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 3hka_1_A DATA FIRST_RESID 3 DATA SEQUENCE INSREVLAEK VKNAVNNQPV TDMHTHLFSP NFGEILLWDI DELLTYHYLV DATA SEQUENCE AEVMRWTDVS IEAFWAMSKR EQADLIWEEL FIKRSPVSEA CRGVLTCLQG DATA SEQUENCE LGLDPATRDL QVYREYFAKK TSEEQVDTVL QLANVSDVVM TNDPFDDNER DATA SEQUENCE ISWLEGKQPD SRFHAALRLD PLLNEYEQTK HRLRDWGYKV NDEWNEGSIQ DATA SEQUENCE EVKRFLTDWI ERMDPVYMAV SLPPTFSFPE ESNRGRIIRD CLLPVAEKHN DATA SEQUENCE IPFAMMIGVK KRVHPALGDA GDFVGKASMD GVEHLLREYP NNKFLVTMLS DATA SEQUENCE RENQHELVVL ARKFSNLMIF GCWWFMNNPE IINEMTRMRM EMLGTSFIPQ DATA SEQUENCE HSDARVLEQL IYKWHHSKSI IAEVLIDKYD DILQAGWEVT EEEIKRDVAD DATA SEQUENCE LFSRNFWRFV G 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.113 176.117 -0.007 0.000 1.063 3 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 3 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 4 N N 2.870 121.571 118.700 0.002 0.000 2.577 4 N HA 0.446 5.193 4.740 0.011 0.000 0.285 4 N C -0.885 174.636 175.510 0.019 0.000 1.658 4 N CA -0.488 52.569 53.050 0.012 0.000 0.865 4 N CB 1.291 39.781 38.487 0.004 0.000 1.419 4 N HN 0.433 nan 8.380 nan 0.000 0.495 5 S N 0.077 115.792 115.700 0.024 0.000 2.556 5 S HA 0.258 4.734 4.470 0.011 0.000 0.280 5 S C 0.319 174.939 174.600 0.034 0.000 1.141 5 S CA -0.680 57.536 58.200 0.027 0.000 0.883 5 S CB 2.024 65.235 63.200 0.019 0.000 1.103 5 S HN 0.372 nan 8.310 nan 0.000 0.453 6 R N 2.074 122.598 120.500 0.041 0.000 2.096 6 R HA -0.048 4.299 4.340 0.011 0.000 0.235 6 R C 1.526 177.851 176.300 0.043 0.000 1.127 6 R CA 2.093 58.223 56.100 0.049 0.000 0.968 6 R CB -0.182 30.148 30.300 0.050 0.000 0.861 6 R HN 0.816 nan 8.270 nan 0.000 0.440 7 E N -0.399 119.821 120.200 0.033 0.000 2.031 7 E HA -0.181 4.176 4.350 0.011 0.000 0.193 7 E C 1.996 178.611 176.600 0.025 0.000 0.994 7 E CA 1.654 58.072 56.400 0.029 0.000 0.800 7 E CB -0.021 29.693 29.700 0.023 0.000 0.752 7 E HN 0.149 nan 8.360 nan 0.000 0.447 8 V N 1.545 121.470 119.914 0.020 0.000 2.343 8 V HA -0.241 3.886 4.120 0.011 0.000 0.247 8 V C 2.359 178.459 176.094 0.010 0.000 1.051 8 V CA 1.430 63.737 62.300 0.012 0.000 1.036 8 V CB -0.428 31.399 31.823 0.006 0.000 0.654 8 V HN 0.217 nan 8.190 nan 0.000 0.451 9 L N 1.008 122.241 121.223 0.018 0.000 2.012 9 L HA -0.134 4.212 4.340 0.011 0.000 0.210 9 L C 2.473 179.363 176.870 0.034 0.000 1.073 9 L CA 2.443 57.293 54.840 0.017 0.000 0.748 9 L CB -0.996 41.090 42.059 0.046 0.000 0.891 9 L HN 0.224 nan 8.230 nan 0.000 0.431 10 A N 0.081 122.929 122.820 0.048 0.000 1.883 10 A HA -0.299 4.027 4.320 0.011 0.000 0.217 10 A C 2.167 179.776 177.584 0.042 0.000 1.186 10 A CA 2.062 54.132 52.037 0.055 0.000 0.624 10 A CB -0.898 18.132 19.000 0.050 0.000 0.822 10 A HN 0.762 nan 8.150 nan 0.000 0.444 11 E N -0.722 119.494 120.200 0.028 0.000 2.072 11 E HA -0.206 4.151 4.350 0.011 0.000 0.191 11 E C 1.762 178.370 176.600 0.013 0.000 0.985 11 E CA 1.189 57.600 56.400 0.020 0.000 0.801 11 E CB -0.223 29.485 29.700 0.014 0.000 0.750 11 E HN 0.326 nan 8.360 nan 0.000 0.452 12 K N 0.897 121.300 120.400 0.004 0.000 2.057 12 K HA -0.074 4.252 4.320 0.011 0.000 0.207 12 K C 2.308 178.908 176.600 -0.000 0.000 1.049 12 K CA 1.179 57.460 56.287 -0.010 0.000 0.931 12 K CB -0.489 31.990 32.500 -0.035 0.000 0.714 12 K HN 0.146 nan 8.250 nan 0.000 0.440 13 V N 1.779 121.706 119.914 0.023 0.000 2.307 13 V HA -0.212 3.915 4.120 0.011 0.000 0.245 13 V C 2.277 178.412 176.094 0.069 0.000 1.045 13 V CA 1.619 63.962 62.300 0.073 0.000 1.024 13 V CB -0.364 31.550 31.823 0.151 0.000 0.651 13 V HN 0.323 nan 8.190 nan 0.000 0.449 14 K N 0.305 120.736 120.400 0.051 0.000 2.063 14 K HA -0.183 4.143 4.320 0.011 0.000 0.208 14 K C 2.039 178.642 176.600 0.004 0.000 1.048 14 K CA 1.698 58.004 56.287 0.031 0.000 0.928 14 K CB -0.337 32.178 32.500 0.026 0.000 0.713 14 K HN 0.431 nan 8.250 nan 0.000 0.442 15 N N 0.915 119.617 118.700 0.003 0.000 2.142 15 N HA -0.126 4.620 4.740 0.011 0.000 0.186 15 N C 1.783 177.281 175.510 -0.020 0.000 1.023 15 N CA 1.358 54.402 53.050 -0.010 0.000 0.852 15 N CB -0.334 38.149 38.487 -0.007 0.000 0.998 15 N HN 0.189 nan 8.380 nan 0.000 0.424 16 A N 0.920 123.736 122.820 -0.006 0.000 1.902 16 A HA -0.072 4.255 4.320 0.011 0.000 0.217 16 A C 2.555 180.119 177.584 -0.033 0.000 1.181 16 A CA 1.285 53.319 52.037 -0.005 0.000 0.623 16 A CB -0.789 18.227 19.000 0.026 0.000 0.818 16 A HN 0.097 nan 8.150 nan 0.000 0.443 17 V N 0.744 120.641 119.914 -0.028 0.000 2.261 17 V HA -0.314 3.813 4.120 0.011 0.000 0.246 17 V C 2.206 178.154 176.094 -0.243 0.000 1.047 17 V CA 2.356 64.579 62.300 -0.128 0.000 1.015 17 V CB -1.183 30.623 31.823 -0.028 0.000 0.642 17 V HN 0.660 nan 8.190 nan 0.000 0.446 18 N N 0.686 119.301 118.700 -0.141 0.000 2.069 18 N HA -0.172 4.574 4.740 0.011 0.000 0.191 18 N C 1.435 176.864 175.510 -0.134 0.000 1.031 18 N CA 1.482 54.453 53.050 -0.132 0.000 0.852 18 N CB -0.205 38.239 38.487 -0.071 0.000 1.018 18 N HN 0.479 nan 8.380 nan 0.000 0.423 19 N N 0.860 119.498 118.700 -0.103 0.000 2.515 19 N HA -0.075 4.671 4.740 0.011 0.000 0.185 19 N C 0.122 175.567 175.510 -0.109 0.000 1.109 19 N CA 0.344 