0.000 0.446 62 Q N 0.393 120.196 119.800 0.006 0.000 2.470 62 Q HA -0.176 4.291 4.340 0.211 0.000 0.290 62 Q C -0.554 175.459 176.000 0.021 0.000 1.353 62 Q CA 0.079 55.889 55.803 0.012 0.000 0.787 62 Q CB -1.321 27.423 28.738 0.009 0.000 1.158 62 Q HN 0.262 nan 8.270 nan 0.000 0.426 63 I N 1.252 121.839 120.570 0.028 0.000 2.496 63 I HA 0.168 4.465 4.170 0.211 0.000 0.285 63 I C -1.363 174.774 176.117 0.033 0.000 1.080 63 I CA -1.884 59.441 61.300 0.042 0.000 1.404 63 I CB -0.173 37.860 38.000 0.056 0.000 1.403 63 I HN 0.019 nan 8.210 nan 0.000 0.539 64 P HA 0.034 nan 4.420 nan 0.000 0.266 64 P C 0.987 178.300 177.300 0.022 0.000 1.195 64 P CA -0.019 63.096 63.100 0.024 0.000 0.768 64 P CB 0.507 32.222 31.700 0.024 0.000 0.838 65 S N 0.913 116.623 115.700 0.017 0.000 2.387 65 S HA -0.210 4.387 4.470 0.211 0.000 0.230 65 S C 1.620 176.227 174.600 0.011 0.000 1.035 65 S CA 1.909 60.117 58.200 0.014 0.000 1.014 65 S CB -1.778 61.428 63.200 0.011 0.000 0.836 65 S HN 0.632 nan 8.310 nan 0.000 0.466 66 T N -1.748 112.812 114.554 0.009 0.000 3.163 66 T HA 0.231 4.707 4.350 0.211 0.000 0.260 66 T C 1.217 175.918 174.700 0.003 0.000 1.156 66 T CA 0.286 62.389 62.100 0.005 0.000 1.072 66 T CB -0.135 68.735 68.868 0.003 0.000 0.937 66 T HN 0.214 nan 8.240 nan 0.000 0.528 67 K N 0.460 120.866 120.400 0.010 0.000 2.413 67 K HA 0.369 4.815 4.320 0.211 0.000 0.204 67 K C 1.657 178.265 176.600 0.014 0.000 1.041 67 K CA -0.006 56.285 56.287 0.008 0.000 1.082 67 K CB 0.543 33.055 32.500 0.021 0.000 0.871 67 K HN 0.268 nan 8.250 nan 0.000 0.535 68 V N 2.621 122.546 119.914 0.018 0.000 2.407 68 V HA -0.241 4.006 4.120 0.211 0.000 0.248 68 V C 2.212 178.317 176.094 0.019 0.000 1.055 68 V CA 2.402 64.719 62.300 0.027 0.000 1.049 68 V CB -0.361 31.479 31.823 0.027 0.000 0.662 68 V HN 0.439 nan 8.190 nan 0.000 0.455 69 D N -0.355 120.047 120.400 0.004 0.000 2.224 69 D HA -0.192 4.574 4.640 0.211 0.000 0.205 69 D C 1.577 177.859 176.300 -0.030 0.000 0.965 69 D CA 1.142 55.139 54.000 -0.005 0.000 0.852 69 D CB -0.456 40.337 40.800 -0.010 0.000 0.947 69 D HN 0.477 nan 8.370 nan 0.000 0.494 70 N N 0.804 119.475 118.700 -0.048 0.000 2.142 70 N HA -0.090 4.777 4.740 0.211 0.000 0.186 70 N C 2.204 177.626 175.510 -0.147 0.000 1.023 70 N CA 0.796 53.785 53.050 -0.103 0.000 0.852 70 N CB 0.040 38.463 38.487 -0.106 0.000 0.998 70 N HN 0.138 nan 8.380 nan 0.000 0.424 71 V N 1.868 121.737 119.914 -0.074 0.000 2.343 71 V HA -0.235 4.012 4.120 0.211 0.000 0.247 71 V C 2.651 178.720 176.094 -0.041 0.000 1.051 71 V CA 1.563 63.843 62.300 -0.033 0.000 1.036 71 V CB -0.620 31.274 31.823 0.119 0.000 0.654 71 V HN 0.335 nan 8.190 nan 0.000 0.451 72 Q N -0.065 119.735 119.800 -0.000 0.000 2.096 72 Q HA -0.254 4.213 4.340 0.211 0.000 0.204 72 Q C 2.465 178.477 176.000 0.021 0.000 0.982 72 Q CA 1.923 57.754 55.803 0.047 0.000 0.850 72 Q CB -0.048 28.736 28.738 0.077 0.000 0.901 72 Q HN 0.562 nan 8.270 nan 0.000 0.422 73 R N -0.186 120.297 120.500 -0.028 0.000 2.096 73 R HA -0.091 4.376 4.340 0.211 0.000 0.235 73 R C 2.406 178.680 176.300 -0.043 0.000 1.127 73 R CA 1.228 57.306 56.100 -0.036 0.000 0.968 73 R CB -0.231 30.020 30.300 -0.082 0.000 0.861 73 R HN 0.293 nan 8.270 nan 0.000 0.440 74 L N -0.110 121.023 121.223 -0.151 0.000 2.046 74 L HA -0.183 4.284 4.340 0.211 0.000 0.208 74 L C 2.406 179.285 176.870 0.014 0.000 1.077 74 L CA 0.993 55.715 54.840 -0.197 0.000 0.747 74 L CB -0.214 41.411 42.059 -0.724 0.000 0.896 74 L HN 0.225 nan 8.230 nan 0.000 0.432 75 M N -0.895 118.694 119.600 -0.018 0.000 2.159 75 M HA -0.215 4.392 4.480 0.211 0.000 0.263 75 M C 2.336 178.703 176.300 0.113 0.000 1.063 75 M CA 1.528 56.790 55.300 -0.062 0.000 1.110 75 M CB -1.223 31.050 32.600 -0.545 0.000 1.374 75 M HN 0.220 nan 8.290 nan 0.000 0.411 76 R N -0.801 119.788 120.500 0.147 0.000 2.081 76 R HA -0.224 4.243 4.340 0.211 0.000 0.235 76 R C 2.294 178.750 176.300 0.261 0.000 1.131 76 R CA 1.601 57.830 56.100 0.214 0.000 0.960 76 R CB -0.408 29.989 30.300 0.162 0.000 0.856 76 R HN 0.272 nan 8.270 nan 0.000 0.436 77 Y N 1.149 121.511 120.300 0.104 0.000 2.163 77 Y HA -0.135 4.542 4.550 0.211 0.000 0.288 77 Y C 1.901 177.941 175.900 0.234 0.000 1.136 77 Y CA 1.496 59.667 58.100 0.118 0.000 1.147 77 Y CB -0.376 38.099 38.460 0.026 0.000 0.987 77 Y HN 0.030 nan 8.280 nan 0.000 0.509 78 L N -0.565 120.778 121.223 0.199 0.000 2.083 78 L HA -0.235 4.232 4.340 0.211 0.000 0.209 78 L C 2.712 179.776 176.870 0.323 0.000 1.083 78 L CA 1.181 56.195 54.840 0.290 0.000 0.752 78 L CB -0.915 41.442 42.059 0.498 0.000 0.899 78 L HN 0.293 nan 8.230 nan 0.000 0.433 79 A N -1.031 121.997 122.820 0.348 0.000 1.902 79 A HA -0.274 4.173 4.320 0.211 0.000 0.217 79 A C 2.296 179.957 177.584 0.128 0.000 1.181 79 A CA 1.595 53.807 52.037 0.292 0.000 0.623 79 A CB -0.907 18.292 19.000 0.332 0.000 0.818 79 A HN 0.497 nan 8.150 nan 0.000 0.443 80 H N 0.306 119.400 119.070 0.039 0.000 2.387 80 H HA -0.087 4.595 4.556 0.211 0.000 0.299 80 H C 0.764 176.026 175.328 -0.110 0.000 1.099 80 H CA 1.651 57.687 56.048 -0.021 0.000 1.315 80 H CB -0.029 29.736 29.762 0.005 0.000 1.380 80 H HN 0.364 nan 8.280 nan 0.000 0.513 81 N N -0.076 118.544 118.700 -0.133 0.000 2.449 81 N HA 0.011 4.878 4.740 0.211 0.000 0.191 81 N C 1.041 176.292 175.510 -0.433 0.000 1.161 81 N CA 0.903 53.817 53.050 -0.226 0.000 0.863 81 N CB 0.334 38.743 38.487 -0.131 0.000 0.980 81 N HN 0.618 nan 8.380 nan 0.000 0.458 82 G N -0.151 108.423 108.800 -0.377 0.000 2.141 82 G HA2 -0.270 3.816 3.960 0.211 0.000 0.231 82 G HA3 -0.270 3.816 3.960 0.211 0.000 0.231 82 G C 0.483 175.008 174.900 -0.625 0.000 0.984 82 G CA -0.170 44.644 45.100 -0.476 0.000 0.660 82 G HN 0.322 nan 8.290 nan 0.000 0.525 83 F N -0.488 119.324 119.950 -0.230 0.000 2.698 83 F HA 0.548 5.200 4.527 0.209 0.000 0.295 83 F C 1.005 176.283 175.800 -0.870 0.000 1.124 83 F CA 0.214 57.902 58.000 -0.520 0.000 1.426 83 F CB 0.167 38.821 39.000 -0.577 0.000 1.120 83 F HN 0.143 nan 8.300 nan 0.000 0.583 84 F N -1.123 118.914 119.950 0.145 0.000 2.645 84 F HA 0.334 4.989 4.527 0.212 0.000 0.310 84 F C -0.378 175.491 175.800 0.115 0.000 1.102 84 F CA -1.429 56.657 58.000 0.143 0.000 0.952 84 F CB 1.432 40.540 39.000 0.180 0.000 1.326 84 F HN -0.435 nan 8.300 nan 0.000 0.456 85 E N 2.248 122.644 120.200 0.327 0.000 2.145 85 E HA 0.483 4.959 4.350 0.211 0.000 0.270 85 E C -1.265 175.458 176.600 0.204 0.000 0.906 85 E CA -0.487 56.029 56.400 0.194 0.000 0.761 85 E CB 1.171 30.941 29.700 0.117 0.000 1.116 85 E HN 0.526 nan 8.360 nan 0.000 0.408 86 I N 5.661 126.330 120.570 0.165 0.000 2.379 86 I HA 0.134 4.431 4.170 0.211 0.000 0.290 86 I C -0.097 176.021 176.117 0.001 0.000 1.063 86 I CA -0.390 60.954 61.300 0.074 0.000 1.351 86 I CB 0.476 38.529 38.000 0.089 0.000 1.410 86 I HN 0.392 nan 8.210 nan 0.000 0.505 87 I N 5.742 126.276 120.570 -0.060 0.000 2.330 87 I HA 0.352 4.648 4.170 0.211 0.000 0.289 87 I C 0.189 176.258 176.117 -0.079 0.000 1.001 87 I CA -0.062 61.210 61.300 -0.046 0.000 1.193 87 I CB 1.057 39.039 38.000 -0.030 0.000 1.345 87 I HN 0.488 nan 8.210 nan 0.000 0.461 88 T N 5.355 119.879 114.554 -0.050 0.000 3.041 88 T HA 0.236 4.713 4.350 0.211 0.000 0.321 88 T C -0.553 174.130 174.700 -0.029 0.000 1.184 88 T CA -0.699 61.369 62.100 -0.052 0.000 1.050 88 T CB 1.313 70.147 68.868 -0.057 0.000 1.159 88 T HN 0.695 nan 8.240 nan 0.000 0.469 89 N N 4.000 122.684 118.700 -0.027 0.000 2.402 89 N HA 0.140 5.006 4.740 0.211 0.000 0.259 89 N C 0.301 175.803 175.510 -0.014 0.000 1.167 89 N CA -0.335 52.704 53.050 -0.017 0.000 0.949 89 N CB 0.456 38.934 38.487 -0.015 0.000 1.212 89 N HN 0.588 nan 8.380 nan 0.000 0.493 90 Q N 2.617 122.411 119.800 -0.010 0.000 2.414 90 Q HA -0.126 4.341 4.340 0.211 0.000 0.288 90 Q C -0.253 175.743 176.000 -0.006 0.000 1.086 90 Q CA 0.824 56.623 55.803 -0.006 0.000 0.943 90 Q CB 0.401 29.137 28.738 -0.003 0.000 1.282 90 Q HN 0.693 nan 8.270 nan 0.000 0.438 91 E N 0.438 120.635 120.200 -0.005 0.000 3.286 91 E HA -0.231 4.245 4.350 0.211 0.000 0.292 91 E C -1.173 175.423 176.600 -0.005 0.000 0.928 91 E CA 0.337 56.735 56.400 -0.004 0.000 0.982 91 E CB -0.897 28.801 29.700 -0.004 0.000 1.500 91 E HN 0.359 nan 8.360 nan 0.000 0.441 92 L N 1.083 122.302 121.223 -0.007 0.000 2.490 92 L HA 0.113 4.579 4.340 0.211 0.000 0.256 92 L C 1.275 178.139 176.870 -0.010 0.000 1.089 92 L CA -0.220 54.615 54.840 -0.008 0.000 0.916 92 L CB 1.198 43.251 42.059 -0.010 0.000 1.188 92 L HN 0.058 nan 8.230 nan 0.000 0.476 93 E N 1.330 121.525 120.200 -0.008 0.000 2.007 93 E HA -0.265 4.212 4.350 0.211 0.000 0.194 93 E C 1.230 177.825 176.600 -0.009 0.000 0.999 93 E CA 1.585 57.981 56.400 -0.008 0.000 0.811 93 E CB -0.360 29.337 29.700 -0.005 0.000 0.762 93 E HN 0.595 nan 8.360 nan 0.000 0.450 94 N N 2.157 120.852 118.700 -0.007 0.000 2.322 94 N HA -0.206 4.660 4.740 0.211 0.000 0.189 94 N C 0.202 175.706 175.510 -0.010 0.000 1.012 94 N CA 0.723 53.769 53.050 -0.007 0.000 0.880 94 N CB -0.067 38.417 38.487 -0.005 0.000 0.967 94 N HN 0.468 nan 8.380 nan 0.000 0.439 95 E N 0.946 121.138 120.200 -0.013 0.000 2.259 95 E HA 0.036 4.513 4.350 0.211 0.000 0.281 95 E C -0.312 176.271 176.600 -0.027 0.000 1.027 95 E CA -0.581 55.808 56.400 -0.018 0.000 0.838 95 E CB 0.691 30.380 29.700 -0.019 0.000 1.066 95 E HN 0.321 nan 8.360 nan 0.000 0.401 96 E N 3.576 123.756 120.200 -0.033 0.000 2.369 96 E HA 0.082 4.558 4.350 0.211 0.000 0.255 96 E C -0.272 176.276 176.600 -0.087 0.000 1.172 96 E CA -0.720 55.650 56.400 -0.050 0.000 0.932 96 E CB 0.571 30.246 29.700 -0.043 0.000 1.040 96 E HN 0.563 nan 8.360 nan 0.000 0.454 97 E N 0.055 120.173 120.200 -0.136 0.000 2.314 97 E HA 0.547 5.024 4.350 0.211 0.000 0.262 97 E C -0.961 175.409 176.600 -0.383 0.000 1.093 97 E CA -1.158 55.102 56.400 -0.233 0.000 0.908 97 E CB 1.200 30.746 29.700 -0.255 0.000 1.091 97 E HN 0.557 nan 8.360 nan 0.000 0.425 98 A N 1.303 123.864 122.820 -0.432 0.000 2.423 98 A HA 0.567 5.014 4.320 0.211 0.000 0.304 98 A C -1.803 175.450 177.584 -0.551 0.000 1.104 98 A CA -0.800 50.975 52.037 -0.436 0.000 0.757 98 A CB 0.927 19.828 19.000 -0.165 0.000 1.313 98 A HN 0.567 nan 8.150 nan 0.000 0.423 99 Y N 0.269 120.554 120.300 -0.025 0.000 2.328 99 Y HA 0.625 5.302 4.550 0.212 0.000 0.336 99 Y C 0.566 176.499 175.900 0.056 0.000 0.960 99 Y CA -0.353 57.743 58.100 -0.007 0.000 1.134 99 Y CB 1.817 40.188 38.460 -0.148 0.000 1.166 99 Y HN 0.880 nan 8.280 nan 0.000 0.464 100 A N 3.730 126.707 122.820 0.262 0.000 2.330 100 A HA 0.832 5.278 4.320 0.211 0.000 0.329 100 A C -0.761 177.012 177.584 0.315 0.000 1.135 100 A CA -0.840 51.332 52.037 0.226 0.000 0.817 100 A CB 0.868 19.954 19.000 0.143 0.000 1.269 100 A HN 0.805 nan 8.150 nan 0.000 0.469 101 L N 0.838 122.213 121.223 0.254 0.000 2.453 101 L HA 0.474 4.941 4.340 0.211 0.000 0.261 101 L C 1.067 178.002 176.870 0.109 0.000 1.179 101 L CA -0.258 54.713 54.840 0.218 0.000 0.813 101 L CB 1.123 43.286 42.059 0.174 0.000 1.110 101 L HN 0.952 nan 8.230 nan 0.000 0.466 102 T N -2.563 112.005 114.554 0.024 0.000 2.905 102 T HA 0.348 4.824 4.350 0.211 0.000 0.283 102 T C 0.971 175.649 174.700 -0.037 0.000 1.031 102 T CA -0.852 61.233 62.100 -0.025 0.000 1.002 102 T CB 1.447 70.257 68.868 -0.097 0.000 1.200 102 T HN 0.158 nan 8.240 nan 0.000 0.560 103 V N 1.099 120.983 119.914 -0.051 0.000 2.392 103 V HA -0.121 4.126 4.120 0.211 0.000 0.249 103 V C 3.122 179.185 176.094 -0.051 0.000 1.059 103 V CA 2.416 64.690 62.300 -0.044 0.000 1.051 103 V CB -1.636 30.156 31.823 -0.050 0.000 0.658 103 V HN 1.053 nan 8.190 nan 0.000 0.455 104 A N 0.857 123.623 122.820 -0.089 0.000 1.908 104 A HA -0.219 4.228 4.320 0.211 0.000 0.218 104 A C 2.494 180.090 177.584 0.021 0.000 1.181 104 A CA 2.431 54.434 52.037 -0.057 0.000 0.627 104 A CB -0.727 18.143 19.000 -0.217 0.000 0.818 104 A HN 0.693 nan 8.150 nan 0.000 0.445 105 S N -0.290 115.388 115.700 -0.036 0.000 2.461 105 S HA -0.061 4.536 4.470 0.211 0.000 0.228 105 S C 1.484 176.076 174.600 -0.014 0.000 1.005 105 S CA 0.961 59.124 58.200 -0.061 0.000 0.942 105 S CB -0.324 62.727 63.200 -0.249 0.000 0.776 105 S HN 0.681 nan 8.310 nan 0.000 0.514 106 E N 1.412 121.608 120.200 -0.006 0.000 2.150 106 E HA 0.034 4.510 4.350 0.211 0.000 0.193 106 E C 1.462 178.044 176.600 -0.030 0.000 0.985 106 E CA 0.800 57.197 56.400 -0.004 0.000 0.814 106 E CB -0.364 29.338 29.700 0.003 0.000 0.752 106 E HN 0.515 nan 8.360 nan 0.000 0.466 107 L N 0.710 121.919 121.223 -0.023 0.000 2.610 107 L HA -0.024 4.442 4.340 0.211 0.000 0.232 107 L C 1.526 178.378 176.870 -0.030 0.000 1.149 107 L CA 0.282 55.106 54.840 -0.026 0.000 0.872 107 L CB 0.102 42.153 42.059 -0.013 0.000 0.992 107 L HN 0.146 nan 8.230 nan 0.000 0.447 108 L N -1.166 120.038 121.223 -0.031 0.000 2.808 108 L HA 0.167 4.633 4.340 0.211 0.000 0.246 108 L C 0.295 177.138 176.870 -0.045 0.000 1.153 108 L CA -0.288 54.529 54.840 -0.039 0.000 0.956 108 L CB 0.889 42.922 42.059 -0.043 0.000 1.270 108 L HN -0.123 nan 8.230 nan 0.000 0.528 109 V N 2.013 121.890 119.914 -0.062 0.000 2.381 109 V HA 0.037 4.283 4.120 0.211 0.000 0.257 109 V C 0.624 176.655 176.094 -0.104 0.000 1.057 109 V CA -0.308 61.934 62.300 -0.096 0.000 1.013 109 V CB 0.034 31.740 31.823 -0.195 0.000 1.069 109 V HN 0.261 nan 8.190 nan 0.000 0.484 110 K N 3.608 123.962 120.400 -0.076 0.000 2.485 110 K HA 0.346 4.792 4.320 0.211 0.000 0.277 110 K C 1.317 177.872 176.600 -0.074 0.000 0.990 110 K CA 0.808 57.055 56.287 -0.067 0.000 0.994 110 K CB 0.362 32.832 32.500 -0.051 0.000 0.906 110 K HN 0.978 nan 8.250 nan 0.000 0.488 111 G N 1.244 110.005 108.800 -0.066 0.000 2.213 111 G HA2 -0.272 3.814 3.960 0.211 0.000 0.226 111 G HA3 -0.272 3.814 3.960 0.211 0.000 0.226 111 G C 0.247 175.106 174.900 -0.068 0.000 0.992 111 G CA 0.229 45.293 45.100 -0.059 0.000 0.632 111 G HN 0.738 nan 8.290 nan 0.000 0.511 112 T N -1.385 113.117 114.554 -0.086 0.000 2.922 112 T HA 0.639 5.115 4.350 0.211 0.000 0.285 112 T C 1.165 175.827 174.700 -0.063 0.000 1.005 112 T CA 0.402 62.452 62.100 -0.083 0.000 1.061 112 T CB 1.885 70.689 68.868 -0.107 0.000 1.007 112 T HN 0.241 nan 8.240 nan 0.000 0.502 113 E N 0.757 120.924 120.200 -0.054 0.000 2.118 113 E HA -0.096 4.381 4.350 0.211 0.000 0.195 113 E C 1.606 178.177 176.600 -0.049 0.000 0.992 113 E CA 1.124 57.496 56.400 -0.048 0.000 0.804 113 E CB -0.274 29.401 29.700 -0.043 0.000 0.741 113 E HN 0.608 nan 8.360 nan 0.000 0.458 114 L N 0.603 121.796 121.223 -0.050 0.000 2.592 114 L HA 0.123 4.590 4.340 0.211 0.000 0.227 114 L C 0.960 177.801 176.870 -0.047 0.000 1.127 114 L CA -0.662 54.149 54.840 -0.047 0.000 0.884 114 L CB 0.310 42.342 42.059 -0.045 0.000 1.065 114 L HN 0.126 nan 8.230 nan 0.000 0.457 115 C N 1.742 121.010 119.300 -0.054 0.000 2.409 115 C HA -0.042 4.545 4.460 0.211 0.000 0.399 115 C C 1.860 176.820 174.990 -0.051 0.000 1.505 115 C CA -0.077 58.909 59.018 -0.054 0.000 1.435 115 C CB -0.874 26.829 27.740 -0.062 0.000 2.462 115 C HN 0.430 nan 8.230 nan 0.000 0.619 116 L N 5.644 126.843 121.223 -0.041 0.000 2.591 116 L HA 0.082 4.549 4.340 0.211 0.000 0.228 116 L C 2.451 179.298 176.870 -0.039 0.000 1.133 116 L CA 0.645 55.465 54.840 -0.034 0.000 0.880 116 L CB -0.624 41.426 42.059 -0.015 0.000 1.033 116 L HN 0.891 nan 8.230 nan 0.000 0.450 117 A N 1.344 124.136 122.820 -0.046 0.000 1.908 117 A HA -0.126 4.320 4.320 0.211 0.000 0.218 117 A C -0.109 177.445 177.584 -0.049 0.000 1.181 117 A CA 1.614 53.621 52.037 -0.050 0.000 0.627 117 A CB -1.511 17.457 19.000 -0.053 0.000 0.818 117 A HN 0.265 nan 8.150 nan 0.000 0.445 118 P HA -0.175 nan 4.420 nan 0.000 0.215 118 P C 1.768 179.023 177.300 -0.075 0.000 1.157 118 P CA 1.592 64.647 63.100 -0.075 0.000 0.868 118 P CB -0.163 31.480 31.700 -0.094 0.000 0.788 119 M N -0.453 119.107 119.600 -0.066 0.000 2.108 119 M HA -0.129 4.477 4.480 0.211 0.000 0.261 119 M C 1.729 178.024 176.300 -0.009 0.000 1.066 119 M CA 1.910 57.183 55.300 -0.045 0.000 1.107 119 M CB -1.243 31.338 32.600 -0.033 0.000 1.356 119 M HN -0.289 nan 8.290 nan 0.000 0.406 120 V N 0.555 120.462 119.914 -0.011 0.000 2.295 120 V HA -0.280 3.966 4.120 0.211 0.000 0.246 120 V C 2.210 178.316 176.094 0.020 0.000 1.049 120 V CA 2.335 64.635 62.300 0.001 0.000 1.024 120 V CB -1.069 30.740 31.823 -0.023 0.000 0.648 120 V HN 0.538 nan 8.190 nan 0.000 0.447 121 E N -0.829 119.377 120.200 0.010 0.000 2.153 121 E HA -0.219 4.257 4.350 0.211 0.000 0.194 121 E C 2.266 178.918 176.600 0.086 0.000 0.988 121 E CA 1.615 58.037 56.400 0.037 0.000 0.811 121 E CB -0.329 29.379 29.700 0.012 0.000 0.746 121 E HN 0.609 nan 8.360 nan 0.000 0.466 122 C N 0.367 119.699 119.300 0.055 0.000 2.453 122 C HA -0.084 4.503 4.460 0.211 0.000 0.277 122 C C 2.781 177.943 174.990 0.286 0.000 1.262 122 C CA 0.292 59.399 59.018 0.149 0.000 1.718 122 C CB -0.650 27.061 27.740 -0.049 0.000 2.031 122 C HN 0.254 nan 8.230 nan 0.000 0.480 123 V N 1.014 121.022 119.914 0.157 0.000 2.343 123 V HA -0.166 4.080 4.120 0.211 0.000 0.247 123 V C 1.797 177.960 176.094 0.115 0.000 1.051 123 V CA 1.652 64.031 62.300 0.131 0.000 1.036 123 V CB -0.493 31.374 31.823 0.074 0.000 0.654 123 V HN 0.568 nan 8.190 nan 0.000 0.451 124 L N 0.430 121.716 121.223 0.105 0.000 2.688 124 L HA 0.173 4.640 4.340 0.211 0.000 0.234 124 L C 0.808 177.752 176.870 0.123 0.000 1.192 124 L CA -0.055 54.843 54.840 0.097 0.000 0.984 124 L CB -0.382 41.724 42.059 0.079 0.000 1.232 124 L HN 0.362 nan 8.230 nan 0.000 0.465 125 D N 1.437 121.933 120.400 0.161 0.000 2.450 125 D HA -0.005 4.762 4.640 0.211 0.000 0.247 125 D C -1.611 174.762 176.300 0.121 0.000 1.162 125 D CA -1.313 52.793 54.000 0.176 0.000 0.879 125 D CB 1.855 42.800 40.800 0.242 0.000 1.163 125 D HN -0.050 nan 8.370 nan 0.000 0.472 126 P HA -0.166 nan 4.420 nan 0.000 0.215 126 P C 1.299 178.652 177.300 0.088 0.000 1.163 126 P CA 1.673 64.835 63.100 0.104 0.000 0.894 126 P CB 0.123 31.882 31.700 0.099 0.000 0.791 127 T N -0.541 114.062 114.554 0.082 0.000 2.708 127 T HA -0.109 4.368 4.350 0.211 0.000 0.266 127 T C 1.765 176.432 174.700 -0.054 0.000 1.037 127 T CA 1.157 63.279 62.100 0.037 0.000 1.146 127 T CB -0.886 68.046 68.868 0.107 0.000 0.865 127 T HN 0.046 nan 8.240 nan 0.000 0.435 128 L N 1.333 122.467 121.223 -0.149 0.000 2.023 128 L HA -0.080 4.386 4.340 0.211 0.000 0.205 128 L C 3.010 179.996 176.870 0.193 0.000 1.073 128 L CA 1.519 56.282 54.840 -0.130 0.000 0.745 128 L CB -0.842 41.019 42.059 -0.330 0.000 0.900 128 L HN 0.369 nan 8.230 nan 0.000 0.435 129 S N -0.723 115.081 115.700 0.173 0.000 2.383 129 S HA -0.200 4.397 4.470 0.211 0.000 0.229 129 S C 1.981 176.731 174.600 0.250 0.000 1.030 129 S CA 1.601 59.935 58.200 0.223 0.000 1.002 129 S CB -1.160 62.102 63.200 0.103 0.000 0.829 129 S HN 0.594 nan 8.310 nan 0.000 0.467 130 T N -0.654 114.013 114.554 0.188 0.000 3.007 130 T HA 0.061 4.538 4.350 0.211 0.000 0.270 130 T C 1.797 176.620 174.700 0.206 0.000 1.107 130 T CA 1.155 63.395 62.100 0.233 0.000 1.118 130 T CB -0.799 68.180 68.868 0.185 0.000 0.889 130 T HN 0.363 nan 8.240 nan 0.000 0.506 131 S N 1.177 116.954 115.700 0.128 0.000 2.419 131 S HA 0.039 4.636 4.470 0.211 0.000 0.235 131 S C 1.190 175.686 174.600 -0.173 0.000 1.019 131 S CA 0.827 58.997 58.200 -0.051 0.000 0.982 131 S CB -0.642 62.463 63.200 -0.158 0.000 0.789 131 S HN 0.626 nan 8.310 nan 0.000 0.490 132 F N 0.852 120.722 119.950 -0.133 0.000 2.641 132 F HA -0.023 4.627 4.527 0.204 0.000 0.298 132 F C 2.222 177.929 175.800 -0.155 0.000 1.146 132 F CA 0.637 58.524 58.000 -0.188 0.000 1.464 132 F CB -0.292 38.590 39.000 -0.197 0.000 1.101 132 F HN 0.320 nan 8.300 nan 0.000 0.585 133 H N -0.540 118.559 119.070 0.048 0.000 2.524 133 H HA 0.065 4.748 4.556 0.211 0.000 0.282 133 H C 0.708 176.034 175.328 -0.003 0.000 1.016 133 H CA 0.833 56.887 56.048 0.009 0.000 1.270 133 H CB 0.083 29.835 29.762 -0.017 0.000 1.394 133 H HN 0.194 nan 8.280 nan 0.000 0.568 134 N N 0.765 119.508 118.700 0.073 0.000 2.458 134 N HA 0.077 4.944 4.740 0.211 0.000 0.274 134 N C 1.432 176.974 175.510 0.053 0.000 1.242 134 N CA -0.036 53.043 53.050 0.048 0.000 0.904 134 N CB 0.578 39.077 38.487 0.021 0.000 1.206 134 N HN 0.277 nan 8.380 nan 0.000 0.510 135 L N 0.160 121.423 121.223 0.068 0.000 2.131 135 L HA -0.151 4.315 4.340 0.211 0.000 0.210 135 L C 2.494 179.514 176.870 0.252 0.000 1.092 135 L CA 1.272 56.227 54.840 0.192 0.000 0.759 135 L CB -0.111 42.057 42.059 0.181 0.000 0.903 135 L HN 0.212 nan 8.230 nan 0.000 0.435 136 K N 0.932 121.428 120.400 0.161 0.000 2.002 136 K HA -0.262 4.185 4.320 0.211 0.000 0.209 136 K C 2.253 178.981 176.600 0.214 0.000 1.048 136 K CA 1.711 58.096 56.287 0.164 0.000 0.930 136 K CB -0.058 32.535 32.500 0.154 0.000 0.714 136 K HN 0.055 nan 8.250 nan 0.000 0.438 137 K N -0.304 120.205 120.400 0.180 0.000 2.103 137 K HA -0.220 4.227 4.320 0.211 0.000 0.207 137 K C 2.007 178.713 176.600 0.177 0.000 1.048 137 K CA 1.808 58.196 56.287 0.167 0.000 0.930 137 K CB -0.347 32.214 32.500 0.102 0.000 0.716 137 K HN 0.387 nan 8.250 nan 0.000 0.444 138 W N 1.367 122.644 121.300 -0.039 0.000 2.358 138 W HA -0.207 4.581 4.660 0.213 0.000 0.303 138 W C 1.608 178.066 176.519 -0.101 0.000 1.208 138 W CA 1.902 59.190 57.345 -0.097 0.000 1.274 138 W CB -0.504 28.847 29.460 -0.182 0.000 1.138 138 W HN -0.011 nan 8.180 nan 0.000 0.515 139 V N -1.562 118.084 119.914 -0.446 0.000 2.913 139 V HA -0.177 4.070 4.120 0.211 0.000 0.260 139 V C 1.308 177.030 176.094 -0.621 0.000 1.098 139 V CA 1.431 63.259 62.300 -0.787 0.000 1.121 139 V CB -1.641 29.796 31.823 -0.644 0.000 0.714 139 V HN 0.281 nan 8.190 nan 0.000 0.487 140 Y N 0.352 120.519 120.300 -0.222 0.000 2.470 140 Y HA 0.393 5.070 4.550 0.212 0.000 0.284 140 Y C 0.920 176.738 175.900 -0.136 0.000 1.188 140 Y CA -0.167 57.842 58.100 -0.150 0.000 1.269 140 Y CB 0.418 38.825 38.460 -0.089 0.000 1.094 140 Y HN 0.310 nan 8.280 nan 0.000 0.518 141 E N 0.798 120.945 120.200 -0.088 0.000 2.187 141 E HA 0.140 4.616 4.350 0.211 0.000 0.268 141 E C -0.898 175.630 176.600 -0.119 0.000 0.896 141 E CA -0.754 55.611 56.400 -0.059 0.000 0.766 141 E CB 1.815 31.510 29.700 -0.008 0.000 1.142 141 E HN 0.135 nan 8.360 nan 0.000 0.408 142 E N 2.189 122.345 120.200 -0.073 0.000 2.366 142 E HA -0.014 4.463 4.350 0.211 0.000 0.266 142 E C -0.160 176.405 176.600 -0.060 0.000 1.015 142 E CA 0.540 56.893 56.400 -0.079 0.000 0.906 142 E CB 0.181 29.852 29.700 -0.048 0.000 0.979 142 E HN 0.386 nan 8.360 nan 0.000 0.443 143 D N 1.359 121.717 120.400 -0.070 0.000 2.304 143 D HA -0.250 4.517 4.640 0.211 0.000 0.162 143 D C -0.185 176.122 176.300 0.011 0.000 1.458 143 D CA 0.971 54.954 54.000 -0.029 0.000 1.334 143 D CB -0.900 39.890 40.800 -0.017 0.000 1.250 143 D HN 0.276 nan 8.370 nan 0.000 0.458 144 L N 2.181 123.420 121.223 0.027 0.000 2.416 144 L HA 0.233 4.700 4.340 0.211 0.000 0.272 144 L C 1.640 178.636 176.870 0.209 0.000 1.161 144 L CA 0.375 55.267 54.840 0.086 0.000 0.845 144 L CB 0.613 42.721 42.059 0.082 0.000 1.119 144 L HN 0.185 nan 8.230 nan 0.000 0.464 145 T N 0.062 114.701 114.554 0.142 0.000 2.813 145 T HA 0.169 4.646 4.350 0.211 0.000 0.297 145 T C 1.230 175.836 174.700 -0.157 0.000 1.036 145 T CA -0.559 61.586 62.100 0.075 0.000 1.044 145 T CB 0.524 69.392 68.868 -0.000 0.000 0.993 145 T HN 0.485 nan 8.240 nan 0.000 0.535 146 L N 0.814 121.533 121.223 -0.839 0.000 2.042 146 L HA 0.039 4.506 4.340 0.211 0.000 0.210 146 L C 2.024 178.405 176.870 -0.814 0.000 1.076 146 L CA 1.841 55.907 54.840 -1.289 0.000 0.749 146 L CB -1.136 39.732 42.059 -1.986 0.000 0.893 146 L HN 0.771 nan 8.230 nan 0.000 0.432 147 F N -0.220 119.521 119.950 -0.348 0.000 2.206 147 F HA -0.002 4.651 4.527 0.211 0.000 0.298 147 F C 2.547 178.262 175.800 -0.142 0.000 1.090 147 F CA 0.895 58.744 58.000 -0.253 0.000 1.323 147 F CB -1.590 37.261 39.000 -0.249 0.000 1.028 147 F HN 0.164 nan 8.300 nan 0.000 0.492 148 A N 0.153 123.001 122.820 0.047 0.000 1.908 148 A HA -0.122 4.325 4.320 0.211 0.000 0.218 148 A C 2.387 179.987 177.584 0.027 0.000 1.181 148 A CA 2.046 54.112 52.037 0.049 0.000 0.627 148 A CB -1.210 17.821 19.000 0.051 0.000 0.818 148 A HN 0.193 nan 8.150 nan 0.000 0.445 149 V N 0.686 120.604 119.914 0.007 0.000 2.323 149 V HA -0.204 4.042 4.120 0.211 0.000 0.244 149 V C 2.455 178.547 176.094 -0.004 0.000 1.041 149 V CA 2.085 64.399 62.300 0.024 0.000 1.025 149 V CB -0.790 31.081 31.823 0.079 0.000 0.656 149 V HN 0.718 nan 8.190 nan 0.000 0.451 150 N N -0.148 118.520 118.700 -0.052 0.000 2.333 150 N HA 0.012 4.879 4.740 0.211 0.000 0.178 150 N C 1.533 177.040 175.510 -0.004 0.000 1.018 150 N CA 1.052 54.078 53.050 -0.042 0.000 0.882 150 N CB 0.263 38.689 38.487 -0.102 0.000 0.984 150 N HN 0.421 nan 8.380 nan 0.000 0.434 151 L N -1.109 120.124 121.223 0.016 0.000 2.664 151 L HA 0.323 4.790 4.340 0.211 0.000 0.233 151 L C 1.189 178.086 176.870 0.044 0.000 1.113 151 L CA 0.349 55.209 54.840 0.034 0.000 0.896 151 L CB 0.308 42.383 42.059 0.026 0.000 1.163 151 L HN 0.118 nan 8.230 nan 0.000 0.497 152 G N 1.360 110.183 108.800 0.039 0.000 2.153 152 G HA2 -0.303 3.784 3.960 0.211 0.000 0.252 152 G HA3 -0.303 3.784 3.960 0.211 0.000 0.252 152 G C 0.160 175.089 174.900 0.049 0.000 0.994 152 G CA 0.291 45.415 45.100 0.039 0.000 0.698 152 G HN 0.538 nan 8.290 nan 0.000 0.521 153 C N -1.433 117.905 119.300 0.063 0.000 3.321 153 C HA 0.817 5.403 4.460 0.211 0.000 0.329 153 C C -0.273 174.769 174.990 0.087 0.000 1.394 153 C CA -0.440 58.623 59.018 0.074 0.000 1.291 153 C CB 1.587 29.381 27.740 0.089 0.000 1.606 153 C HN 0.708 nan 8.230 nan 0.000 0.463 154 D N 0.773 121.230 120.400 0.096 0.000 2.332 154 D HA 0.404 5.171 4.640 0.211 0.000 0.252 154 D C 1.067 177.419 176.300 0.087 0.000 1.050 154 D CA -1.056 53.007 54.000 0.106 0.000 0.970 154 D CB 0.618 41.487 40.800 0.115 0.000 1.141 154 D HN 0.613 nan 8.370 nan 0.000 0.485 155 L N -0.304 120.926 121.223 0.010 0.000 2.137 155 L HA -0.165 4.301 4.340 0.211 0.000 0.213 155 L C 2.114 179.002 176.870 0.031 0.000 1.085 155 L CA 1.128 55.912 54.840 -0.093 0.000 0.760 155 L CB -0.345 41.614 42.059 -0.168 0.000 0.893 155 L HN 0.562 nan 8.230 nan 0.000 0.434 156 W N 1.494 122.763 121.300 -0.052 0.000 2.355 156 W HA -0.189 4.574 4.660 0.172 0.000 0.309 156 W C 2.270 178.768 176.519 -0.035 0.000 1.206 156 W CA 1.859 59.173 57.345 -0.051 0.000 1.284 156 W CB -0.103 29.338 29.460 -0.031 0.000 1.145 156 W HN 0.266 nan 8.180 nan 0.000 0.502 157 E N -0.700 119.662 120.200 0.269 0.000 2.106 157 E HA -0.225 4.252 4.350 0.211 0.000 0.192 157 E C 2.005 178.647 176.600 0.069 0.000 0.984 157 E CA 1.334 57.832 56.400 0.164 0.000 0.806 157 E CB -0.794 28.986 29.700 0.133 0.000 0.750 157 E HN 0.141 nan 8.360 nan 0.000 0.458 158 F N 1.437 121.329 119.950 -0.098 0.000 2.102 158 F HA -0.202 4.446 4.527 0.202 0.000 0.298 158 F C 2.077 177.757 175.800 -0.200 0.000 1.105 158 F CA 0.983 58.872 58.000 -0.186 0.000 1.239 158 F CB -0.206 38.603 39.000 -0.319 0.000 0.991 158 F HN -0.021 nan 8.300 nan 0.000 0.474 159 L N 1.119 122.256 121.223 -0.144 0.000 2.012 159 L HA -0.279 4.188 4.340 0.211 0.000 0.210 159 L C 2.350 179.087 176.870 -0.222 0.000 1.073 159 L CA 2.184 56.903 54.840 -0.202 0.000 0.748 159 L CB -1.231 40.623 42.059 -0.343 0.000 0.891 159 L HN 0.336 nan 8.230 nan 0.000 0.431 160 N N 0.603 119.199 118.700 -0.175 0.000 2.289 160 N HA -0.214 4.653 4.740 0.211 0.000 0.184 160 N C 1.171 176.607 175.510 -0.123 0.000 1.016 160 N CA 1.514 54.497 53.050 -0.110 0.000 0.872 160 N CB 0.052 38.533 38.487 -0.011 0.000 0.973 160 N HN 0.617 nan 8.380 nan 0.000 0.433 161 K N -0.933 119.356 120.400 -0.186 0.000 2.498 161 K HA 0.219 4.666 4.320 0.211 0.000 0.207 161 K C -0.512 175.915 176.600 -0.289 0.000 1.033 161 K CA -0.316 55.856 56.287 -0.192 0.000 1.138 161 K CB 0.324 32.732 32.500 -0.153 0.000 0.860 161 K HN -0.073 nan 8.250 nan 0.000 0.490 162 N N 1.648 120.147 118.700 -0.335 0.000 2.710 162 N HA 0.133 4.999 4.740 0.211 0.000 0.244 162 N C -2.600 172.818 175.510 -0.153 0.000 1.321 162 N CA -1.161 51.687 53.050 -0.336 0.000 0.758 162 N CB 1.927 39.980 38.487 -0.724 0.000 1.284 162 N HN -0.097 nan 8.380 nan 0.000 0.530 163 P HA -0.162 nan 4.420 nan 0.000 0.216 163 P C 1.078 178.364 177.300 -0.023 0.000 1.153 163 P CA 1.455 64.522 63.100 -0.054 0.000 0.858 163 P CB 0.619 32.290 31.700 -0.048 0.000 0.789 164 E N -1.698 118.496 120.200 -0.011 0.000 2.038 164 E HA -0.252 4.224 4.350 0.211 0.000 0.195 164 E C 2.073 178.700 176.600 0.045 0.000 1.000 164 E CA 1.236 57.645 56.400 0.016 0.000 0.803 164 E CB -0.833 28.885 29.700 0.030 0.000 0.750 164 E HN 0.311 nan 8.360 nan 0.000 0.448 165 Y N 1.987 122.257 120.300 -0.049 0.000 2.145 165 Y HA -0.263 4.407 4.550 0.200 0.000 0.286 165 Y C 2.213 178.120 175.900 0.012 0.000 1.145 165 Y CA 1.927 60.027 58.100 0.000 0.000 1.148 165 Y CB -0.282 38.175 38.460 -0.005 0.000 0.981 165 Y HN -0.011 nan 8.280 nan 0.000 0.507 166 N N -0.783 117.949 118.700 0.053 0.000 2.094 166 N HA -0.192 4.675 4.740 0.211 0.000 0.191 166 N C 1.663 177.158 175.510 -0.025 0.000 1.023 166 N CA 2.303 55.346 53.050 -0.010 0.000 0.857 166 N CB -0.470 37.993 38.487 -0.039 0.000 1.013 166 N HN 0.373 nan 8.380 nan 0.000 0.426 167 T N 0.497 115.028 114.554 -0.038 0.000 2.708 167 T HA -0.069 4.407 4.350 0.211 0.000 0.266 167 T C 1.875 176.532 174.700 -0.071 0.000 1.037 167 T CA 1.133 63.207 62.100 -0.043 0.000 1.146 167 T CB -0.296 68.551 68.868 -0.035 0.000 0.865 167 T HN 0.168 nan 8.240 nan 0.000 0.435 168 L N -0.508 120.647 121.223 -0.112 0.000 2.056 168 L HA -0.075 4.391 4.340 0.211 0.000 0.207 168 L C 2.359 179.113 176.870 -0.193 0.000 1.078 168 L CA 1.437 56.185 54.840 -0.154 0.000 0.749 168 L CB -0.599 41.350 42.059 -0.183 0.000 0.901 168 L HN 0.239 nan 8.230 nan 0.000 0.433 169 Y N 1.338 121.395 120.300 -0.405 0.000 2.114 169 Y HA -0.325 4.302 4.550 0.128 0.000 0.282 169 Y C 2.546 178.332 175.900 -0.190 0.000 1.165 169 Y CA 1.893 59.782 58.100 -0.352 0.000 1.148 169 Y CB -0.245 37.996 38.460 -0.364 0.000 0.972 169 Y HN 0.242 nan 8.280 nan 0.000 0.504 170 N N 0.243 118.901 118.700 -0.069 0.000 2.244 170 N HA -0.160 4.706 4.740 0.211 0.000 0.183 170 N C 1.343 176.770 175.510 -0.138 0.000 1.016 170 N CA 1.486 54.476 53.050 -0.099 0.000 0.866 170 N CB -0.415 38.058 38.487 -0.022 0.000 0.980 170 N HN 0.481 nan 8.380 nan 0.000 0.430 171 D N 1.005 121.330 120.400 -0.125 0.000 2.117 171 D HA -0.024 4.742 4.640 0.211 0.000 0.198 171 D C 1.822 178.038 176.300 -0.139 0.000 0.982 171 D CA 0.812 54.746 54.000 -0.111 0.000 0.828 171 D CB -0.176 40.569 40.800 -0.092 0.000 0.967 171 D HN 0.185 nan 8.370 nan 0.000 0.464 172 A N 0.766 123.471 122.820 -0.192 0.000 1.933 172 A HA -0.126 4.321 4.320 0.211 0.000 0.218 172 A C 2.399 179.851 177.584 -0.219 0.000 1.175 172 A CA 0.867 52.782 52.037 -0.203 0.000 0.628 172 A CB -0.720 18.131 19.000 -0.249 0.000 0.814 172 A HN 0.202 nan 8.150 nan 0.000 0.444 173 L N -0.975 120.069 121.223 -0.298 0.000 2.056 173 L HA -0.186 4.280 4.340 0.211 0.000 0.207 173 L C 3.128 179.921 176.870 -0.127 