53.342 53.050 -0.087 0.000 0.903 19 N CB 0.008 38.464 38.487 -0.053 0.000 0.969 19 N HN 0.305 nan 8.380 nan 0.000 0.450 20 Q N 2.260 121.965 119.800 -0.159 0.000 2.296 20 Q HA 0.228 4.574 4.340 0.011 0.000 0.263 20 Q C -2.623 173.254 176.000 -0.205 0.000 1.026 20 Q CA -1.801 53.909 55.803 -0.156 0.000 0.912 20 Q CB 0.829 29.472 28.738 -0.159 0.000 1.198 20 Q HN -0.019 nan 8.270 nan 0.000 0.407 21 P HA -0.026 nan 4.420 nan 0.000 0.264 21 P C -1.094 176.099 177.300 -0.178 0.000 1.193 21 P CA 0.005 63.017 63.100 -0.147 0.000 0.763 21 P CB 0.737 32.387 31.700 -0.082 0.000 0.810 22 V N 4.175 123.906 119.914 -0.304 0.000 2.481 22 V HA 0.270 4.396 4.120 0.011 0.000 0.286 22 V C 0.584 176.505 176.094 -0.289 0.000 1.042 22 V CA -0.005 62.047 62.300 -0.413 0.000 0.928 22 V CB 1.581 32.814 31.823 -0.982 0.000 0.986 22 V HN 0.441 nan 8.190 nan 0.000 0.462 23 T N 3.219 117.669 114.554 -0.174 0.000 2.770 23 T HA 0.182 4.538 4.350 0.011 0.000 0.297 23 T C -0.324 174.246 174.700 -0.217 0.000 0.997 23 T CA -0.186 61.866 62.100 -0.081 0.000 0.949 23 T CB 0.320 69.249 68.868 0.103 0.000 0.941 23 T HN 0.687 nan 8.240 nan 0.000 0.457 24 D N 4.487 124.787 120.400 -0.166 0.000 2.422 24 D HA 0.136 4.782 4.640 0.011 0.000 0.227 24 D C 1.210 177.397 176.300 -0.188 0.000 1.190 24 D CA -0.595 53.416 54.000 0.019 0.000 0.905 24 D CB 0.863 41.763 40.800 0.167 0.000 1.034 24 D HN 0.440 nan 8.370 nan 0.000 0.507 25 M N 2.112 121.470 119.600 -0.404 0.000 2.686 25 M HA 0.137 4.624 4.480 0.011 0.000 0.246 25 M C -0.193 175.893 176.300 -0.357 0.000 1.096 25 M CA 0.576 55.410 55.300 -0.778 0.000 1.076 25 M CB -0.313 31.269 32.600 -1.698 0.000 1.504 25 M HN 0.213 nan 8.290 nan 0.000 0.524 26 H N -0.088 118.824 119.070 -0.264 0.000 3.235 26 H HA 0.574 5.137 4.556 0.011 0.000 0.324 26 H C -1.250 174.023 175.328 -0.092 0.000 1.059 26 H CA -0.298 55.606 56.048 -0.241 0.000 1.497 26 H CB 0.851 30.341 29.762 -0.454 0.000 1.986 26 H HN 0.362 nan 8.280 nan 0.000 0.444 27 T N 1.113 115.255 114.554 -0.688 0.000 2.754 27 T HA 0.329 4.685 4.350 0.011 0.000 0.296 27 T C -0.583 173.666 174.700 -0.752 0.000 1.205 27 T CA -0.847 60.918 62.100 -0.558 0.000 1.009 27 T CB 1.656 70.384 68.868 -0.232 0.000 1.368 27 T HN 0.678 nan 8.240 nan 0.000 0.509 28 H N 0.620 119.509 119.070 -0.300 0.000 2.505 28 H HA 0.440 5.003 4.556 0.011 0.000 0.260 28 H C -0.364 174.785 175.328 -0.299 0.000 1.168 28 H CA -0.161 55.727 56.048 -0.267 0.000 0.945 28 H CB 0.101 29.819 29.762 -0.074 0.000 1.800 28 H HN 0.323 nan 8.280 nan 0.000 0.586 29 L N 0.177 121.222 121.223 -0.296 0.000 2.358 29 L HA 0.472 4.818 4.340 0.011 0.000 0.268 29 L C -0.549 176.055 176.870 -0.443 0.000 1.032 29 L CA -0.764 53.993 54.840 -0.139 0.000 0.805 29 L CB 1.258 43.364 42.059 0.079 0.000 1.253 29 L HN -0.050 nan 8.230 nan 0.000 0.452 30 F N -1.050 118.893 119.950 -0.012 0.000 2.603 30 F HA 0.318 4.851 4.527 0.010 0.000 0.317 30 F C 0.459 175.865 175.800 -0.656 0.000 1.066 30 F CA -0.683 57.146 58.000 -0.286 0.000 0.941 30 F CB 2.016 40.852 39.000 -0.274 0.000 1.291 30 F HN 0.274 nan 8.300 nan 0.000 0.472 31 S N 2.129 117.334 115.700 -0.824 0.000 2.549 31 S HA 0.110 4.586 4.470 0.011 0.000 0.286 31 S C -1.629 172.710 174.600 -0.434 0.000 1.314 31 S CA -0.948 56.551 58.200 -1.169 0.000 1.062 31 S CB 0.842 63.684 63.200 -0.596 0.000 0.865 31 S HN 0.356 nan 8.310 nan 0.000 0.498 32 P HA -0.188 nan 4.420 nan 0.000 0.218 32 P C 1.131 178.403 177.300 -0.047 0.000 1.152 32 P CA 1.258 64.269 63.100 -0.149 0.000 0.857 32 P CB -0.115 31.500 31.700 -0.141 0.000 0.787 33 N N -1.243 117.434 118.700 -0.039 0.000 2.573 33 N HA -0.124 4.622 4.740 0.011 0.000 0.187 33 N C 1.072 176.542 175.510 -0.066 0.000 1.107 33 N CA 0.872 53.894 53.050 -0.045 0.000 0.918 33 N CB -1.189 37.253 38.487 -0.076 0.000 0.966 33 N HN 0.166 nan 8.380 nan 0.000 0.448 34 F N 0.765 120.598 119.950 -0.195 0.000 2.780 34 F HA 0.263 4.796 4.527 0.010 0.000 0.299 34 F C 1.966 177.662 175.800 -0.174 0.000 1.146 34 F CA 0.639 58.509 58.000 -0.217 0.000 1.428 34 F CB -0.236 38.620 39.000 -0.241 0.000 1.115 34 F HN 0.338 nan 8.300 nan 0.000 0.583 35 G N 0.010 108.826 108.800 0.028 0.000 2.512 35 G HA2 -0.219 3.748 3.960 0.011 0.000 0.210 35 G HA3 -0.219 3.748 3.960 0.011 0.000 0.210 35 G C 0.609 175.542 174.900 0.055 0.000 1.295 35 G CA -0.210 44.898 45.100 0.013 0.000 0.934 35 G HN 0.026 nan 8.290 nan 0.000 0.554 36 E N -0.397 119.828 120.200 0.042 0.000 2.401 36 E HA -0.066 4.291 4.350 0.011 0.000 0.199 36 E C 2.405 179.041 176.600 0.060 0.000 1.023 36 E CA 0.925 57.364 56.400 0.064 0.000 0.859 36 E CB -0.034 29.685 29.700 0.032 0.000 0.780 36 E HN 0.493 nan 8.360 nan 0.000 0.523 37 I N 0.916 121.484 120.570 -0.004 0.000 2.530 37 I HA -0.182 3.994 4.170 0.011 0.000 0.257 37 I C 0.763 176.957 176.117 0.128 0.000 1.179 37 I CA 0.495 61.744 61.300 -0.084 0.000 1.440 37 I CB 0.017 37.742 38.000 -0.457 0.000 1.087 37 I HN -0.025 nan 8.210 nan 0.000 0.440 38 L N 2.101 123.442 121.223 0.197 0.000 2.260 38 L HA 0.385 4.731 4.340 0.011 0.000 0.289 38 L C -0.756 176.314 176.870 0.332 0.000 1.057 38 L CA 0.006 55.030 54.840 0.307 0.000 0.811 