0.000 1.078 173 L CA 1.020 55.716 54.840 -0.241 0.000 0.749 173 L CB -0.562 41.333 42.059 -0.273 0.000 0.901 173 L HN 0.454 nan 8.230 nan 0.000 0.433 174 A N -0.558 122.195 122.820 -0.111 0.000 1.877 174 A HA -0.201 4.246 4.320 0.211 0.000 0.216 174 A C 2.500 180.047 177.584 -0.062 0.000 1.186 174 A CA 2.134 54.128 52.037 -0.070 0.000 0.620 174 A CB -0.672 18.290 19.000 -0.063 0.000 0.822 174 A HN 0.371 nan 8.150 nan 0.000 0.443 175 S N -0.472 115.184 115.700 -0.072 0.000 2.368 175 S HA -0.194 4.403 4.470 0.211 0.000 0.225 175 S C 1.735 176.306 174.600 -0.048 0.000 1.030 175 S CA 1.653 59.818 58.200 -0.060 0.000 0.999 175 S CB -0.462 62.700 63.200 -0.065 0.000 0.844 175 S HN 0.769 nan 8.310 nan 0.000 0.459 176 D N 0.605 120.974 120.400 -0.052 0.000 2.178 176 D HA -0.067 4.700 4.640 0.211 0.000 0.202 176 D C 2.012 178.309 176.300 -0.005 0.000 0.974 176 D CA 1.097 55.082 54.000 -0.025 0.000 0.841 176 D CB -0.135 40.647 40.800 -0.030 0.000 0.953 176 D HN 0.271 nan 8.370 nan 0.000 0.478 177 S N -0.684 115.005 115.700 -0.017 0.000 2.368 177 S HA -0.171 4.425 4.470 0.211 0.000 0.225 177 S C 1.813 176.410 174.600 -0.005 0.000 1.030 177 S CA 1.193 59.392 58.200 -0.002 0.000 0.999 177 S CB -0.128 63.065 63.200 -0.012 0.000 0.844 177 S HN 0.066 nan 8.310 nan 0.000 0.459 178 K N 0.635 121.022 120.400 -0.022 0.000 2.148 178 K HA 0.110 4.556 4.320 0.211 0.000 0.204 178 K C 1.962 178.542 176.600 -0.034 0.000 1.050 178 K CA 1.170 57.439 56.287 -0.031 0.000 0.942 178 K CB -0.395 32.083 32.500 -0.038 0.000 0.724 178 K HN 0.361 nan 8.250 nan 0.000 0.446 179 M N 0.282 119.866 119.600 -0.027 0.000 2.132 179 M HA -0.044 4.563 4.480 0.211 0.000 0.263 179 M C 1.335 177.610 176.300 -0.042 0.000 1.065 179 M CA 1.430 56.708 55.300 -0.037 0.000 1.122 179 M CB -0.031 32.557 32.600 -0.019 0.000 1.365 179 M HN -0.007 nan 8.290 nan 0.000 0.411 180 I N 0.256 120.843 120.570 0.028 0.000 2.252 180 I HA -0.241 4.056 4.170 0.211 0.000 0.245 180 I C 2.156 178.305 176.117 0.052 0.000 1.102 180 I CA 1.376 62.749 61.300 0.121 0.000 1.385 180 I CB -2.096 36.020 38.000 0.193 0.000 1.064 180 I HN 0.432 nan 8.210 nan 0.000 0.414 181 N N 1.458 120.162 118.700 0.006 0.000 2.069 181 N HA -0.222 4.645 4.740 0.211 0.000 0.191 181 N C 1.846 177.313 175.510 -0.072 0.000 1.031 181 N CA 1.285 54.317 53.050 -0.030 0.000 0.852 181 N CB -0.268 38.194 38.487 -0.042 0.000 1.018 181 N HN 0.203 nan 8.380 nan 0.000 0.423 182 L N 0.377 121.546 121.223 -0.090 0.000 2.042 182 L HA 0.007 4.474 4.340 0.211 0.000 0.210 182 L C 2.119 178.884 176.870 -0.175 0.000 1.076 182 L CA 2.080 56.852 54.840 -0.114 0.000 0.749 182 L CB -1.120 40.876 42.059 -0.106 0.000 0.893 182 L HN 0.254 nan 8.230 nan 0.000 0.432 183 A N -0.904 121.738 122.820 -0.296 0.000 1.902 183 A HA -0.201 4.246 4.320 0.211 0.000 0.217 183 A C 2.225 179.571 177.584 -0.396 0.000 1.181 183 A CA 1.984 53.642 52.037 -0.632 0.000 0.623 183 A CB -0.565 17.543 19.000 -1.487 0.000 0.818 183 A HN 0.481 nan 8.150 nan 0.000 0.443 184 M N -0.199 119.353 119.600 -0.079 0.000 2.267 184 M HA -0.120 4.486 4.480 0.211 0.000 0.263 184 M C 1.670 178.042 176.300 0.120 0.000 1.063 184 M CA 1.240 56.657 55.300 0.194 0.000 1.090 184 M CB -0.903 31.775 32.600 0.130 0.000 1.392 184 M HN 0.278 nan 8.290 nan 0.000 0.422 185 K N 0.237 120.624 120.400 -0.022 0.000 2.152 185 K HA -0.119 4.328 4.320 0.211 0.000 0.206 185 K C 1.029 177.662 176.600 0.055 0.000 1.048 185 K CA 1.040 57.303 56.287 -0.040 0.000 0.933 185 K CB -0.516 31.940 32.500 -0.074 0.000 0.721 185 K HN 0.406 nan 8.250 nan 0.000 0.447 186 D N -0.425 120.017 120.400 0.070 0.000 2.342 186 D HA 0.028 4.794 4.640 0.211 0.000 0.221 186 D C 0.289 176.701 176.300 0.187 0.000 1.101 186 D CA 0.136 54.194 54.000 0.096 0.000 0.837 186 D CB 0.068 40.888 40.800 0.033 0.000 0.938 186 D HN 0.083 nan 8.370 nan 0.000 0.508 187 C N 1.947 121.449 119.300 0.336 0.000 2.688 187 C HA 0.041 4.628 4.460 0.211 0.000 0.297 187 C C 2.224 177.484 174.990 0.449 0.000 1.308 187 C CA -0.871 58.401 59.018 0.424 0.000 1.726 187 C CB -1.164 26.981 27.740 0.675 0.000 1.982 187 C HN 0.406 nan 8.230 nan 0.000 0.604 188 N N 1.727 120.694 118.700 0.445 0.000 2.137 188 N HA -0.174 4.693 4.740 0.211 0.000 0.190 188 N C 1.236 176.826 175.510 0.133 0.000 1.017 188 N CA 1.428 54.718 53.050 0.401 0.000 0.859 188 N CB -0.411 38.284 38.487 0.348 0.000 1.002 188 N HN 0.329 nan 8.380 nan 0.000 0.428 189 L N 0.720 121.996 121.223 0.088 0.000 2.191 189 L HA -0.020 4.446 4.340 0.211 0.000 0.212 189 L C 2.474 179.297 176.870 -0.078 0.000 1.103 189 L CA 0.642 55.488 54.840 0.010 0.000 0.769 189 L CB -0.508 41.560 42.059 0.016 0.000 0.908 189 L HN 0.039 nan 8.230 nan 0.000 0.438 190 V N -2.151 117.674 119.914 -0.148 0.000 2.446 190 V HA -0.135 4.112 4.120 0.211 0.000 0.244 190 V C 1.883 177.603 176.094 -0.624 0.000 1.039 190 V CA 1.365 63.420 62.300 -0.409 0.000 1.045 190 V CB -0.383 31.081 31.823 -0.599 0.000 0.681 190 V HN 0.237 nan 8.190 nan 0.000 0.459 191 F N 0.593 120.310 119.950 -0.388 0.000 2.559 191 F HA 0.098 4.750 4.527 0.209 0.000 0.286 191 F C 2.406 177.876 175.800 -0.550 0.000 1.108 191 F CA 0.636 58.255 58.000 -0.636 0.000 1.436 191 F CB -0.426 37.717 39.000 -1.428 0.000 1.130 191 F HN 0.216 nan 8.300 nan 0.000 0.584 192 E N 0.436 120.485 120.200 -0.251 0.000 2.284 192 E HA -0.181 4.295 4.350 0.211 0.000 0.200 192 E C 1.946 178.530 176.600 -0.028 0.000 1.008 192 E CA 1.456 57.819 56.400 -0.061 0.000 0.829 192 E CB -0.630 29.107 29.700 0.062 0.000 0.744 192 E HN 0.407 nan 8.360 nan 0.000 0.491 193 G N 0.818 109.585 108.800 -0.056 0.000 3.126 193 G HA2 0.227 4.313 3.960 0.211 0.000 0.224 193 G HA3 0.227 4.313 3.960 0.211 0.000 0.224 193 G C 0.401 175.281 174.900 -0.034 0.000 1.142 193 G CA -0.475 44.606 45.100 -0.032 0.000 0.759 193 G HN 0.039 nan 8.290 nan 0.000 0.550 194 L N 0.379 121.575 121.223 -0.046 0.000 2.375 194 L HA 0.364 4.831 4.340 0.211 0.000 0.271 194 L C 1.017 177.884 176.870 -0.005 0.000 1.107 194 L CA -0.361 54.461 54.840 -0.030 0.000 0.806 194 L CB 1.571 43.613 42.059 -0.029 0.000 1.146 194 L HN 0.133 nan 8.230 nan 0.000 0.447 195 E N 0.518 120.716 120.200 -0.003 0.000 2.389 195 E HA 0.051 4.527 4.350 0.211 0.000 0.199 195 E C -0.096 176.509 176.600 0.007 0.000 0.978 195 E CA 0.202 56.606 56.400 0.006 0.000 0.912 195 E CB 0.802 30.503 29.700 0.001 0.000 0.907 195 E HN 0.687 nan 8.360 nan 0.000 0.494 196 S N 0.111 115.813 115.700 0.002 0.000 2.556 196 S HA 0.652 5.248 4.470 0.211 0.000 0.271 196 S C -0.911 173.691 174.600 0.004 0.000 1.135 196 S CA -0.941 57.260 58.200 0.002 0.000 0.858 196 S CB 2.193 65.388 63.200 -0.009 0.000 1.114 196 S HN 0.148 nan 8.310 nan 0.000 0.468 197 I N 1.315 121.890 120.570 0.009 0.000 2.827 197 I HA 0.694 4.991 4.170 0.211 0.000 0.298 197 I C -1.882 174.238 176.117 0.006 0.000 1.235 197 I CA -0.998 60.312 61.300 0.018 0.000 1.021 197 I CB 2.109 40.151 38.000 0.070 0.000 1.259 197 I HN 0.668 nan 8.210 nan 0.000 0.427 198 V N 4.851 124.764 119.914 -0.001 0.000 2.444 198 V HA 0.337 4.583 4.120 0.211 0.000 0.294 198 V C -0.826 175.289 176.094 0.035 0.000 1.022 198 V CA -0.504 61.797 62.300 0.002 0.000 0.850 198 V CB 1.570 33.360 31.823 -0.056 0.000 0.992 198 V HN 0.610 nan 8.190 nan 0.000 0.426 199 D N 4.188 124.630 120.400 0.071 0.000 2.441 199 D HA 0.243 5.009 4.640 0.211 0.000 0.221 199 D C -0.203 176.191 176.300 0.157 0.000 1.156 199 D CA -0.050 54.002 54.000 0.087 0.000 0.896 199 D CB 1.291 42.134 40.800 0.072 0.000 1.028 199 D HN 0.262 nan 8.370 nan 0.000 0.509 200 V N 3.541 123.547 119.914 0.153 0.000 2.439 200 V HA 0.398 4.644 4.120 0.211 0.000 0.271 200 V C 1.531 177.741 176.094 0.194 0.000 1.040 200 V CA 0.405 62.859 62.300 0.256 0.000 1.002 200 V CB 0.705 32.626 31.823 0.164 0.000 1.000 200 V HN 0.853 nan 8.190 nan 0.000 0.477 201 G N 4.305 113.220 108.800 0.192 0.000 2.212 201 G HA2 -0.177 3.909 3.960 0.211 0.000 0.255 201 G HA3 -0.177 3.909 3.960 0.211 0.000 0.255 201 G C 0.841 175.820 174.900 0.133 0.000 1.062 201 G CA 0.137 45.322 45.100 0.141 0.000 0.815 201 G HN 1.290 nan 8.290 nan 0.000 0.497 202 G N -0.445 108.436 108.800 0.135 0.000 2.679 202 G HA2 0.464 4.551 3.960 0.211 0.000 0.212 202 G HA3 0.464 4.551 3.960 0.211 0.000 0.212 202 G C 1.813 176.797 174.900 0.139 0.000 1.137 202 G CA 1.522 46.700 45.100 0.131 0.000 0.787 202 G HN 2.114 nan 8.290 nan 0.000 0.534 203 G N 1.188 110.068 108.800 0.133 0.000 2.574 203 G HA2 -0.410 3.676 3.960 0.211 0.000 0.286 203 G HA3 -0.410 3.676 3.960 0.211 0.000 0.286 203 G C 0.984 175.975 174.900 0.151 0.000 1.212 203 G CA 0.554 45.733 45.100 0.132 0.000 0.979 203 G HN 0.979 nan 8.290 nan 0.000 0.557 204 N N 1.817 120.599 118.700 0.137 0.000 2.515 204 N HA 0.306 5.173 4.740 0.211 0.000 0.191 204 N C 1.594 177.264 175.510 0.267 0.000 1.182 204 N CA 0.950 54.080 53.050 0.134 0.000 0.879 204 N CB 0.088 38.625 38.487 0.083 0.000 0.984 204 N HN 2.227 nan 8.380 nan 0.000 0.453 205 G N -0.008 108.961 108.800 0.280 0.000 2.159 205 G HA2 -0.335 3.751 3.960 0.211 0.000 0.256 205 G HA3 -0.335 3.751 3.960 0.211 0.000 0.256 205 G C 0.850 175.826 174.900 0.128 0.000 0.977 205 G CA 0.636 45.880 45.100 0.240 0.000 0.652 205 G HN 0.377 nan 8.290 nan 0.000 0.531 206 T N 0.787 115.408 114.554 0.111 0.000 2.665 206 T HA -0.158 4.319 4.350 0.211 0.000 0.268 206 T C 2.556 177.284 174.700 0.047 0.000 1.035 206 T CA 2.451 64.592 62.100 0.069 0.000 1.151 206 T CB -0.412 68.491 68.868 0.057 0.000 0.862 206 T HN 0.521 nan 8.240 nan 0.000 0.438 207 T N 0.920 115.505 114.554 0.052 0.000 2.777 207 T HA -0.007 4.470 4.350 0.211 0.000 0.266 207 T C 2.253 176.959 174.700 0.010 0.000 1.040 207 T CA 1.219 63.340 62.100 0.036 0.000 1.141 207 T CB -0.833 68.061 68.868 0.043 0.000 0.868 207 T HN 0.516 nan 8.240 nan 0.000 0.444 208 G N 1.772 110.578 108.800 0.010 0.000 2.442 208 G HA2 -0.220 3.867 3.960 0.211 0.000 0.219 208 G HA3 -0.220 3.867 3.960 0.211 0.000 0.219 208 G C 1.602 176.481 174.900 -0.035 0.000 1.141 208 G CA 0.716 45.803 45.100 -0.023 0.000 0.763 208 G HN 0.442 nan 8.290 nan 0.000 0.554 209 K N -0.094 120.295 120.400 -0.019 0.000 2.057 209 K HA 0.070 4.516 4.320 0.211 0.000 0.206 209 K C 2.430 179.008 176.600 -0.036 0.000 1.050 209 K CA 0.875 57.149 56.287 -0.022 0.000 0.935 209 K CB -0.238 32.263 32.500 0.003 0.000 0.715 209 K HN 0.312 nan 8.250 nan 0.000 0.439 210 I N 1.242 121.793 120.570 -0.032 0.000 2.163 210 I HA -0.313 3.984 4.170 0.211 0.000 0.243 210 I C 2.300 178.360 176.117 -0.095 0.000 1.085 210 I CA 1.377 62.645 61.300 -0.055 0.000 1.347 210 I CB -0.325 37.660 38.000 -0.024 0.000 1.044 210 I HN 0.135 nan 8.210 nan 0.000 0.408 211 I N 0.054 120.576 120.570 -0.080 0.000 2.163 211 I HA -0.352 3.945 4.170 0.211 0.000 0.243 211 I C 2.681 178.782 176.117 -0.027 0.000 1.085 211 I CA 1.358 62.608 61.300 -0.083 0.000 1.347 211 I CB -0.468 37.463 38.000 -0.114 0.000 1.044 211 I HN 0.374 nan 8.210 nan 0.000 0.408 212 C N 0.644 119.925 119.300 -0.033 0.000 2.425 212 C HA -0.122 4.465 4.460 0.211 0.000 0.277 212 C C 2.646 177.606 174.990 -0.050 0.000 1.280 212 C CA 0.746 59.754 59.018 -0.017 0.000 1.744 212 C CB -1.061 26.664 27.740 -0.026 0.000 1.989 212 C HN 0.494 nan 8.230 nan 0.000 0.491 213 E N 0.172 120.321 120.200 -0.085 0.000 2.152 213 E HA -0.139 4.338 4.350 0.211 0.000 0.192 213 E C 2.065 178.554 176.600 -0.186 0.000 0.983 213 E CA 1.539 57.876 56.400 -0.105 0.000 0.818 213 E CB -0.253 29.393 29.700 -0.091 0.000 0.758 213 E HN 0.638 nan 8.360 nan 0.000 0.467 214 T N 0.456 114.822 114.554 -0.312 0.000 2.896 214 T HA -0.041 4.435 4.350 0.211 0.000 0.263 214 T C 0.322 174.521 174.700 -0.835 0.000 1.050 214 T CA 0.825 62.545 62.100 -0.633 0.000 1.140 214 T CB -0.017 68.300 68.868 -0.918 0.000 0.877 214 T HN -0.011 nan 8.240 nan 0.000 0.457 215 F N 0.756 120.663 119.950 -0.072 0.000 2.449 215 F HA 0.399 5.050 4.527 0.207 0.000 0.344 215 F C -2.179 173.602 175.800 -0.032 0.000 1.180 215 F CA -2.976 55.000 58.000 -0.039 0.000 1.209 215 F CB 1.247 40.223 39.000 -0.040 0.000 1.440 215 F HN -0.072 nan 8.300 nan 0.000 0.526 216 P HA -0.245 nan 4.420 nan 0.000 0.218 216 P C 1.535 178.867 177.300 0.052 0.000 1.146 216 P CA 1.469 64.589 63.100 0.035 0.000 0.820 216 P CB 0.227 31.934 31.700 0.011 0.000 0.778 217 K N -1.166 119.283 120.400 0.082 0.000 2.361 217 K HA 0.039 4.486 4.320 0.211 0.000 0.196 217 K C 0.622 177.259 176.600 0.060 0.000 1.039 217 K CA 0.283 56.608 56.287 0.063 0.000 1.001 217 K CB -0.828 31.710 32.500 0.065 0.000 0.795 217 K HN 0.154 nan 8.250 nan 0.000 0.495 218 L N 3.460 124.735 121.223 0.086 0.000 2.331 218 L HA 0.187 4.653 4.340 0.211 0.000 0.278 218 L C -0.406 176.487 176.870 0.039 0.000 1.106 218 L CA 0.170 55.050 54.840 0.066 0.000 0.824 218 L CB 1.222 43.338 42.059 0.096 0.000 1.142 218 L HN 0.319 nan 8.230 nan 0.000 0.443 219 T N 2.151 116.718 114.554 0.021 0.000 2.845 219 T HA 0.495 4.972 4.350 0.211 0.000 0.288 219 T C -0.212 174.486 174.700 -0.003 0.000 0.980 219 T CA -0.708 61.394 62.100 0.003 0.000 1.071 219 T CB 0.944 69.811 68.868 -0.001 0.000 0.941 219 T HN 0.782 nan 8.240 nan 0.000 0.487 220 C N 3.600 122.886 119.300 -0.022 0.000 2.498 220 C HA 0.741 5.328 4.460 0.211 0.000 0.316 220 C C -0.586 174.370 174.990 -0.058 0.000 1.209 220 C CA -0.406 58.594 59.018 -0.031 0.000 1.518 220 C CB 0.546 28.265 27.740 -0.036 0.000 2.147 220 C HN 0.900 nan 8.230 nan 0.000 0.483 221 V N 6.721 126.616 119.914 -0.032 0.000 2.357 221 V HA 0.349 4.596 4.120 0.211 0.000 0.284 221 V C -0.034 176.070 176.094 0.017 0.000 1.018 221 V CA -0.350 61.938 62.300 -0.021 0.000 0.841 221 V CB 1.598 33.430 31.823 0.015 0.000 0.991 221 V HN 0.744 nan 8.190 nan 0.000 0.437 222 V N 6.526 126.418 119.914 -0.035 0.000 2.389 222 V HA 0.300 4.547 4.120 0.211 0.000 0.264 222 V C -0.325 175.912 176.094 0.237 0.000 1.049 222 V CA -0.121 62.219 62.300 0.068 0.000 0.932 222 V CB 0.668 32.485 31.823 -0.010 0.000 1.011 222 V HN 0.698 nan 8.190 nan 0.000 0.475 223 F N 5.421 125.417 119.950 0.077 0.000 2.426 223 F HA 0.656 5.312 4.527 0.215 0.000 0.348 223 F C -0.085 175.775 175.800 0.101 0.000 1.124 223 F CA 0.048 58.099 58.000 0.085 0.000 1.008 223 F CB 0.929 39.958 39.000 0.047 0.000 1.139 223 F HN 0.547 nan 8.300 nan 0.000 0.452 224 D N 3.430 123.537 120.400 -0.489 0.000 2.838 224 D HA 0.274 5.041 4.640 0.211 0.000 0.334 224 D C -0.887 175.165 176.300 -0.414 0.000 1.315 224 D CA -0.548 53.225 54.000 -0.378 0.000 0.917 224 D CB 1.722 42.480 40.800 -0.070 0.000 1.435 224 D HN 0.333 nan 8.370 nan 0.000 0.517 225 R N 0.719 121.105 120.500 -0.191 0.000 2.643 225 R HA 0.199 4.665 4.340 0.211 0.000 0.270 225 R C -1.620 174.628 176.300 -0.086 0.000 1.061 225 R CA -1.043 54.986 56.100 -0.119 0.000 1.107 225 R CB -0.160 30.122 30.300 -0.030 0.000 0.999 225 R HN 0.272 nan 8.270 nan 0.000 0.460 226 P HA -0.195 nan 4.420 nan 0.000 0.215 226 P C 0.694 177.978 177.300 -0.026 0.000 1.163 226 P CA 1.700 64.783 63.100 -0.030 0.000 0.894 226 P CB 0.190 31.884 31.700 -0.010 0.000 0.791 227 K N -0.867 119.521 120.400 -0.022 0.000 2.280 227 K HA -0.059 4.388 4.320 0.211 0.000 0.202 227 K C 1.834 178.425 176.600 -0.015 0.000 1.047 227 K CA 0.920 57.196 56.287 -0.018 0.000 0.942 227 K CB -0.524 31.966 32.500 -0.017 0.000 0.739 227 K HN 0.068 nan 8.250 nan 0.000 0.457 228 V N 0.867 120.772 119.914 -0.015 0.000 2.488 228 V HA -0.136 4.111 4.120 0.211 0.000 0.246 228 V C 1.889 177.960 176.094 -0.037 0.000 1.046 228 V CA 1.513 63.813 62.300 -0.000 0.000 1.053 228 V CB 0.127 31.962 31.823 0.019 0.000 0.679 228 V HN 0.215 nan 8.190 nan 0.000 0.458 229 V N -2.113 117.764 119.914 -0.061 0.000 3.444 229 V HA 0.229 4.476 4.120 0.211 0.000 0.308 229 V C 1.822 177.828 176.094 -0.147 0.000 1.371 229 V CA 0.705 62.920 62.300 -0.142 0.000 1.141 229 V CB 0.074 31.869 31.823 -0.046 0.000 1.037 229 V HN 0.467 nan 8.190 nan 0.000 0.433 230 E N 3.523 123.673 120.200 -0.084 0.000 2.110 230 E HA -0.309 4.168 4.350 0.211 0.000 0.225 230 E C 1.062 177.622 176.600 -0.065 0.000 1.063 230 E CA 2.825 59.191 56.400 -0.056 0.000 0.906 230 E CB -0.297 29.381 29.700 -0.036 0.000 0.795 230 E HN 0.752 nan 8.360 nan 0.000 0.479 231 N N -0.739 117.911 118.700 -0.084 0.000 2.541 231 N HA 0.262 5.129 4.740 0.211 0.000 0.297 231 N C -1.332 174.107 175.510 -0.118 0.000 1.503 231 N CA -0.115 52.892 53.050 -0.071 0.000 0.919 231 N CB 0.556 39.019 38.487 -0.040 0.000 1.305 231 N HN 0.067 nan 8.380 nan 0.000 0.501 232 L N 0.161 121.242 121.223 -0.237 0.000 2.312 232 L HA 0.463 4.929 4.340 0.211 0.000 0.281 232 L C -0.238 176.517 176.870 -0.191 0.000 1.070 232 L CA -0.725 53.880 54.840 -0.391 0.000 0.805 232 L CB 1.184 42.617 42.059 -1.043 0.000 1.174 232 L HN 0.129 nan 8.230 nan 0.000 0.434 233 C N 2.644 121.950 119.300 0.011 0.000 2.295 233 C HA 0.591 5.177 4.460 0.211 0.000 0.331 233 C C 0.986 176.189 174.990 0.356 0.000 1.280 233 C CA -0.753 58.363 59.018 0.163 0.000 1.746 233 C CB 0.517 28.313 27.740 0.094 0.000 2.328 233 C HN 0.922 nan 8.230 nan 0.000 0.521 234 G N 2.071 111.079 108.800 0.347 0.000 2.507 234 G HA2 0.552 4.639 3.960 0.211 0.000 0.271 234 G HA3 0.552 4.639 3.960 0.211 0.000 0.271 234 G C -0.539 174.408 174.900 0.078 0.000 1.189 234 G CA -0.038 45.156 45.100 0.157 0.000 0.859 234 G HN 0.892 nan 8.290 nan 0.000 0.542 235 S N 0.062 115.776 115.700 0.024 0.000 2.536 235 S HA 0.363 4.959 4.470 0.211 0.000 0.271 235 S C -0.097 174.505 174.600 0.003 0.000 1.134 235 S CA -0.450 57.765 58.200 0.025 0.000 0.897 235 S CB 0.966 64.188 63.200 0.036 0.000 1.094 235 S HN 1.169 nan 8.310 nan 0.000 0.473 236 N N 3.327 122.030 118.700 0.005 0.000 2.629 236 N HA -0.216 4.650 4.740 0.211 0.000 0.278 236 N C -0.290 175.215 175.510 -0.009 0.000 1.102 236 N CA 0.990 54.040 53.050 -0.000 0.000 0.759 236 N CB -0.884 37.602 38.487 -0.000 0.000 0.911 236 N HN 0.844 nan 8.380 nan 0.000 0.553 237 N N -1.269 117.423 118.700 -0.012 0.000 2.984 237 N HA -0.198 4.668 4.740 0.211 0.000 0.227 237 N C -0.599 174.886 175.510 -0.042 0.000 0.903 237 N CA 1.303 54.342 53.050 -0.018 0.000 0.995 237 N CB -0.824 37.658 38.487 -0.009 0.000 1.065 237 N HN 0.633 nan 8.380 nan 0.000 0.585 238 L N 0.997 122.182 121.223 -0.064 0.000 2.409 238 L HA 0.678 5.144 4.340 0.211 0.000 0.272 238 L C -0.172 176.590 176.870 -0.179 0.000 0.980 238 L CA -0.162 54.599 54.840 -0.132 0.000 0.826 238 L CB 1.819 43.785 42.059 -0.156 0.000 1.268 238 L HN 0.215 nan 8.230 nan 0.000 0.407 239 T N -0.284 114.133 114.554 -0.227 0.000 2.865 239 T HA 0.598 5.074 4.350 0.211 0.000 0.294 239 T C -1.138 173.376 174.700 -0.310 0.000 1.119 239 T CA -0.648 61.339 62.100 -0.189 0.000 1.007 239 T CB 1.439 70.287 68.868 -0.033 0.000 1.225 239 T HN 0.346 nan 8.240 nan 0.000 0.515 240 Y N -0.493 119.844 120.300 0.060 0.000 2.429 240 Y HA 0.700 5.372 4.550 0.204 0.000 0.342 240 Y C -0.339 175.615 175.900 0.090 0.000 1.004 240 Y CA -0.975 57.168 58.100 0.072 0.000 1.075 240 Y CB 2.283 40.774 38.460 0.052 0.000 1.214 240 Y HN 0.582 nan 8.280 nan 0.000 0.455 241 V N 2.042 122.130 119.914 0.289 0.000 2.686 241 V HA 0.690 4.937 4.120 0.211 0.000 0.306 241 V C -0.010 176.216 176.094 0.220 0.000 1.065 241 V CA -0.958 61.502 62.300 0.267 0.000 0.894 241 V CB 2.013 34.031 31.823 0.325 0.000 1.004 241 V HN 0.938 nan 8.190 nan 0.000 0.424 242 G N 1.785 110.664 108.800 0.131 0.000 2.367 242 G HA2 0.791 4.877 3.960 0.211 0.000 0.314 242 G HA3 0.791 4.877 3.960 0.211 0.000 0.314 242 G C -0.018 174.895 174.900 0.023 0.000 1.130 242 G CA 0.177 45.274 45.100 -0.005 0.000 0.864 242 G HN 1.292 nan 8.290 nan 0.000 0.486 243 G N 0.027 108.715 108.800 -0.186 0.000 2.341 243 G HA2 0.422 4.508 3.960 0.211 0.000 0.299 243 G HA3 0.422 4.508 3.960 0.211 0.000 0.299 243 G C -2.116 172.746 174.900 -0.063 0.000 1.274 243 G CA -0.513 44.603 45.100 0.026 0.000 0.853 243 G HN 0.627 nan 8.290 nan 0.000 0.493 244 D N 0.627 121.154 120.400 0.211 0.000 2.505 244 D HA 0.307 5.073 4.640 0.211 0.000 0.250 244 D C 1.778 178.287 176.300 0.349 0.000 1.164 244 D CA -0.613 53.517 54.000 0.216 0.000 0.870 244 D CB 1.428 42.346 40.800 0.196 0.000 1.160 244 D HN 0.534 nan 8.370 nan 0.000 0.549 245 M N 1.445 121.239 119.600 0.324 0.000 2.346 245 M HA -0.069 4.538 4.480 0.211 0.000 0.263 245 M C 0.448 176.703 176.300 -0.075 0.000 1.064 245 M CA 1.337 56.759 55.300 0.203 0.000 1.083 245 M CB -0.384 32.236 32.600 0.035 0.000 1.399 245 M HN 0.113 nan 8.290 nan 0.000 0.435 246 F N 0.883 120.842 119.950 0.016 0.000 2.558 246 F HA 0.184 4.834 4.527 0.205 0.000 0.298 246 F C 1.947 177.749 175.800 0.003 0.000 1.119 246 F CA 0.787 58.767 58.000 -0.033 0.000 1.451 246 F CB -0.221 38.737 39.000 -0.070 0.000 1.091 246 F HN 0.117 nan 8.300 nan 0.000 0.563 247 I N -2.388 118.301 120.570 0.197 0.000 