38 L CB 0.266 42.464 42.059 0.232 0.000 1.184 38 L HN -0.031 nan 8.230 nan 0.000 0.429 39 L N 6.403 127.811 121.223 0.308 0.000 2.325 39 L HA 0.644 4.991 4.340 0.011 0.000 0.279 39 L C -0.631 176.453 176.870 0.357 0.000 1.054 39 L CA -0.592 54.398 54.840 0.250 0.000 0.804 39 L CB 1.206 43.358 42.059 0.156 0.000 1.200 39 L HN 0.760 nan 8.230 nan 0.000 0.436 40 W N 2.267 123.574 121.300 0.012 0.000 3.057 40 W HA 0.524 5.192 4.660 0.012 0.000 0.328 40 W C -1.762 174.683 176.519 -0.123 0.000 1.232 40 W CA -1.164 56.169 57.345 -0.020 0.000 1.187 40 W CB 0.753 30.243 29.460 0.050 0.000 1.417 40 W HN 0.706 nan 8.180 nan 0.000 0.569 41 D N -0.999 119.322 120.400 -0.132 0.000 10.538 41 D HA -0.239 4.407 4.640 0.011 0.000 0.332 41 D C -0.390 175.361 176.300 -0.914 0.000 3.156 41 D CA 0.200 53.638 54.000 -0.937 0.000 2.703 41 D CB -0.778 39.523 40.800 -0.831 0.000 1.270 41 D HN 0.455 nan 8.370 nan 0.000 0.954 42 I N 0.490 120.251 120.570 -1.349 0.000 2.264 42 I HA -0.138 4.039 4.170 0.011 0.000 0.248 42 I C 1.508 177.461 176.117 -0.273 0.000 1.111 42 I CA 1.856 62.834 61.300 -0.537 0.000 1.382 42 I CB -0.570 37.295 38.000 -0.226 0.000 1.060 42 I HN 0.493 nan 8.210 nan 0.000 0.418 43 D N 0.304 120.544 120.400 -0.268 0.000 2.178 43 D HA -0.137 4.509 4.640 0.011 0.000 0.202 43 D C 2.130 178.384 176.300 -0.077 0.000 0.974 43 D CA 0.908 54.827 54.000 -0.136 0.000 0.841 43 D CB -0.111 40.608 40.800 -0.134 0.000 0.953 43 D HN 0.406 nan 8.370 nan 0.000 0.478 44 E N 0.115 120.237 120.200 -0.130 0.000 2.107 44 E HA -0.040 4.317 4.350 0.011 0.000 0.191 44 E C 2.422 179.027 176.600 0.009 0.000 0.982 44 E CA 0.181 56.554 56.400 -0.044 0.000 0.809 44 E CB -0.118 29.535 29.700 -0.078 0.000 0.756 44 E HN 0.355 nan 8.360 nan 0.000 0.459 45 L N 0.424 121.619 121.223 -0.048 0.000 2.046 45 L HA -0.150 4.196 4.340 0.011 0.000 0.208 45 L C 2.505 179.439 176.870 0.108 0.000 1.077 45 L CA 0.863 55.699 54.840 -0.007 0.000 0.747 45 L CB -0.355 41.682 42.059 -0.036 0.000 0.896 45 L HN 0.101 nan 8.230 nan 0.000 0.432 46 L N -0.639 120.647 121.223 0.105 0.000 2.291 46 L HA -0.099 4.247 4.340 0.011 0.000 0.214 46 L C 2.200 179.227 176.870 0.261 0.000 1.120 46 L CA 1.331 56.290 54.840 0.198 0.000 0.799 46 L CB -0.566 41.586 42.059 0.155 0.000 0.925 46 L HN 0.409 nan 8.230 nan 0.000 0.446 47 T N -4.516 110.181 114.554 0.239 0.000 3.163 47 T HA -0.009 4.347 4.350 0.011 0.000 0.252 47 T C 0.437 175.358 174.700 0.367 0.000 1.056 47 T CA -0.416 61.870 62.100 0.310 0.000 0.947 47 T CB -0.435 68.590 68.868 0.261 0.000 1.016 47 T HN 0.051 nan 8.240 nan 0.000 0.554 48 Y N 4.333 124.733 120.300 0.166 0.000 2.811 48 Y HA 0.067 4.624 4.550 0.010 0.000 0.334 48 Y C 1.577 177.596 175.900 0.198 0.000 1.247 48 Y CA -0.669 57.496 58.100 0.109 0.000 1.526 48 Y CB 0.396 38.863 38.460 0.011 0.000 1.284 48 Y HN 0.524 nan 8.280 nan 0.000 0.586 49 H N 2.958 122.102 119.070 0.123 0.000 2.489 49 H HA -0.197 4.365 4.556 0.010 0.000 0.295 49 H C 1.113 176.475 175.328 0.057 0.000 1.082 49 H CA 2.151 58.265 56.048 0.111 0.000 1.295 49 H CB -0.777 29.072 29.762 0.146 0.000 1.380 49 H HN 0.687 nan 8.280 nan 0.000 0.548 50 Y N 0.836 120.735 120.300 -0.669 0.000 2.165 50 Y HA -0.105 4.451 4.550 0.010 0.000 0.286 50 Y C 2.432 178.309 175.900 -0.038 0.000 1.155 50 Y CA 1.208 59.117 58.100 -0.317 0.000 1.164 50 Y CB -0.389 37.789 38.460 -0.470 0.000 0.978 50 Y HN 0.267 nan 8.280 nan 0.000 0.513 51 L N -1.663 119.677 121.223 0.195 0.000 2.313 51 L HA -0.108 4.238 4.340 0.011 0.000 0.214 51 L C 2.141 179.070 176.870 0.098 0.000 1.119 51 L CA 0.237 55.194 54.840 0.194 0.000 0.809 51 L CB -0.516 41.710 42.059 0.279 0.000 0.933 51 L HN 0.037 nan 8.230 nan 0.000 0.449 52 V N 0.273 120.231 119.914 0.072 0.000 2.358 52 V HA -0.248 3.878 4.120 0.011 0.000 0.246 52 V C 2.759 178.751 176.094 -0.169 0.000 1.047 52 V CA 1.801 64.015 62.300 -0.143 0.000 1.035 52 V CB -0.676 31.123 31.823 -0.041 0.000 0.658 52 V HN 0.465 nan 8.190 nan 0.000 0.452 53 A N -0.333 122.476 122.820 -0.018 0.000 1.873 53 A HA -0.230 4.097 4.320 0.011 0.000 0.215 53 A C 2.172 179.730 177.584 -0.044 0.000 1.186 53 A CA 1.836 53.858 52.037 -0.025 0.000 0.616 53 A CB -0.454 18.578 19.000 0.054 0.000 0.823 53 A HN 0.604 nan 8.150 nan 0.000 0.442 54 E N -0.759 119.445 120.200 0.006 0.000 2.106 54 E HA -0.112 4.244 4.350 0.011 0.000 0.192 54 E C 1.916 178.543 176.600 0.044 0.000 0.984 54 E CA 1.069 57.483 56.400 0.023 0.000 0.806 54 E CB -0.243 29.504 29.700 0.078 0.000 0.750 54 E HN 0.363 nan 8.360 nan 0.000 0.458 55 V N 1.007 120.933 119.914 0.019 0.000 2.515 55 V HA -0.207 3.919 4.120 0.011 0.000 0.250 55 V C 1.882 177.964 176.094 -0.020 0.000 1.058 55 V CA 1.254 63.578 62.300 0.040 0.000 1.064 55 V CB -0.143 31.657 31.823 -0.037 0.000 0.675 55 V HN 0.314 nan 8.190 nan 0.000 0.461 56 M N -0.673 118.844 119.600 -0.138 0.000 2.549 56 M HA -0.046 4.440 4.480 0.011 0.000 0.260 56 M C 2.038 178.276 176.300 -0.104 0.000 1.076 56 M CA 1.324 56.535 55.300 -0.147 0.000 1.090 56 M CB -1.178 31.302 32.600 -0.201 0.000 1.418 56 M HN 0.346 nan 8.290 nan 0.000 0.486 57 R N -2.102 118.316 120.500 -0.136 0.000 2.275 