2.729 247 I HA 0.039 4.335 4.170 0.211 0.000 0.256 247 I C 0.651 176.814 176.117 0.076 0.000 1.115 247 I CA 0.496 61.873 61.300 0.129 0.000 1.446 247 I CB 0.255 38.333 38.000 0.130 0.000 1.176 247 I HN -0.051 nan 8.210 nan 0.000 0.446 248 S N -0.413 115.334 115.700 0.078 0.000 2.556 248 S HA 0.498 5.095 4.470 0.211 0.000 0.280 248 S C -1.358 173.179 174.600 -0.105 0.000 1.141 248 S CA -0.573 57.624 58.200 -0.004 0.000 0.883 248 S CB 1.555 64.758 63.200 0.004 0.000 1.103 248 S HN -0.142 nan 8.310 nan 0.000 0.453 249 V N 4.515 124.286 119.914 -0.238 0.000 2.540 249 V HA 0.549 4.796 4.120 0.211 0.000 0.302 249 V C -2.284 173.545 176.094 -0.441 0.000 1.035 249 V CA -1.925 60.063 62.300 -0.520 0.000 0.873 249 V CB 1.672 33.286 31.823 -0.349 0.000 0.992 249 V HN 0.802 nan 8.190 nan 0.000 0.428 250 P HA 0.097 nan 4.420 nan 0.000 0.265 250 P C -0.473 176.705 177.300 -0.203 0.000 1.187 250 P CA 0.022 62.937 63.100 -0.310 0.000 0.766 250 P CB 0.358 31.886 31.700 -0.287 0.000 0.820 251 K N 1.877 122.200 120.400 -0.128 0.000 2.295 251 K HA 0.607 5.053 4.320 0.211 0.000 0.270 251 K C 0.043 176.598 176.600 -0.074 0.000 1.011 251 K CA -0.075 56.157 56.287 -0.092 0.000 0.953 251 K CB 0.530 32.990 32.500 -0.066 0.000 0.956 251 K HN 0.543 nan 8.250 nan 0.000 0.477 252 A N 1.408 124.190 122.820 -0.063 0.000 2.515 252 A HA 0.172 4.618 4.320 0.211 0.000 0.292 252 A C -0.583 176.976 177.584 -0.042 0.000 1.065 252 A CA -0.779 51.230 52.037 -0.047 0.000 0.641 252 A CB 0.578 19.549 19.000 -0.047 0.000 1.306 252 A HN 0.662 nan 8.150 nan 0.000 0.441 253 D N 0.086 120.465 120.400 -0.034 0.000 2.178 253 D HA 0.294 5.060 4.640 0.211 0.000 0.202 253 D C 0.870 177.142 176.300 -0.048 0.000 0.974 253 D CA 2.184 56.163 54.000 -0.035 0.000 0.841 253 D CB 0.124 40.906 40.800 -0.030 0.000 0.953 253 D HN 0.968 nan 8.370 nan 0.000 0.478 254 A N -0.325 122.465 122.820 -0.049 0.000 2.587 254 A HA 0.585 5.031 4.320 0.211 0.000 0.293 254 A C -1.200 176.351 177.584 -0.055 0.000 1.087 254 A CA -0.554 51.441 52.037 -0.069 0.000 0.692 254 A CB 1.963 20.907 19.000 -0.093 0.000 1.291 254 A HN -0.096 nan 8.150 nan 0.000 0.407 255 V N 1.155 121.026 119.914 -0.072 0.000 2.680 255 V HA 0.635 4.881 4.120 0.211 0.000 0.309 255 V C -1.091 174.966 176.094 -0.061 0.000 1.052 255 V CA -0.532 61.734 62.300 -0.057 0.000 0.908 255 V CB 1.639 33.424 31.823 -0.063 0.000 1.001 255 V HN 0.885 nan 8.190 nan 0.000 0.431 256 L N 5.959 127.169 121.223 -0.022 0.000 2.341 256 L HA 0.676 5.142 4.340 0.211 0.000 0.278 256 L C -1.106 175.753 176.870 -0.019 0.000 1.005 256 L CA -0.035 54.791 54.840 -0.023 0.000 0.818 256 L CB 1.529 43.610 42.059 0.038 0.000 1.259 256 L HN 0.572 nan 8.230 nan 0.000 0.418 257 L N 5.744 126.934 121.223 -0.056 0.000 2.401 257 L HA 0.487 4.954 4.340 0.211 0.000 0.263 257 L C -0.483 176.351 176.870 -0.059 0.000 1.004 257 L CA -0.398 54.426 54.840 -0.028 0.000 0.881 257 L CB 1.089 43.132 42.059 -0.028 0.000 1.219 257 L HN 0.588 nan 8.230 nan 0.000 0.441 258 K N 3.374 123.750 120.400 -0.040 0.000 2.293 258 K HA 0.605 5.052 4.320 0.211 0.000 0.267 258 K C 0.656 177.215 176.600 -0.069 0.000 1.010 258 K CA 0.057 56.294 56.287 -0.082 0.000 0.875 258 K CB 1.321 33.774 32.500 -0.078 0.000 1.106 258 K HN 0.616 nan 8.250 nan 0.000 0.450 259 A N 2.846 125.565 122.820 -0.168 0.000 2.822 259 A HA -0.144 4.302 4.320 0.211 0.000 0.287 259 A C 0.318 177.759 177.584 -0.239 0.000 1.479 259 A CA 1.123 52.927 52.037 -0.389 0.000 0.779 259 A CB -2.067 16.852 19.000 -0.135 0.000 1.022 259 A HN 0.497 nan 8.150 nan 0.000 0.532 260 V N -0.844 119.046 119.914 -0.040 0.000 2.721 260 V HA 0.012 4.259 4.120 0.211 0.000 0.236 260 V C 2.287 178.640 176.094 0.431 0.000 1.116 260 V CA 1.267 63.705 62.300 0.230 0.000 1.148 260 V CB -0.392 31.561 31.823 0.216 0.000 0.886 260 V HN 0.601 nan 8.190 nan 0.000 0.490 261 L N 1.346 122.782 121.223 0.356 0.000 2.261 261 L HA -0.204 4.262 4.340 0.211 0.000 0.216 261 L C 2.446 179.613 176.870 0.495 0.000 1.114 261 L CA 2.038 57.164 54.840 0.478 0.000 0.777 261 L CB -0.921 41.421 42.059 0.472 0.000 0.910 261 L HN 0.704 nan 8.230 nan 0.000 0.440 262 H N -2.328 116.924 119.070 0.304 0.000 2.559 262 H HA -0.045 4.616 4.556 0.176 0.000 0.273 262 H C 0.753 176.145 175.328 0.107 0.000 1.000 262 H CA 0.384 56.542 56.048 0.184 0.000 1.195 262 H CB -0.043 29.827 29.762 0.180 0.000 1.368 262 H HN 0.339 nan 8.280 nan 0.000 0.592 263 D N -0.021 120.607 120.400 0.379 0.000 2.339 263 D HA 0.028 4.795 4.640 0.211 0.000 0.217 263 D C -0.483 175.625 176.300 -0.320 0.000 1.050 263 D CA 0.233 54.185 54.000 -0.080 0.000 0.856 263 D CB 0.177 40.855 40.800 -0.202 0.000 0.922 263 D HN 0.422 nan 8.370 nan 0.000 0.518 264 W N 1.010 122.406 121.300 0.160 0.000 2.799 264 W HA 0.274 5.061 4.660 0.212 0.000 0.349 264 W C 0.728 177.295 176.519 0.081 0.000 1.100 264 W CA -0.950 56.477 57.345 0.137 0.000 1.174 264 W CB 0.380 29.956 29.460 0.194 0.000 1.427 264 W HN -0.347 nan 8.180 nan 0.000 0.547 265 T N -1.979 112.774 114.554 0.332 0.000 2.766 265 T HA 0.037 4.513 4.350 0.211 0.000 0.295 265 T C 0.726 175.521 174.700 0.158 0.000 1.024 265 T CA 0.002 62.207 62.100 0.175 0.000 1.018 265 T CB 0.765 69.718 68.868 0.141 0.000 1.002 265 T HN 0.407 nan 8.240 nan 0.000 0.532 266 D N 0.498 120.938 120.400 0.067 0.000 2.123 266 D HA -0.091 4.676 4.640 0.211 0.000 0.196 266 D C 2.046 178.390 176.300 0.074 0.000 0.992 266 D CA 1.457 55.477 54.000 0.034 0.000 0.833 266 D CB -0.174 40.617 40.800 -0.015 0.000 0.954 266 D HN 0.651 nan 8.370 nan 0.000 0.455 267 K N 0.374 120.826 120.400 0.086 0.000 2.032 267 K HA -0.142 4.305 4.320 0.211 0.000 0.209 267 K C 1.614 178.295 176.600 0.134 0.000 1.048 267 K CA 1.265 57.608 56.287 0.095 0.000 0.927 267 K CB -0.038 32.513 32.500 0.085 0.000 0.712 267 K HN 0.138 nan 8.250 nan 0.000 0.441 268 D N 0.510 121.027 120.400 0.195 0.000 2.149 268 D HA -0.099 4.667 4.640 0.211 0.000 0.201 268 D C 2.053 178.420 176.300 0.111 0.000 0.972 268 D CA 0.818 54.971 54.000 0.255 0.000 0.835 268 D CB -0.431 40.614 40.800 0.409 0.000 0.966 268 D HN 0.198 nan 8.370 nan 0.000 0.476 269 C N 0.784 120.160 119.300 0.126 0.000 2.413 269 C HA -0.091 4.496 4.460 0.211 0.000 0.276 269 C C 2.871 177.904 174.990 0.071 0.000 1.248 269 C CA 0.080 59.146 59.018 0.081 0.000 1.742 269 C CB -0.975 26.852 27.740 0.145 0.000 2.017 269 C HN 0.338 nan 8.230 nan 0.000 0.481 270 I N 0.790 121.417 120.570 0.095 0.000 2.208 270 I HA -0.255 4.042 4.170 0.211 0.000 0.245 270 I C 2.530 178.696 176.117 0.081 0.000 1.097 270 I CA 1.648 63.015 61.300 0.112 0.000 1.363 270 I CB -0.491 37.569 38.000 0.099 0.000 1.051 270 I HN 0.409 nan 8.210 nan 0.000 0.413 271 K N 0.832 121.266 120.400 0.058 0.000 2.026 271 K HA -0.139 4.308 4.320 0.211 0.000 0.208 271 K C 2.092 178.640 176.600 -0.088 0.000 1.048 271 K CA 1.452 57.761 56.287 0.036 0.000 0.929 271 K CB -0.216 32.373 32.500 0.148 0.000 0.713 271 K HN 0.279 nan 8.250 nan 0.000 0.439 272 I N 1.263 121.687 120.570 -0.242 0.000 2.127 272 I HA -0.314 3.983 4.170 0.211 0.000 0.241 272 I C 2.272 178.316 176.117 -0.122 0.000 1.075 272 I CA 1.343 62.417 61.300 -0.376 0.000 1.334 272 I CB -0.365 37.345 38.000 -0.483 0.000 1.040 272 I HN 0.124 nan 8.210 nan 0.000 0.405 273 L N 0.442 121.675 121.223 0.016 0.000 2.079 273 L HA -0.233 4.234 4.340 0.211 0.000 0.210 273 L C 2.575 179.572 176.870 0.212 0.000 1.081 273 L CA 1.507 56.460 54.840 0.187 0.000 0.752 273 L CB -0.533 41.723 42.059 0.329 0.000 0.896 273 L HN 0.201 nan 8.230 nan 0.000 0.433 274 K N -0.364 120.092 120.400 0.093 0.000 2.057 274 K HA -0.147 4.300 4.320 0.211 0.000 0.207 274 K C 2.176 178.753 176.600 -0.038 0.000 1.049 274 K CA 0.947 57.235 56.287 0.002 0.000 0.931 274 K CB -0.008 32.491 32.500 -0.002 0.000 0.714 274 K HN 0.101 nan 8.250 nan 0.000 0.440 275 K N 0.606 120.979 120.400 -0.045 0.000 2.097 275 K HA -0.085 4.361 4.320 0.211 0.000 0.205 275 K C 2.205 178.763 176.600 -0.069 0.000 1.050 275 K CA 1.017 57.264 56.287 -0.067 0.000 0.938 275 K CB -0.599 31.844 32.500 -0.095 0.000 0.718 275 K HN 0.204 nan 8.250 nan 0.000 0.442 276 C N 1.006 120.284 119.300 -0.037 0.000 2.446 276 C HA -0.039 4.548 4.460 0.211 0.000 0.277 276 C C 2.748 177.744 174.990 0.009 0.000 1.275 276 C CA 0.492 59.500 59.018 -0.018 0.000 1.727 276 C CB -0.470 27.281 27.740 0.019 0.000 2.010 276 C HN 0.518 nan 8.230 nan 0.000 0.486 277 K N 1.142 121.561 120.400 0.032 0.000 2.063 277 K HA -0.223 4.223 4.320 0.211 0.000 0.208 277 K C 2.112 178.640 176.600 -0.120 0.000 1.048 277 K CA 1.672 57.893 56.287 -0.109 0.000 0.928 277 K CB -0.265 31.930 32.500 -0.508 0.000 0.713 277 K HN 0.580 nan 8.250 nan 0.000 0.442 278 E N -0.119 120.017 120.200 -0.107 0.000 2.085 278 E HA -0.214 4.263 4.350 0.211 0.000 0.194 278 E C 1.729 178.281 176.600 -0.081 0.000 0.994 278 E CA 1.139 57.484 56.400 -0.092 0.000 0.801 278 E CB -0.157 29.496 29.700 -0.078 0.000 0.743 278 E HN 0.436 nan 8.360 nan 0.000 0.453 279 A N 0.646 123.416 122.820 -0.084 0.000 2.019 279 A HA -0.128 4.319 4.320 0.211 0.000 0.219 279 A C 2.152 179.692 177.584 -0.074 0.000 1.164 279 A CA 1.605 53.587 52.037 -0.092 0.000 0.644 279 A CB -0.361 18.566 19.000 -0.122 0.000 0.805 279 A HN 0.335 nan 8.150 nan 0.000 0.449 280 V N -3.416 116.462 119.914 -0.060 0.000 3.483 280 V HA 0.205 4.452 4.120 0.211 0.000 0.301 280 V C 0.965 177.033 176.094 -0.043 0.000 1.389 280 V CA 1.091 63.363 62.300 -0.047 0.000 1.101 280 V CB -0.634 31.169 31.823 -0.034 0.000 0.971 280 V HN 0.550 nan 8.190 nan 0.000 0.434 281 T N -1.683 112.838 114.554 -0.055 0.000 3.296 281 T HA 0.400 4.877 4.350 0.211 0.000 0.285 281 T C 0.503 175.174 174.700 -0.048 0.000 1.014 281 T CA 0.413 62.482 62.100 -0.053 0.000 0.920 281 T CB -0.219 68.605 68.868 -0.073 0.000 1.143 281 T HN 0.679 nan 8.240 nan 0.000 0.522 282 S N 0.429 116.102 115.700 -0.045 0.000 2.722 282 S HA 0.553 5.149 4.470 0.211 0.000 0.292 282 S C -0.235 174.346 174.600 -0.032 0.000 1.135 282 S CA -0.448 57.728 58.200 -0.040 0.000 1.003 282 S CB 0.801 63.976 63.200 -0.043 0.000 1.067 282 S HN 0.178 nan 8.310 nan 0.000 0.546 283 D N -0.111 120.272 120.400 -0.028 0.000 2.911 283 D HA -0.127 4.639 4.640 0.211 0.000 0.227 283 D C 0.963 177.250 176.300 -0.021 0.000 1.164 283 D CA 1.850 55.837 54.000 -0.022 0.000 0.782 283 D CB -1.712 39.075 40.800 -0.022 0.000 1.094 283 D HN 1.591 nan 8.370 nan 0.000 0.425 284 G N -0.629 108.157 108.800 -0.023 0.000 2.153 284 G HA2 -0.384 3.702 3.960 0.211 0.000 0.252 284 G HA3 -0.384 3.702 3.960 0.211 0.000 0.252 284 G C 0.279 175.167 174.900 -0.020 0.000 0.994 284 G CA 0.914 46.002 45.100 -0.021 0.000 0.698 284 G HN 0.509 nan 8.290 nan 0.000 0.521 285 K N -0.325 120.062 120.400 -0.023 0.000 2.095 285 K HA 0.659 5.105 4.320 0.211 0.000 0.252 285 K C 0.603 177.191 176.600 -0.021 0.000 0.977 285 K CA -0.752 55.523 56.287 -0.021 0.000 0.900 285 K CB 0.906 33.392 32.500 -0.022 0.000 1.060 285 K HN 0.415 nan 8.250 nan 0.000 0.449 286 R N 0.226 120.719 120.500 -0.013 0.000 2.629 286 R HA 0.318 4.784 4.340 0.211 0.000 0.275 286 R C -0.112 176.194 176.300 0.009 0.000 1.719 286 R CA -0.735 55.363 56.100 -0.004 0.000 1.472 286 R CB 0.950 31.251 30.300 0.002 0.000 1.237 286 R HN 0.696 nan 8.270 nan 0.000 0.589 287 G N 1.995 110.794 108.800 -0.002 0.000 2.666 287 G HA2 0.387 4.473 3.960 0.211 0.000 0.207 287 G HA3 0.387 4.473 3.960 0.211 0.000 0.207 287 G C -0.710 174.190 174.900 -0.000 0.000 1.481 287 G CA -0.618 44.478 45.100 -0.008 0.000 1.071 287 G HN 0.529 nan 8.290 nan 0.000 0.572 288 K N -2.452 117.912 120.400 -0.060 0.000 2.555 288 K HA 0.635 5.082 4.320 0.211 0.000 0.279 288 K C -1.942 174.554 176.600 -0.174 0.000 0.986 288 K CA -0.863 55.339 56.287 -0.142 0.000 0.880 288 K CB 2.061 34.379 32.500 -0.304 0.000 1.474 288 K HN 0.252 nan 8.250 nan 0.000 0.433 289 V N 2.331 122.096 119.914 -0.248 0.000 2.459 289 V HA 0.431 4.678 4.120 0.211 0.000 0.295 289 V C -0.400 175.458 176.094 -0.392 0.000 1.029 289 V CA -0.761 61.383 62.300 -0.261 0.000 0.874 289 V CB 1.250 32.927 31.823 -0.242 0.000 0.985 289 V HN 0.607 nan 8.190 nan 0.000 0.438 290 I N 4.862 125.248 120.570 -0.308 0.000 2.354 290 I HA 0.494 4.790 4.170 0.211 0.000 0.292 290 I C -0.609 175.337 176.117 -0.285 0.000 0.989 290 I CA -0.690 60.412 61.300 -0.330 0.000 1.188 290 I CB 1.915 39.740 38.000 -0.290 0.000 1.342 290 I HN 0.252 nan 8.210 nan 0.000 0.457 291 V N 7.642 127.353 119.914 -0.339 0.000 2.448 291 V HA 0.451 4.697 4.120 0.211 0.000 0.295 291 V C -0.094 175.801 176.094 -0.331 0.000 1.025 291 V CA -0.433 61.676 62.300 -0.317 0.000 0.859 291 V CB 2.038 33.618 31.823 -0.405 0.000 0.988 291 V HN 0.483 nan 8.190 nan 0.000 0.431 292 I N 4.910 125.311 120.570 -0.282 0.000 2.390 292 I HA 0.582 4.878 4.170 0.211 0.000 0.283 292 I C -0.641 175.353 176.117 -0.205 0.000 1.016 292 I CA 0.078 61.193 61.300 -0.307 0.000 1.151 292 I CB 1.225 38.954 38.000 -0.451 0.000 1.293 292 I HN 0.573 nan 8.210 nan 0.000 0.458 293 D N 4.592 124.901 120.400 -0.151 0.000 2.713 293 D HA 0.296 5.063 4.640 0.211 0.000 0.306 293 D C -0.977 175.374 176.300 0.085 0.000 1.299 293 D CA -0.628 53.369 54.000 -0.005 0.000 0.823 293 D CB 2.152 43.017 40.800 0.109 0.000 1.353 293 D HN 0.303 nan 8.370 nan 0.000 0.447 294 M N 1.218 120.951 119.600 0.221 0.000 2.238 294 M HA 0.343 4.949 4.480 0.211 0.000 0.347 294 M C -1.155 175.355 176.300 0.350 0.000 1.173 294 M CA 0.034 55.477 55.300 0.238 0.000 1.147 294 M CB 0.625 33.365 32.600 0.234 0.000 1.547 294 M HN 0.057 nan 8.290 nan 0.000 0.455 295 V N 7.120 127.188 119.914 0.257 0.000 2.409 295 V HA 0.393 4.640 4.120 0.211 0.000 0.290 295 V C -0.180 176.043 176.094 0.215 0.000 1.017 295 V CA -0.628 61.859 62.300 0.312 0.000 0.841 295 V CB 1.273 33.197 31.823 0.169 0.000 1.003 295 V HN 0.776 nan 8.190 nan 0.000 0.426 296 I N 4.636 125.329 120.570 0.204 0.000 2.428 296 I HA 0.423 4.719 4.170 0.211 0.000 0.289 296 I C 0.226 176.411 176.117 0.114 0.000 1.019 296 I CA 0.046 61.422 61.300 0.127 0.000 1.351 296 I CB 1.025 39.078 38.000 0.088 0.000 1.412 296 I HN 0.564 nan 8.210 nan 0.000 0.513 297 N N 4.980 123.735 118.700 0.092 0.000 2.747 297 N HA 0.102 4.968 4.740 0.211 0.000 0.262 297 N C -0.027 175.522 175.510 0.064 0.000 1.261 297 N CA -0.288 52.812 53.050 0.082 0.000 0.809 297 N CB 0.989 39.533 38.487 0.094 0.000 1.450 297 N HN 0.551 nan 8.380 nan 0.000 0.560 298 E N 1.047 121.279 120.200 0.053 0.000 2.418 298 E HA -0.022 4.455 4.350 0.211 0.000 0.197 298 E C 0.787 177.413 176.600 0.042 0.000 1.026 298 E CA 0.776 57.203 56.400 0.045 0.000 0.862 298 E CB 0.541 30.263 29.700 0.037 0.000 0.799 298 E HN 0.482 nan 8.360 nan 0.000 0.518 299 K N 0.434 120.861 120.400 0.045 0.000 2.262 299 K HA 0.031 4.477 4.320 0.211 0.000 0.200 299 K C 1.702 178.328 176.600 0.043 0.000 1.049 299 K CA 0.622 56.934 56.287 0.042 0.000 0.979 299 K CB 0.299 32.825 32.500 0.043 0.000 0.773 299 K HN -0.064 nan 8.250 nan 0.000 0.474 300 K N 0.123 120.553 120.400 0.050 0.000 2.313 300 K HA 0.052 4.499 4.320 0.211 0.000 0.197 300 K C -0.038 176.589 176.600 0.045 0.000 1.061 300 K CA 0.254 56.570 56.287 0.049 0.000 0.980 300 K CB 0.421 32.957 32.500 0.060 0.000 0.888 300 K HN 0.023 nan 8.250 nan 0.000 0.502 301 D N 2.035 122.464 120.400 0.048 0.000 2.329 301 D HA 0.075 4.842 4.640 0.211 0.000 0.246 301 D C -0.092 176.229 176.300 0.035 0.000 1.111 301 D CA -0.016 54.011 54.000 0.044 0.000 0.941 301 D CB 0.740 41.570 40.800 0.051 0.000 1.169 301 D HN 0.008 nan 8.370 nan 0.000 0.441 302 E N 0.644 120.861 120.200 0.029 0.000 2.404 302 E HA 0.011 4.488 4.350 0.211 0.000 0.261 302 E C 1.040 177.655 176.600 0.025 0.000 1.074 302 E CA -0.349 56.065 56.400 0.023 0.000 0.917 302 E CB 0.625 30.334 29.700 0.015 0.000 0.965 302 E HN 0.273 nan 8.360 nan 0.000 0.433 303 N N 1.776 120.489 118.700 0.023 0.000 2.094 303 N HA -0.222 4.645 4.740 0.211 0.000 0.191 303 N C 1.520 177.045 175.510 0.026 0.000 1.023 303 N CA 1.447 54.512 53.050 0.026 0.000 0.857 303 N CB -0.030 38.472 38.487 0.024 0.000 1.013 303 N HN 0.486 nan 8.380 nan 0.000 0.426 304 Q N 0.013 119.825 119.800 0.019 0.000 2.167 304 Q HA -0.071 4.395 4.340 0.211 0.000 0.202 304 Q C 2.001 178.014 176.000 0.022 0.000 0.970 304 Q CA 0.651 56.465 55.803 0.017 0.000 0.855 304 Q CB -0.031 28.709 28.738 0.003 0.000 0.911 304 Q HN 0.207 nan 8.270 nan 0.000 0.438 305 L N -0.046 121.191 121.223 0.024 0.000 2.072 305 L HA -0.082 4.385 4.340 0.211 0.000 0.205 305 L C 2.068 178.964 176.870 0.042 0.000 1.079 305 L CA 1.870 56.729 54.840 0.032 0.000 0.752 305 L CB -0.749 41.330 42.059 0.034 0.000 0.906 305 L HN 0.032 nan 8.230 nan 0.000 0.436 306 T N -0.573 114.006 114.554 0.042 0.000 2.759 306 T HA -0.260 4.216 4.350 0.211 0.000 0.269 306 T C 1.745 176.472 174.700 0.045 0.000 1.042 306 T CA 1.717 63.844 62.100 0.046 0.000 1.140 306 T CB -0.155 68.739 68.868 0.042 0.000 0.864 306 T HN 0.491 nan 8.240 nan 0.000 0.455 307 Q N 0.016 119.839 119.800 0.040 0.000 2.061 307 Q HA -0.151 4.316 4.340 0.211 0.000 0.204 307 Q C 2.330 178.356 176.000 0.042 0.000 0.984 307 Q CA 1.549 57.376 55.803 0.040 0.000 0.846 307 Q CB -0.257 28.503 28.738 0.037 0.000 0.902 307 Q HN 0.453 nan 8.270 nan 0.000 0.421 308 I N 0.852 121.447 120.570 0.042 0.000 2.315 308 I HA -0.206 4.090 4.170 0.211 0.000 0.248 308 I C 1.752 177.901 176.117 0.055 0.000 1.117 308 I CA 1.505 62.832 61.300 0.045 0.000 1.404 308 I CB -0.115 37.911 38.000 0.044 0.000 1.071 308 I HN 0.103 nan 8.210 nan 0.000 0.419 309 K N -0.404 120.032 120.400 0.061 0.000 2.057 309 K HA -0.145 4.302 4.320 0.211 0.000 0.207 309 K C 1.974 178.614 176.600 0.067 0.000 1.049 309 K CA 1.199 57.531 56.287 0.073 0.000 0.931 309 K CB -0.309 32.240 32.500 0.081 0.000 0.714 309 K HN 0.215 nan 8.250 nan 0.000 0.440 310 L N 0.908 122.165 121.223 0.056 0.000 2.093 310 L HA -0.137 4.329 4.340 0.211 0.000 0.208 310 L C 2.149 179.050 176.870 0.051 0.000 1.085 310 L CA 1.203 56.073 54.840 0.050 0.000 0.755 310 L CB -0.775 41.310 42.059 0.044 0.000 0.904 310 L HN 0.154 nan 8.230 nan 0.000 0.435 311 L N -1.189 120.063 121.223 0.047 0.000 2.017 311 L HA -0.213 4.253 4.340 0.211 0.000 0.208 311 L C 2.400 179.298 176.870 0.047 0.000 1.073 311 L CA 1.824 56.688 54.840 0.040 0.000 0.745 311 L CB -0.587 41.490 42.059 0.030 0.000 0.894 311 L HN 0.222 nan 8.230 nan 0.000 0.432 312 M N -0.148 119.486 119.600 0.057 0.000 2.213 312 M HA -0.195 4.412 4.480 0.211 0.000 0.263 312 M C 2.003 178.347 176.300 0.074 0.000 1.062 312 M CA 1.477 56.819 55.300 0.069 0.000 1.105 312 M CB -0.629 32.022 32.600 0.086 0.000 1.385 312 M HN 0.429 nan 8.290 nan 0.000 0.417 313 N N -0.547 118.196 118.700 0.071 0.000 2.188 313 N HA -0.101 4.766 4.740 0.211 0.000 0.184 313 N C 1.384 176.936 175.510 0.071 0.000 1.018 313 N CA 1.251 54.340 53.050 0.065 0.000 0.858 313 N CB -0.079 38.439 38.487 0.053 0.000 0.989 313 N HN 0.226 nan 8.380 nan 0.000 0.426 314 V N 0.362 120.322 119.914 0.078 0.000 2.270 314 V HA -0.218 4.029 4.120 0.211 0.000 0.245 314 V C 2.494 178.656 176.094 0.114 0.000 1.043 314 V CA 2.214 64.576 62.300 0.104 0.000 1.014 314 V CB -1.211 30.672 31.823 0.099 0.000 0.645 314 V HN 0.620 nan 8.190 nan 0.000 0.447 315 T N -1.046 113.569 114.554 0.103 0.000 2.684 315 T HA -0.230 4.246 4.350 0.211 0.000 0.267 315 T C 1.950 176.706 174.700 0.095 0.000 1.036 315 T CA 1.959 64.140 62.100 0.135 0.000 1.148 315 T CB -0.576 68.352 68.868 0.100 0.000 0.863 315 T HN 0.381 nan 8.240 nan 0.000 0.436 316 I N 2.081 122.692 120.570 0.069 0.000 2.493 316 I HA -0.165 4.131 4.170 0.211 0.000 0.254 316 I C 2.680 178.808 176.117 0.019 0.000 1.160 316 I CA 1.398 62.715 61.300 0.028 0.000 1.445 316 I CB -0.282 37.712 38.000 -0.010 0.000 1.086 316 I HN 0.507 nan 8.210 nan 0.000 0.433 317 S N -0.378 115.358 115.700 0.059 0.000 2.419 317 S HA -0.211 4.386 4.470 0.211 0.000 0.233 317 S C 1.979 176.672 174.600 0.154 0.000 1.016 317 S CA 1.231 59.503 58.200 0.120 0.000 0.974 317 S CB -1.209 62.106 63.200 0.191 0.000 0.786 317 S HN 0.597 nan 8.310 nan 0.000 0.492 318 C N 1.588 120.844 119.300 -0.074 0.000 2.449 318 C HA 0.163 4.749 4.460 0.211 0.000 0.283 318 C C 1.964 176.766 174.990 -0.312 0.000 1.453 318 C CA 0.506 59.219 59.018 -0.508 0.000 1.779 318 C CB -1.326 25.912 27.740 -0.836 0.000 1.779 318 C HN 0.717 nan 8.230 nan 0.000 0.546 319 V N -2.547 117.322 119.914 -0.074 0.000 3.070 319 V HA 0.408 4.655 4.120 0.211 0.000 0.345 319 V C 0.226 176.325 176.094 0.009 0.000 1.403 319 V CA -0.066 62.237 62.300 0.004 0.000 1.155 319 V CB -1.748 30.122 31.823 0.077 0.000 1.140 319 V HN 0.578 nan 8.190 nan 0.000 0.505 320 N N 0.173 118.897 118.700 0.039 0.000 2.741 320 N HA -0.141 4.725 4.740 0.211 0.000 0.250 320 N C 0.727 176.218 175.510 -0.031 0.000 1.115 320 N CA 0.582 