57 R HA -0.078 4.268 4.340 0.011 0.000 0.199 57 R C 1.499 177.598 176.300 -0.336 0.000 0.989 57 R CA 0.832 56.765 56.100 -0.279 0.000 1.016 57 R CB 0.145 30.195 30.300 -0.417 0.000 0.918 57 R HN 0.440 nan 8.270 nan 0.000 0.473 58 W N -0.592 120.673 121.300 -0.059 0.000 3.227 58 W HA 0.126 4.791 4.660 0.008 0.000 0.246 58 W C 1.140 177.637 176.519 -0.036 0.000 1.007 58 W CA -0.315 57.003 57.345 -0.045 0.000 1.925 58 W CB -0.339 29.095 29.460 -0.044 0.000 1.062 58 W HN -0.239 nan 8.180 nan 0.000 0.649 59 T N 2.059 116.746 114.554 0.222 0.000 2.932 59 T HA -0.069 4.288 4.350 0.011 0.000 0.312 59 T C 0.848 175.593 174.700 0.074 0.000 1.071 59 T CA 0.520 62.692 62.100 0.120 0.000 1.128 59 T CB 0.577 69.493 68.868 0.080 0.000 0.984 59 T HN 0.244 nan 8.240 nan 0.000 0.549 60 D N 2.884 123.324 120.400 0.067 0.000 2.339 60 D HA 0.012 4.658 4.640 0.011 0.000 0.217 60 D C 0.452 176.777 176.300 0.042 0.000 1.050 60 D CA -0.078 53.951 54.000 0.048 0.000 0.856 60 D CB -0.123 40.705 40.800 0.048 0.000 0.922 60 D HN 0.273 nan 8.370 nan 0.000 0.518 61 V N 2.389 122.332 119.914 0.048 0.000 2.508 61 V HA 0.083 4.209 4.120 0.011 0.000 0.281 61 V C 1.074 177.191 176.094 0.038 0.000 1.041 61 V CA -0.607 61.727 62.300 0.056 0.000 1.016 61 V CB 0.833 32.711 31.823 0.091 0.000 0.984 61 V HN 0.325 nan 8.190 nan 0.000 0.478 62 S N 4.955 120.680 115.700 0.042 0.000 2.566 62 S HA 0.080 4.557 4.470 0.011 0.000 0.280 62 S C 1.074 175.689 174.600 0.025 0.000 1.343 62 S CA -0.199 58.021 58.200 0.034 0.000 1.036 62 S CB 0.550 63.781 63.200 0.050 0.000 0.866 62 S HN 0.642 nan 8.310 nan 0.000 0.526 63 I N 1.265 121.832 120.570 -0.005 0.000 2.361 63 I HA -0.066 4.110 4.170 0.011 0.000 0.251 63 I C 1.979 178.114 176.117 0.029 0.000 1.133 63 I CA 1.611 62.863 61.300 -0.080 0.000 1.413 63 I CB -0.793 37.173 38.000 -0.057 0.000 1.073 63 I HN 0.802 nan 8.210 nan 0.000 0.424 64 E N 1.030 121.307 120.200 0.129 0.000 2.031 64 E HA -0.146 4.210 4.350 0.011 0.000 0.193 64 E C 2.311 179.013 176.600 0.170 0.000 0.994 64 E CA 1.716 58.234 56.400 0.197 0.000 0.800 64 E CB -0.832 28.953 29.700 0.143 0.000 0.752 64 E HN 0.577 nan 8.360 nan 0.000 0.447 65 A N 0.310 123.197 122.820 0.112 0.000 1.908 65 A HA -0.191 4.135 4.320 0.011 0.000 0.218 65 A C 2.146 179.776 177.584 0.076 0.000 1.181 65 A CA 1.423 53.513 52.037 0.088 0.000 0.627 65 A CB -0.890 18.154 19.000 0.072 0.000 0.818 65 A HN 0.325 nan 8.150 nan 0.000 0.445 66 F N -0.733 119.161 119.950 -0.093 0.000 2.069 66 F HA -0.217 4.315 4.527 0.008 0.000 0.298 66 F C 2.037 177.783 175.800 -0.090 0.000 1.113 66 F CA 1.838 59.726 58.000 -0.188 0.000 1.214 66 F CB -0.553 38.184 39.000 -0.437 0.000 0.978 66 F HN 0.425 nan 8.300 nan 0.000 0.474 67 W N -0.275 121.080 121.300 0.091 0.000 2.525 67 W HA -0.026 4.640 4.660 0.011 0.000 0.259 67 W C 2.342 178.825 176.519 -0.060 0.000 1.253 67 W CA 0.471 57.818 57.345 0.003 0.000 1.262 67 W CB -0.381 29.140 29.460 0.100 0.000 1.122 67 W HN 0.106 nan 8.180 nan 0.000 0.607 68 A N -0.309 122.607 122.820 0.160 0.000 2.072 68 A HA 0.078 4.405 4.320 0.011 0.000 0.216 68 A C 1.141 178.731 177.584 0.010 0.000 1.156 68 A CA 0.295 52.383 52.037 0.084 0.000 0.701 68 A CB -0.406 18.640 19.000 0.077 0.000 0.816 68 A HN 0.083 nan 8.150 nan 0.000 0.458 69 M N 0.685 120.244 119.600 -0.068 0.000 2.198 69 M HA 0.221 4.707 4.480 0.011 0.000 0.315 69 M C 0.960 177.201 176.300 -0.098 0.000 1.134 69 M CA -0.150 55.086 55.300 -0.107 0.000 1.171 69 M CB 0.691 33.172 32.600 -0.198 0.000 1.413 69 M HN 0.368 nan 8.290 nan 0.000 0.467 70 S N 0.209 115.864 115.700 -0.075 0.000 2.655 70 S HA 0.224 4.700 4.470 0.011 0.000 0.265 70 S C 0.730 175.285 174.600 -0.075 0.000 1.240 70 S CA -0.714 57.453 58.200 -0.055 0.000 0.986 70 S CB 1.216 64.393 63.200 -0.038 0.000 0.985 70 S HN 0.684 nan 8.310 nan 0.000 0.562 71 K N 0.857 121.229 120.400 -0.047 0.000 2.032 71 K HA -0.119 4.208 4.320 0.011 0.000 0.209 71 K C 2.393 178.968 176.600 -0.041 0.000 1.048 71 K CA 1.883 58.148 56.287 -0.037 0.000 0.927 71 K CB -0.471 32.011 32.500 -0.030 0.000 0.712 71 K HN 0.741 nan 8.250 nan 0.000 0.441 72 R N 0.581 121.054 120.500 -0.044 0.000 2.096 72 R HA -0.096 4.251 4.340 0.011 0.000 0.235 72 R C 1.843 178.128 176.300 -0.026 0.000 1.127 72 R CA 1.856 57.932 56.100 -0.039 0.000 0.968 72 R CB -0.087 30.188 30.300 -0.041 0.000 0.861 72 R HN 0.328 nan 8.270 nan 0.000 0.440 73 E N 0.124 120.301 120.200 -0.039 0.000 2.072 73 E HA -0.224 4.133 4.350 0.011 0.000 0.191 73 E C 2.157 178.740 176.600 -0.029 0.000 0.985 73 E CA 1.406 57.788 56.400 -0.032 0.000 0.801 73 E CB -0.030 29.640 29.700 -0.050 0.000 0.750 73 E HN 0.537 nan 8.360 nan 0.000 0.452 74 Q N 0.485 120.220 119.800 -0.108 0.000 2.084 74 Q HA -0.126 4.220 4.340 0.011 0.000 0.202 74 Q C 2.267 178.352 176.000 0.141 0.000 0.978 74 Q CA 1.313 57.045 55.803 -0.118 0.000 0.844 74 Q CB -0.192 28.301 28.738 -0.407 0.000 0.898 74 Q HN 0.225 nan 8.270 nan 0.000 0.426 75 A N 1.603 124.477 122.820 0.091 0.000 1.902 75 A HA -0.222 4.104 4.320 0.011 0.000 0.217 75 A C 1.664 179.341 177.584 0.155 0.000 1.181 75 A CA 1.717 53.828 52.037 0.124 0.000 0.623 75 A CB -0.407 18.616 19.000 0.038 0.000 0.818 75 A HN 0.241 nan 8.150 nan 0.000 0.443 76 D N -0.381 120.083 120.400 0.106 0.000 2.117 76 D HA -0.133 4.514 4.640 0.011 0.000 0.197 76 D C 1.872 178.295 176.300 0.205 0.000 0.987 76 D CA 1.352 55.432 54.000 0.133 0.000 0.829 76 D CB -0.385 40.458 40.800 0.072 0.000 0.961 76 D HN 0.361 nan 8.370 nan 0.000 0.460 77 L N 1.012 122.348 121.223 0.188 0.000 2.017 77 L HA -0.111 4.236 4.340 0.011 0.000 0.208 77 L C 2.219 179.231 176.870 0.237 0.000 1.073 77 L CA 1.349 56.311 54.840 0.204 0.000 0.745 77 L CB -0.493 41.706 42.059 0.233 0.000 0.894 77 L HN -0.039 nan 8.230 nan 0.000 0.432 78 I N -1.653 119.091 120.570 0.290 0.000 2.226 78 I HA -0.336 3.840 4.170 0.011 0.000 0.245 78 I C 2.384 178.733 176.117 0.387 0.000 1.100 78 I CA 1.626 63.111 61.300 0.308 0.000 1.374 78 I CB -0.594 37.607 38.000 0.335 0.000 1.057 78 I HN 0.574 nan 8.210 nan 0.000 0.413 79 W N 2.247 123.649 121.300 0.170 0.000 2.335 79 W HA -0.281 4.384 4.660 0.009 0.000 0.311 79 W C 2.402 179.043 176.519 0.202 0.000 1.213 79 W CA 2.169 59.584 57.345 0.116 0.000 1.274 79 W CB -0.107 29.319 29.460 -0.058 0.000 1.148 79 W HN 0.175 nan 8.180 nan 0.000 0.498 80 E N 0.687 121.041 120.200 0.256 0.000 2.051 80 E HA -0.229 4.128 4.350 0.011 0.000 0.192 80 E C 2.007 178.612 176.600 0.008 0.000 0.991 80 E CA 2.040 58.506 56.400 0.111 0.000 0.799 80 E CB -0.544 29.240 29.700 0.140 0.000 0.748 80 E HN 0.144 nan 8.360 nan 0.000 0.449 81 E N -0.147 120.079 120.200 0.043 0.000 2.072 81 E HA -0.079 4.277 4.350 0.011 0.000 0.190 81 E C 2.137 178.644 176.600 -0.154 0.000 0.982 81 E CA 0.927 57.300 56.400 -0.045 0.000 0.803 81 E CB 0.002 29.730 29.700 0.047 0.000 0.755 81 E HN 0.385 nan 8.360 nan 0.000 0.453 82 L N -1.256 119.944 121.223 -0.039 0.000 2.513 82 L HA 0.153 4.500 4.340 0.011 0.000 0.222 82 L C 1.655 178.263 176.870 -0.437 0.000 1.096 82 L CA 0.153 54.882 54.840 -0.185 0.000 0.857 82 L CB 0.058 42.062 42.059 -0.091 0.000 1.026 82 L HN 0.007 nan 8.230 nan 0.000 0.469 83 F N -1.246 118.474 119.950 -0.383 0.000 2.592 83 F HA 0.156 4.689 4.527 0.010 0.000 0.280 83 F C 2.038 177.549 175.800 -0.483 0.000 1.083 83 F CA -0.027 57.639 58.000 -0.555 0.000 1.365 83 F CB 0.372 38.695 39.000 -1.129 0.000 1.100 83 F HN -0.182 nan 8.300 nan 0.000 0.633 84 I N 0.502 120.927 120.570 -0.243 0.000 2.385 84 I HA -0.066 4.111 4.170 0.011 0.000 0.244 84 I C 1.921 177.940 176.117 -0.165 0.000 1.089 84 I CA 1.238 62.435 61.300 -0.172 0.000 1.410 84 I CB -1.190 36.752 38.000 -0.097 0.000 1.117 84 I HN 0.052 nan 8.210 nan 0.000 0.429 85 K N 0.582 120.865 120.400 -0.195 0.000 2.211 85 K HA -0.070 4.256 4.320 0.011 0.000 0.203 85 K C 0.138 176.537 176.600 -0.336 0.000 1.050 85 K CA 0.828 56.968 56.287 -0.246 0.000 0.945 85 K CB 0.121 32.452 32.500 -0.281 0.000 0.732 85 K HN 0.200 nan 8.250 nan 0.000 0.451 86 R N -0.705 119.573 120.500 -0.369 0.000 2.740 86 R HA 0.242 4.588 4.340 0.011 0.000 0.273 86 R C -1.100 175.029 176.300 -0.284 0.000 0.998 86 R CA -0.482 55.400 56.100 -0.363 0.000 0.900 86 R CB 1.861 31.842 30.300 -0.531 0.000 1.223 86 R HN -0.161 nan 8.270 nan 0.000 0.466 87 S N 3.503 119.076 115.700 -0.212 0.000 2.549 87 S HA 0.163 4.640 4.470 0.011 0.000 0.283 87 S C -1.926 172.516 174.600 -0.262 0.000 1.320 87 S CA -0.636 57.447 58.200 -0.196 0.000 1.058 87 S CB 0.535 63.661 63.200 -0.124 0.000 0.882 87 S HN 0.442 nan 8.310 nan 0.000 0.498 88 P HA 0.090 nan 4.420 nan 0.000 0.226 88 P C 0.746 177.873 177.300 -0.288 0.000 1.783 88 P CA -0.150 62.625 63.100 -0.542 0.000 0.980 88 P CB -0.420 30.728 31.700 -0.920 0.000 1.967 89 V N -0.541 119.263 119.914 -0.182 0.000 3.406 89 V HA 0.014 4.140 4.120 0.011 0.000 0.263 89 V C 1.167 177.220 176.094 -0.067 0.000 1.172 89 V CA 0.445 62.685 62.300 -0.100 0.000 1.140 89 V CB -1.273 30.512 31.823 -0.063 0.000 0.784 89 V HN 0.378 nan 8.190 nan 0.000 0.467 90 S N 0.584 116.241 115.700 -0.072 0.000 2.584 90 S HA 0.117 4.593 4.470 0.011 0.000 0.270 90 S C 1.091 175.696 174.600 0.008 0.000 1.346 90 S CA 0.613 58.806 58.200 -0.012 0.000 1.018 90 S CB 1.316 64.520 63.200 0.007 0.000 0.899 90 S HN 0.513 nan 8.310 nan 0.000 0.542 91 E N 2.107 122.350 120.200 0.072 0.000 2.085 91 E HA -0.116 4.240 4.350 0.011 0.000 0.194 91 E C 2.052 178.713 176.600 0.101 0.000 0.994 91 E CA 1.946 58.419 56.400 0.121 0.000 0.801 91 E CB -0.964 28.854 29.700 0.197 0.000 0.743 91 E HN 0.814 nan 8.360 nan 0.000 0.453 92 A N -0.132 122.779 122.820 0.152 0.000 1.902 92 A HA -0.186 4.141 4.320 0.011 0.000 0.217 92 A C 2.618 180.216 177.584 0.024 0.000 1.181 92 A CA 1.526 53.655 52.037 0.153 0.000 0.623 92 A CB -1.034 18.163 19.000 0.327 0.000 0.818 92 A HN 0.509 nan 8.150 nan 0.000 0.443 93 C N -1.154 118.146 119.300 -0.001 0.000 2.453 93 C HA -0.039 4.428 4.460 0.011 0.000 0.277 93 C C 2.811 177.789 174.990 -0.019 0.000 1.262 93 C CA 1.056 60.031 59.018 -0.072 0.000 1.718 93 C CB -1.204 26.239 27.740 -0.495 0.000 2.031 93 C HN 0.724 nan 8.230 nan 0.000 0.480 94 R N 1.103 121.565 120.500 -0.063 0.000 2.103 94 R HA -0.143 4.204 4.340 0.011 0.000 0.242 94 R C 2.224 178.504 176.300 -0.034 0.000 1.142 94 R CA 