53.646 53.050 0.023 0.000 0.724 320 N CB -0.900 37.590 38.487 0.005 0.000 1.090 320 N HN 0.895 nan 8.380 nan 0.000 0.558 321 G N 0.291 109.064 108.800 -0.044 0.000 2.552 321 G HA2 0.656 4.743 3.960 0.211 0.000 0.318 321 G HA3 0.656 4.743 3.960 0.211 0.000 0.318 321 G C -0.704 174.172 174.900 -0.039 0.000 1.240 321 G CA -0.362 44.679 45.100 -0.098 0.000 1.002 321 G HN 0.115 nan 8.290 nan 0.000 0.493 322 K N 0.196 120.583 120.400 -0.022 0.000 2.565 322 K HA 0.269 4.716 4.320 0.211 0.000 0.251 322 K C -1.304 175.314 176.600 0.031 0.000 0.956 322 K CA -0.586 55.701 56.287 -0.000 0.000 0.809 322 K CB 1.895 34.380 32.500 -0.024 0.000 1.267 322 K HN 0.384 nan 8.250 nan 0.000 0.438 323 E N 3.018 123.237 120.200 0.031 0.000 2.242 323 E HA 0.390 4.867 4.350 0.211 0.000 0.275 323 E C -0.562 176.001 176.600 -0.062 0.000 1.002 323 E CA -0.550 55.891 56.400 0.068 0.000 0.841 323 E CB 1.686 31.454 29.700 0.115 0.000 1.109 323 E HN 0.485 nan 8.360 nan 0.000 0.394 324 R N 1.329 121.735 120.500 -0.157 0.000 2.711 324 R HA 0.363 4.830 4.340 0.211 0.000 0.284 324 R C 0.419 176.616 176.300 -0.170 0.000 0.968 324 R CA -0.716 55.140 56.100 -0.407 0.000 0.924 324 R CB 1.590 31.170 30.300 -1.200 0.000 1.162 324 R HN 0.630 nan 8.270 nan 0.000 0.465 325 N N 0.205 118.823 118.700 -0.136 0.000 2.434 325 N HA 0.010 4.877 4.740 0.211 0.000 0.266 325 N C 0.363 175.923 175.510 0.082 0.000 1.223 325 N CA -0.627 52.438 53.050 0.025 0.000 0.972 325 N CB 1.291 39.783 38.487 0.008 0.000 1.207 325 N HN 0.673 nan 8.380 nan 0.000 0.525 326 E N 0.086 120.390 120.200 0.172 0.000 2.097 326 E HA -0.309 4.167 4.350 0.211 0.000 0.196 326 E C 1.369 178.012 176.600 0.072 0.000 1.000 326 E CA 1.512 58.028 56.400 0.194 0.000 0.804 326 E CB 0.035 29.848 29.700 0.188 0.000 0.740 326 E HN 0.675 nan 8.360 nan 0.000 0.454 327 E N 0.855 121.075 120.200 0.032 0.000 2.077 327 E HA -0.202 4.274 4.350 0.211 0.000 0.193 327 E C 1.728 178.274 176.600 -0.091 0.000 0.989 327 E CA 1.659 58.056 56.400 -0.005 0.000 0.800 327 E CB -0.058 29.643 29.700 0.003 0.000 0.746 327 E HN 0.351 nan 8.360 nan 0.000 0.452 328 E N -1.002 119.107 120.200 -0.151 0.000 2.085 328 E HA -0.192 4.284 4.350 0.211 0.000 0.194 328 E C 1.975 178.348 176.600 -0.378 0.000 0.994 328 E CA 1.261 57.502 56.400 -0.266 0.000 0.801 328 E CB -0.325 29.167 29.700 -0.347 0.000 0.743 328 E HN 0.413 nan 8.360 nan 0.000 0.453 329 W N 1.386 122.436 121.300 -0.416 0.000 2.355 329 W HA -0.156 4.624 4.660 0.201 0.000 0.309 329 W C 2.509 178.272 176.519 -1.260 0.000 1.206 329 W CA 0.833 57.671 57.345 -0.844 0.000 1.284 329 W CB -0.055 28.942 29.460 -0.773 0.000 1.145 329 W HN -0.009 nan 8.180 nan 0.000 0.502 330 K N 0.902 120.975 120.400 -0.546 0.000 2.074 330 K HA -0.275 4.172 4.320 0.211 0.000 0.209 330 K C 1.890 178.389 176.600 -0.168 0.000 1.048 330 K CA 1.769 57.855 56.287 -0.334 0.000 0.926 330 K CB -0.155 32.329 32.500 -0.026 0.000 0.713 330 K HN -0.094 nan 8.250 nan 0.000 0.444 331 K N 0.898 121.205 120.400 -0.155 0.000 2.009 331 K HA -0.101 4.346 4.320 0.211 0.000 0.210 331 K C 2.008 178.575 176.600 -0.055 0.000 1.049 331 K CA 1.499 57.743 56.287 -0.072 0.000 0.929 331 K CB -0.347 32.102 32.500 -0.085 0.000 0.714 331 K HN 0.152 nan 8.250 nan 0.000 0.440 332 L N -0.411 120.719 121.223 -0.156 0.000 2.012 332 L HA -0.206 4.260 4.340 0.211 0.000 0.210 332 L C 2.184 179.152 176.870 0.164 0.000 1.073 332 L CA 1.174 55.987 54.840 -0.044 0.000 0.748 332 L CB -0.584 41.413 42.059 -0.105 0.000 0.891 332 L HN 0.104 nan 8.230 nan 0.000 0.431 333 F N 0.209 120.209 119.950 0.085 0.000 2.095 333 F HA -0.211 4.441 4.527 0.207 0.000 0.298 333 F C 2.473 178.421 175.800 0.247 0.000 1.104 333 F CA 0.865 58.937 58.000 0.121 0.000 1.232 333 F CB -1.106 37.887 39.000 -0.012 0.000 0.987 333 F HN -0.023 nan 8.300 nan 0.000 0.475 334 I N -0.138 120.637 120.570 0.342 0.000 2.179 334 I HA -0.254 4.043 4.170 0.211 0.000 0.242 334 I C 2.382 178.617 176.117 0.196 0.000 1.088 334 I CA 1.435 62.883 61.300 0.247 0.000 1.357 334 I CB -0.564 37.535 38.000 0.167 0.000 1.051 334 I HN 0.152 nan 8.210 nan 0.000 0.409 335 E N 0.888 121.185 120.200 0.162 0.000 2.153 335 E HA -0.199 4.278 4.350 0.211 0.000 0.194 335 E C 2.137 178.823 176.600 0.143 0.000 0.988 335 E CA 1.340 57.814 56.400 0.123 0.000 0.811 335 E CB -0.083 29.672 29.700 0.091 0.000 0.746 335 E HN 0.513 nan 8.360 nan 0.000 0.466 336 A N 0.054 123.016 122.820 0.237 0.000 2.208 336 A HA 0.201 4.647 4.320 0.211 0.000 0.209 336 A C 1.616 179.252 177.584 0.087 0.000 1.161 336 A CA 0.966 53.148 52.037 0.241 0.000 0.782 336 A CB -0.087 19.211 19.000 0.497 0.000 0.816 336 A HN 0.307 nan 8.150 nan 0.000 0.477 337 G N -1.991 106.873 108.800 0.106 0.000 2.132 337 G HA2 -0.228 3.858 3.960 0.211 0.000 0.228 337 G HA3 -0.228 3.858 3.960 0.211 0.000 0.228 337 G C -0.094 174.744 174.900 -0.103 0.000 1.000 337 G CA 0.027 45.113 45.100 -0.025 0.000 0.693 337 G HN 0.291 nan 8.290 nan 0.000 0.515 338 F N -0.189 119.811 119.950 0.083 0.000 2.370 338 F HA 0.524 5.178 4.527 0.212 0.000 0.324 338 F C 1.646 177.508 175.800 0.103 0.000 1.116 338 F CA 0.203 58.245 58.000 0.071 0.000 1.123 338 F CB 1.294 40.318 39.000 0.040 0.000 1.238 338 F HN 0.089 nan 8.300 nan 0.000 0.536 339 Q N 0.106 120.078 119.800 0.287 0.000 2.204 339 Q HA 0.023 4.490 4.340 0.211 0.000 0.198 339 Q C -0.432 175.701 176.000 0.222 0.000 0.946 339 Q CA 0.970 56.892 55.803 0.199 0.000 0.859 339 Q CB 0.480 29.294 28.738 0.128 0.000 0.946 339 Q HN 0.755 nan 8.270 nan 0.000 0.474 340 D N -2.165 118.407 120.400 0.288 0.000 2.713 340 D HA 0.240 5.007 4.640 0.211 0.000 0.306 340 D C -1.843 174.687 176.300 0.384 0.000 1.299 340 D CA -0.492 53.670 54.000 0.271 0.000 0.823 340 D CB 1.056 41.914 40.800 0.097 0.000 1.353 340 D HN 0.139 nan 8.370 nan 0.000 0.447 341 Y N -1.010 119.406 120.300 0.192 0.000 2.638 341 Y HA 0.698 5.375 4.550 0.212 0.000 0.335 341 Y C -1.602 174.384 175.900 0.143 0.000 1.155 341 Y CA -1.009 57.142 58.100 0.084 0.000 1.046 341 Y CB 1.492 39.917 38.460 -0.058 0.000 1.303 341 Y HN 0.333 nan 8.280 nan 0.000 0.460 342 K N 2.555 123.062 120.400 0.178 0.000 2.501 342 K HA 0.649 5.096 4.320 0.211 0.000 0.252 342 K C -2.089 174.585 176.600 0.122 0.000 0.934 342 K CA -0.648 55.687 56.287 0.080 0.000 0.797 342 K CB 1.949 34.516 32.500 0.112 0.000 1.270 342 K HN 0.869 nan 8.250 nan 0.000 0.431 343 I N 2.499 123.144 120.570 0.124 0.000 2.404 343 I HA 0.326 4.623 4.170 0.211 0.000 0.293 343 I C -0.467 175.682 176.117 0.052 0.000 0.992 343 I CA -0.658 60.698 61.300 0.092 0.000 1.149 343 I CB 2.089 40.174 38.000 0.142 0.000 1.315 343 I HN 0.538 nan 8.210 nan 0.000 0.446 344 S N 6.011 121.731 115.700 0.034 0.000 2.599 344 S HA 0.554 5.151 4.470 0.211 0.000 0.287 344 S C -2.672 171.975 174.600 0.080 0.000 1.105 344 S CA -1.292 56.938 58.200 0.050 0.000 0.899 344 S CB 2.214 65.440 63.200 0.044 0.000 1.100 344 S HN 0.300 nan 8.310 nan 0.000 0.482 345 P HA 0.236 nan 4.420 nan 0.000 0.271 345 P C -0.303 177.114 177.300 0.194 0.000 1.216 345 P CA 0.100 63.267 63.100 0.111 0.000 0.776 345 P CB 0.383 32.122 31.700 0.066 0.000 0.881 346 F N 1.594 121.560 119.950 0.026 0.000 2.522 346 F HA 0.117 4.768 4.527 0.206 0.000 0.275 346 F C 1.174 176.995 175.800 0.035 0.000 0.890 346 F CA 1.009 59.031 58.000 0.037 0.000 1.157 346 F CB -0.110 38.911 39.000 0.035 0.000 1.117 346 F HN 0.278 nan 8.300 nan 0.000 0.787 347 T N -2.807 111.801 114.554 0.090 0.000 2.676 347 T HA 0.471 4.947 4.350 0.211 0.000 0.269 347 T C 1.150 175.871 174.700 0.035 0.000 0.952 347 T CA -0.144 61.942 62.100 -0.023 0.000 1.040 347 T CB 0.701 69.596 68.868 0.045 0.000 1.352 347 T HN 0.165 nan 8.240 nan 0.000 0.554 348 G N -0.604 108.210 108.800 0.023 0.000 2.534 348 G HA2 0.144 4.231 3.960 0.211 0.000 0.217 348 G HA3 0.144 4.231 3.960 0.211 0.000 0.217 348 G C 1.058 175.994 174.900 0.058 0.000 1.128 348 G CA 0.377 45.496 45.100 0.031 0.000 0.784 348 G HN 0.593 nan 8.290 nan 0.000 0.542 349 L N -1.238 120.035 121.223 0.083 0.000 2.766 349 L HA 0.446 4.912 4.340 0.211 0.000 0.241 349 L C 0.955 177.902 176.870 0.128 0.000 1.080 349 L CA -0.006 54.894 54.840 0.100 0.000 0.909 349 L CB 0.255 42.373 42.059 0.098 0.000 1.277 349 L HN 0.073 nan 8.230 nan 0.000 0.510 350 M N -0.436 119.258 119.600 0.156 0.000 2.472 350 M HA 0.394 5.000 4.480 0.211 0.000 0.331 350 M C -0.514 175.899 176.300 0.189 0.000 1.170 350 M CA -0.106 55.296 55.300 0.170 0.000 1.009 350 M CB 2.242 34.960 32.600 0.197 0.000 1.672 350 M HN -0.087 nan 8.290 nan 0.000 0.453 351 S N 1.628 117.397 115.700 0.114 0.000 2.689 351 S HA 0.721 5.317 4.470 0.211 0.000 0.306 351 S C -1.176 173.425 174.600 0.001 0.000 1.104 351 S CA -0.890 57.367 58.200 0.096 0.000 0.973 351 S CB 2.028 65.256 63.200 0.047 0.000 1.121 351 S HN 0.682 nan 8.310 nan 0.000 0.523 352 L N 2.086 123.310 121.223 0.002 0.000 2.333 352 L HA 0.646 5.113 4.340 0.211 0.000 0.280 352 L C -1.719 175.063 176.870 -0.146 0.000 1.004 352 L CA -0.606 54.164 54.840 -0.117 0.000 0.820 352 L CB 0.514 42.550 42.059 -0.038 0.000 1.247 352 L HN 0.598 nan 8.230 nan 0.000 0.416 353 I N 4.396 124.817 120.570 -0.249 0.000 2.378 353 I HA 0.348 4.644 4.170 0.211 0.000 0.291 353 I C -0.458 175.446 176.117 -0.355 0.000 0.992 353 I CA -0.519 60.624 61.300 -0.261 0.000 1.154 353 I CB 1.823 39.612 38.000 -0.350 0.000 1.315 353 I HN 0.581 nan 8.210 nan 0.000 0.448 354 E N 6.884 126.880 120.200 -0.340 0.000 2.134 354 E HA 0.541 5.018 4.350 0.211 0.000 0.278 354 E C -0.985 175.171 176.600 -0.739 0.000 0.959 354 E CA -0.499 55.570 56.400 -0.551 0.000 0.783 354 E CB 1.999 31.398 29.700 -0.501 0.000 1.095 354 E HN 0.442 nan 8.360 nan 0.000 0.399 355 I N 3.341 123.377 120.570 -0.889 0.000 2.378 355 I HA 0.290 4.586 4.170 0.211 0.000 0.291 355 I C -0.931 174.792 176.117 -0.656 0.000 0.992 355 I CA -0.971 59.788 61.300 -0.901 0.000 1.154 355 I CB 0.690 37.831 38.000 -1.432 0.000 1.315 355 I HN 0.412 nan 8.210 nan 0.000 0.448 356 Y N 6.997 127.274 120.300 -0.039 0.000 2.331 356 Y HA 0.428 5.107 4.550 0.214 0.000 0.338 356 Y C -2.117 173.944 175.900 0.268 0.000 0.992 356 Y CA -2.674 55.483 58.100 0.095 0.000 1.121 356 Y CB 0.752 39.222 38.460 0.017 0.000 1.184 356 Y HN 0.383 nan 8.280 nan 0.000 0.469 357 P HA 0.000 nan 4.420 nan 0.000 0.216 357 P CA 0.000 63.137 63.100 0.062 0.000 0.800 357 P CB 0.000 31.656 31.700 -0.074 0.000 0.726