2.159 58.251 56.100 -0.013 0.000 0.960 94 R CB -0.817 29.482 30.300 -0.001 0.000 0.858 94 R HN 0.562 nan 8.270 nan 0.000 0.439 95 G N 0.304 108.914 108.800 -0.316 0.000 2.440 95 G HA2 -0.234 3.732 3.960 0.011 0.000 0.218 95 G HA3 -0.234 3.732 3.960 0.011 0.000 0.218 95 G C 1.459 176.001 174.900 -0.596 0.000 1.154 95 G CA 0.977 45.365 45.100 -1.188 0.000 0.767 95 G HN 0.253 nan 8.290 nan 0.000 0.552 96 V N 1.063 120.852 119.914 -0.209 0.000 2.343 96 V HA -0.158 3.969 4.120 0.011 0.000 0.247 96 V C 2.929 179.047 176.094 0.039 0.000 1.051 96 V CA 1.578 63.891 62.300 0.022 0.000 1.036 96 V CB -0.446 31.510 31.823 0.223 0.000 0.654 96 V HN 0.367 nan 8.190 nan 0.000 0.451 97 L N -0.475 120.804 121.223 0.092 0.000 2.017 97 L HA -0.171 4.175 4.340 0.011 0.000 0.208 97 L C 2.637 179.512 176.870 0.007 0.000 1.073 97 L CA 2.006 56.887 54.840 0.069 0.000 0.745 97 L CB -1.256 40.871 42.059 0.114 0.000 0.894 97 L HN 0.317 nan 8.230 nan 0.000 0.432 98 T N -0.815 113.747 114.554 0.014 0.000 2.759 98 T HA -0.205 4.152 4.350 0.011 0.000 0.269 98 T C 2.053 176.749 174.700 -0.007 0.000 1.042 98 T CA 1.533 63.634 62.100 0.003 0.000 1.140 98 T CB -0.370 68.561 68.868 0.106 0.000 0.864 98 T HN 0.396 nan 8.240 nan 0.000 0.455 99 C N 0.781 120.096 119.300 0.025 0.000 2.453 99 C HA 0.087 4.553 4.460 0.011 0.000 0.277 99 C C 2.684 177.676 174.990 0.004 0.000 1.262 99 C CA 0.219 59.271 59.018 0.056 0.000 1.718 99 C CB -1.356 26.447 27.740 0.105 0.000 2.031 99 C HN 0.521 nan 8.230 nan 0.000 0.480 100 L N 0.505 121.696 121.223 -0.053 0.000 1.989 100 L HA -0.266 4.080 4.340 0.011 0.000 0.211 100 L C 2.816 179.592 176.870 -0.156 0.000 1.071 100 L CA 1.980 56.721 54.840 -0.166 0.000 0.749 100 L CB -0.995 40.855 42.059 -0.348 0.000 0.890 100 L HN 0.472 nan 8.230 nan 0.000 0.431 101 Q N 0.100 119.839 119.800 -0.102 0.000 2.135 101 Q HA -0.190 4.156 4.340 0.011 0.000 0.204 101 Q C 2.108 178.071 176.000 -0.061 0.000 0.981 101 Q CA 1.776 57.537 55.803 -0.071 0.000 0.856 101 Q CB -0.240 28.471 28.738 -0.045 0.000 0.902 101 Q HN 0.552 nan 8.270 nan 0.000 0.425 102 G N 0.703 109.474 108.800 -0.048 0.000 2.422 102 G HA2 -0.173 3.794 3.960 0.011 0.000 0.218 102 G HA3 -0.173 3.794 3.960 0.011 0.000 0.218 102 G C 1.237 176.119 174.900 -0.030 0.000 1.140 102 G CA 0.374 45.463 45.100 -0.017 0.000 0.775 102 G HN 0.331 nan 8.290 nan 0.000 0.545 103 L N 0.203 121.373 121.223 -0.088 0.000 2.599 103 L HA 0.246 4.593 4.340 0.011 0.000 0.230 103 L C 2.104 178.834 176.870 -0.232 0.000 1.141 103 L CA 0.513 55.252 54.840 -0.168 0.000 0.877 103 L CB 0.108 41.964 42.059 -0.338 0.000 1.009 103 L HN 0.401 nan 8.230 nan 0.000 0.447 104 G N -0.302 108.407 108.800 -0.151 0.000 2.213 104 G HA2 -0.241 3.725 3.960 0.011 0.000 0.236 104 G HA3 -0.241 3.725 3.960 0.011 0.000 0.236 104 G C 0.339 175.166 174.900 -0.122 0.000 0.991 104 G CA -0.298 44.737 45.100 -0.109 0.000 0.629 104 G HN 0.171 nan 8.290 nan 0.000 0.517 105 L N 0.706 121.808 121.223 -0.202 0.000 2.472 105 L HA 0.528 4.874 4.340 0.011 0.000 0.260 105 L C 0.254 177.114 176.870 -0.018 0.000 1.209 105 L CA -0.182 54.592 54.840 -0.110 0.000 0.817 105 L CB 0.548 42.491 42.059 -0.193 0.000 1.106 105 L HN 0.190 nan 8.230 nan 0.000 0.479 106 D N 0.547 121.022 120.400 0.125 0.000 2.453 106 D HA 0.295 4.941 4.640 0.011 0.000 0.238 106 D C -1.992 174.449 176.300 0.235 0.000 1.088 106 D CA -1.959 52.120 54.000 0.132 0.000 0.854 106 D CB 1.803 42.671 40.800 0.113 0.000 1.076 106 D HN 0.066 nan 8.370 nan 0.000 0.533 107 P HA -0.013 nan 4.420 nan 0.000 0.222 107 P C 1.016 178.462 177.300 0.243 0.000 1.147 107 P CA 0.726 63.941 63.100 0.191 0.000 0.790 107 P CB 0.289 32.046 31.700 0.095 0.000 0.780 108 A N 0.054 122.975 122.820 0.169 0.000 1.908 108 A HA -0.231 4.095 4.320 0.011 0.000 0.218 108 A C 2.279 179.952 177.584 0.149 0.000 1.181 108 A CA 2.631 54.747 52.037 0.133 0.000 0.627 108 A CB -1.951 17.103 19.000 0.090 0.000 0.818 108 A HN 0.355 nan 8.150 nan 0.000 0.445 109 T N -4.151 110.503 114.554 0.167 0.000 2.951 109 T HA -0.046 4.310 4.350 0.011 0.000 0.268 109 T C 1.020 175.814 174.700 0.157 0.000 1.073 109 T CA 0.884 63.055 62.100 0.119 0.000 1.134 109 T CB -0.358 68.540 68.868 0.050 0.000 0.884 109 T HN 0.597 nan 8.240 nan 0.000 0.479 110 R N 0.782 121.475 120.500 0.321 0.000 3.875 110 R HA -0.121 4.225 4.340 0.011 0.000 0.321 110 R C -0.680 175.733 176.300 0.188 0.000 1.196 110 R CA 0.834 57.230 56.100 0.494 0.000 0.868 110 R CB -2.299 28.252 30.300 0.418 0.000 1.333 110 R HN 0.467 nan 8.270 nan 0.000 0.522 111 D N 1.314 121.566 120.400 -0.247 0.000 2.508 111 D HA 0.031 4.678 4.640 0.011 0.000 0.224 111 D C 1.151 176.795 176.300 -1.093 0.000 1.171 111 D CA -0.055 53.620 54.000 -0.543 0.000 1.006 111 D CB 0.543 41.068 40.800 -0.459 0.000 1.073 111 D HN 0.095 nan 8.370 nan 0.000 0.513 112 L N 3.602 124.394 121.223 -0.718 0.000 2.079 112 L HA -0.205 4.141 4.340 0.011 0.000 0.210 112 L C 2.086 178.713 176.870 -0.404 0.000 1.081 112 L CA 1.846 56.299 54.840 -0.645 0.000 0.752 112 L CB -0.383 41.154 42.059 -0.870 0.000 0.896 112 L HN 0.288 nan 8.230 nan 0.000 0.433 113 Q N -1.029 118.572 119.800 -0.332 0.000 2.119 113 Q HA -0.119 4.227 4.340 0.011 0.000 0.201 113 Q C 2.108 178.009 176.000 -0.165 0.000 0.972 113 Q CA 2.059 57.747 55.803 -0.191 0.000 0.847 113 Q CB -0.357 28.296 28.738 -0.143 0.000 0.903 113 Q HN 0.422 nan 8.270 nan 0.000 0.433 114 V N 0.080 119.829 119.914 -0.275 0.000 2.358 114 V HA -0.246 3.881 4.120 0.011 0.000 0.246 114 V C 1.733 177.785 176.094 -0.070 0.000 1.047 114 V CA 1.696 63.880 62.300 -0.194 0.000 1.035 114 V CB -0.733 30.934 31.823 -0.260 0.000 0.658 114 V HN 0.362 nan 8.190 nan 0.000 0.452 115 Y N 0.892 121.174 120.300 -0.030 0.000 2.128 115 Y HA -0.191 4.365 4.550 0.010 0.000 0.284 115 Y C 2.646 178.666 175.900 0.200 0.000 1.154 115 Y CA 1.188 59.304 58.100 0.026 0.000 1.149 115 Y CB -0.977 37.475 38.460 -0.013 0.000 0.976 115 Y HN 0.154 nan 8.280 nan 0.000 0.505 116 R N 0.281 120.960 120.500 0.298 0.000 2.105 116 R HA -0.173 4.173 4.340 0.011 0.000 0.239 116 R C 2.061 178.515 176.300 0.256 0.000 1.135 116 R CA 1.648 57.931 56.100 0.305 0.000 0.967 116 R CB -0.359 29.994 30.300 0.089 0.000 0.861 116 R HN 0.493 nan 8.270 nan 0.000 0.442 117 E N -0.412 119.870 120.200 0.136 0.000 2.153 117 E HA -0.249 4.107 4.350 0.011 0.000 0.194 117 E C 1.574 178.227 176.600 0.089 0.000 0.988 117 E CA 1.150 57.600 56.400 0.084 0.000 0.811 117 E CB -0.162 29.559 29.700 0.035 0.000 0.746 117 E HN 0.400 nan 8.360 nan 0.000 0.466 118 Y N 0.445 120.720 120.300 -0.042 0.000 2.145 118 Y HA -0.267 4.289 4.550 0.010 0.000 0.286 118 Y C 1.727 177.517 175.900 -0.184 0.000 1.145 118 Y CA 1.679 59.666 58.100 -0.188 0.000 1.148 118 Y CB -0.284 37.936 38.460 -0.400 0.000 0.981 118 Y HN -0.066 nan 8.280 nan 0.000 0.507 119 F N 0.045 120.099 119.950 0.174 0.000 2.206 119 F HA -0.030 4.504 4.527 0.011 0.000 0.298 119 F C 2.614 178.458 175.800 0.075 0.000 1.090 119 F CA 0.983 59.077 58.000 0.156 0.000 1.323 119 F CB -1.200 37.913 39.000 0.187 0.000 1.028 119 F HN 0.133 nan 8.300 nan 0.000 0.492 120 A N 0.314 123.242 122.820 0.181 0.000 2.024 120 A HA -0.225 4.102 4.320 0.011 0.000 0.220 120 A C 2.195 179.820 177.584 0.068 0.000 1.164 120 A CA 1.721 53.810 52.037 0.087 0.000 0.643 120 A CB -0.611 18.420 19.000 0.051 0.000 0.806 120 A HN 0.378 nan 8.150 nan 0.000 0.451 121 K N 0.166 120.576 120.400 0.016 0.000 2.007 121 K HA -0.034 4.292 4.320 0.011 0.000 0.206 121 K C 0.607 177.212 176.600 0.009 0.000 1.047 121 K CA 0.899 57.174 56.287 -0.019 0.000 0.937 121 K CB -0.122 32.321 32.500 -0.095 0.000 0.718 121 K HN 0.424 nan 8.250 nan 0.000 0.438 122 K N 1.055 121.459 120.400 0.006 0.000 2.118 122 K HA 0.075 4.401 4.320 0.011 0.000 0.240 122 K C 0.537 177.238 176.600 0.168 0.000 1.035 122 K CA 0.047 56.348 56.287 0.023 0.000 0.899 122 K CB 0.758 33.201 32.500 -0.095 0.000 1.085 122 K HN 0.154 nan 8.250 nan 0.000 0.498 123 T N -3.171 111.396 114.554 0.022 0.000 2.927 123 T HA 0.201 4.557 4.350 0.011 0.000 0.286 123 T C 1.153 175.682 174.700 -0.284 0.000 1.040 123 T CA -0.820 61.304 62.100 0.041 0.000 1.010 123 T CB 1.513 70.390 68.868 0.015 0.000 1.177 123 T HN 0.347 nan 8.240 nan 0.000 0.546 124 S N 0.725 116.312 115.700 -0.188 0.000 2.354 124 S HA -0.133 4.344 4.470 0.011 0.000 0.219 124 S C 1.919 176.298 174.600 -0.369 0.000 1.035 124 S CA 1.808 59.742 58.200 -0.443 0.000 1.037 124 S CB -0.699 62.455 63.200 -0.077 0.000 0.956 124 S HN 0.869 nan 8.310 nan 0.000 0.428 125 E N 1.099 121.190 120.200 -0.182 0.000 2.171 125 E HA -0.176 4.180 4.350 0.011 0.000 0.197 125 E C 1.960 178.479 176.600 -0.134 0.000 0.997 125 E CA 1.181 57.506 56.400 -0.126 0.000 0.810 125 E CB -0.192 29.464 29.700 -0.073 0.000 0.738 125 E HN 0.689 nan 8.360 nan 0.000 0.467 126 E N 0.197 120.296 120.200 -0.168 0.000 2.046 126 E HA -0.245 4.111 4.350 0.011 0.000 0.190 126 E C 2.061 178.552 176.600 -0.181 0.000 0.982 126 E CA 0.955 57.268 56.400 -0.146 0.000 0.800 126 E CB 0.035 29.658 29.700 -0.129 0.000 0.756 126 E HN 0.103 nan 8.360 nan 0.000 0.449 127 Q N 0.360 119.958 119.800 -0.336 0.000 2.124 127 Q HA -0.108 4.239 4.340 0.011 0.000 0.202 127 Q C 2.047 177.937 176.000 -0.184 0.000 0.977 127 Q CA 1.524 57.137 55.803 -0.317 0.000 0.850 127 Q CB -0.157 28.150 28.738 -0.718 0.000 0.901 127 Q HN 0.224 nan 8.270 nan 0.000 0.429 128 V N 1.209 121.001 119.914 -0.203 0.000 2.287 128 V HA -0.291 3.836 4.120 0.011 0.000 0.248 128 V C 1.744 177.833 176.094 -0.008 0.000 1.053 128 V CA 2.196 64.463 62.300 -0.055 0.000 1.027 128 V CB -0.678 31.144 31.823 -0.001 0.000 0.646 128 V HN 0.442 nan 8.190 nan 0.000 0.447 129 D N -0.169 120.214 120.400 -0.027 0.000 2.092 129 D HA -0.154 4.492 4.640 0.011 0.000 0.193 129 D C 2.254 178.550 176.300 -0.006 0.000 0.994 129 D CA 2.051 56.045 54.000 -0.011 0.000 0.828 129 D CB -0.543 40.244 40.800 -0.021 0.000 0.963 129 D HN 0.403 nan 8.370 nan 0.000 0.450 130 T N 1.075 115.624 114.554 -0.009 0.000 2.652 130 T HA -0.108 4.248 4.350 0.011 0.000 0.267 130 T C 2.316 177.038 174.700 0.036 0.000 1.039 130 T CA 1.049 63.160 62.100 0.019 0.000 1.153 130 T CB -0.441 68.450 68.868 0.038 0.000 0.863 130 T HN -0.043 nan 8.240 nan 0.000 0.428 131 V N 1.688 121.627 119.914 0.043 0.000 2.287 131 V HA -0.141 3.985 4.120 0.011 0.000 0.248 131 V C 2.522 178.638 176.094 0.036 0.000 1.053 131 V CA 1.564 63.900 62.300 0.060 0.000 1.027 131 V CB -0.764 31.103 31.823 0.074 0.000 0.646 131 V HN 0.451 nan 8.190 nan 0.000 0.447 132 L N -0.692 120.540 121.223 0.015 0.000 2.187 132 L HA -0.249 4.097 4.340 0.011 0.000 0.213 132 L C 2.617 179.473 176.870 -0.022 0.000 1.100 132 L CA 1.516 56.346 54.840 -0.017 0.000 0.765 132 L CB -0.570 41.470 42.059 -0.032 0.000 0.904 132 L HN 0.426 nan 8.230 nan 0.000 0.437 133 Q N -0.131 119.666 119.800 -0.006 0.000 2.020 133 Q HA -0.126 4.220 4.340 0.011 0.000 0.198 133 Q C 2.404 178.404 176.000 0.002 0.000 0.974 133 Q CA 1.189 56.988 55.803 -0.007 0.000 0.829 133 Q CB -0.064 28.675 28.738 0.002 0.000 0.894 133 Q HN 0.478 nan 8.270 nan 0.000 0.433 134 L N -0.119 121.117 121.223 0.022 0.000 2.131 134 L HA -0.121 4.225 4.340 0.011 0.000 0.210 134 L C 2.116 179.014 176.870 0.047 0.000 1.092 134 L CA 0.912 55.775 54.840 0.038 0.000 0.759 134 L CB -0.349 41.742 42.059 0.053 0.000 0.903 134 L HN 0.182 nan 8.230 nan 0.000 0.435 135 A N -1.111 121.734 122.820 0.042 0.000 2.275 135 A HA -0.028 4.299 4.320 0.011 0.000 0.212 135 A C 0.973 178.537 177.584 -0.032 0.000 1.201 135 A CA 0.116 52.187 52.037 0.057 0.000 0.843 135 A CB -0.290 18.768 19.000 0.097 0.000 0.873 135 A HN 0.518 nan 8.150 nan 0.000 0.492 136 N N -0.637 118.028 118.700 -0.058 0.000 2.725 136 N HA -0.143 4.604 4.740 0.011 0.000 0.251 136 N C -0.839 174.554 175.510 -0.196 0.000 1.031 136 N CA 0.967 53.950 53.050 -0.113 0.000 0.720 136 N CB -1.629 36.786 38.487 -0.121 0.000 0.930 136 N HN 0.170 nan 8.380 nan 0.000 0.543 137 V N 1.205 121.011 119.914 -0.181 0.000 2.370 137 V HA 0.299 4.426 4.120 0.011 0.000 0.283 137 V C 1.475 177.473 176.094 -0.160 0.000 1.023 137 V CA 0.188 62.345 62.300 -0.239 0.000 0.857 137 V CB 1.519 33.209 31.823 -0.221 0.000 0.985 137 V HN 0.491 nan 8.190 nan 0.000 0.443 138 S N 2.185 117.802 115.700 -0.137 0.000 2.456 138 S HA 0.177 4.654 4.470 0.011 0.000 0.224 138 S C 0.350 174.918 174.600 -0.053 0.000 1.035 138 S CA 0.062 58.214 58.200 -0.079 0.000 0.940 138 S CB 0.287 63.459 63.200 -0.047 0.000 0.799 138 S HN 0.711 nan 8.310 nan 0.000 0.508 139 D N 0.562 120.945 120.400 -0.028 0.000 2.879 139 D HA 0.535 5.182 4.640 0.011 0.000 0.236 139 D C -1.644 174.633 176.300 -0.039 0.000 1.171 139 D CA -0.331 53.712 54.000 0.071 0.000 0.868 139 D CB 2.733 43.744 40.800 0.352 0.000 1.598 139 D HN 0.044 nan 8.370 nan 0.000 0.497 140 V N 1.820 121.658 119.914 -0.127 0.000 2.540 140 V HA 0.310 4.436 4.120 0.011 0.000 0.302 140 V C -0.018 176.055 176.094 -0.035 0.000 1.035 140 V CA -0.767 61.408 62.300 -0.207 0.000 0.873 140 V CB 2.145 33.645 31.823 -0.538 0.000 0.992 140 V HN 0.308 nan 8.190 nan 0.000 0.428 141 V N 6.244 126.111 119.914 -0.078 0.000 2.394 141 V HA 0.456 4.582 4.120 0.011 0.000 0.282 141 V C 0.302 176.311 176.094 -0.142 0.000 1.031 141 V CA -0.312 61.945 62.300 -0.072 0.000 0.881 141 V CB 1.375 33.072 31.823 -0.208 0.000 0.982 141 V HN 0.825 nan 8.190 nan 0.000 0.451 142 M N 2.661 122.188 119.600 -0.121 0.000 2.245 142 M HA 0.432 4.919 4.480 0.011 0.000 0.292 142 M C 0.058 176.202 176.300 -0.260 0.000 1.176 142 M CA -0.247 54.898 55.300 -0.259 0.000 1.035 142 M CB 0.947 33.392 32.600 -0.258 0.000 1.440 142 M HN 0.448 nan 8.290 nan 0.000 0.494 143 T N 1.565 115.917 114.554 -0.337 0.000 2.893 143 T HA 0.365 4.721 4.350 0.011 0.000 0.324 143 T C -0.945 173.761 174.700 0.010 0.000 1.082 143 T CA -0.704 61.307 62.100 -0.148 0.000 0.983 143 T CB -0.311 68.447 68.868 -0.183 0.000 1.005 143 T HN 0.512 nan 8.240 nan 0.000 0.475 144 N N 2.781 121.519 118.700 0.062 0.000 2.485 144 N HA 0.315 5.062 4.740 0.011 0.000 0.243 144 N C -1.137 174.402 175.510 0.048 0.000 0.987 144 N CA -0.717 52.441 53.050 0.180 0.000 0.940 144 N CB 1.002 39.594 38.487 0.174 0.000 1.122 144 N HN 0.394 nan 8.380 nan 0.000 0.509 145 D N 2.819 123.300 120.400 0.135 0.000 2.427 145 D HA 0.182 4.828 4.640 0.011 0.000 0.226 145 D C -1.640 174.611 176.300 -0.082 0.000 1.076 145 D CA -2.480 51.569 54.000 0.082 0.000 0.849 145 D CB 1.437 42.378 40.800 0.236 0.000 1.052 145 D HN 0.293 nan 8.370 nan 0.000 0.515 146 P HA -0.088 nan 4.420 nan 0.000 0.226 146 P C 1.054 178.076 177.300 -0.462 0.000 1.153 146 P CA 0.525 63.083 63.100 -0.903 0.000 0.777 146 P CB 0.009 30.494 31.700 -2.025 0.000 0.794 147 F N 0.142 120.146 119.950 0.090 0.000 2.780 147 F HA 0.081 4.614 4.527 0.011 0.000 0.299 147 F C 1.099 177.042 175.800 0.239 0.000 1.146 147 F CA 0.170 58.351 58.000 0.302 0.000 1.428 147 F CB -0.658 38.497 39.000 0.258 0.000 1.115 147 F HN -0.108 nan 8.300 nan 0.000 0.583 148 D N 0.445 121.013 120.400 0.279 0.000 2.339 148 D HA 0.039 4.686 4.640 0.011 0.000 0.241 148 D C 0.652 177.068 176.300 0.192 0.000 1.183 148 D CA -0.010 54.127 54.000 0.228 0.000 0.859 148 D CB 0.714 41.636 40.800 0.205 0.000 1.067 148 D HN 0.001 nan 8.370 nan 0.000 0.484 149 D N 2.403 122.921 120.400 0.197 0.000 2.123 149 D HA -0.176 4.470 4.640 0.011 0.000 0.196 149 D C 1.354 177.726 176.300 0.120 0.000 0.992 149 D CA 0.929 55.034 54.000 0.174 0.000 0.833 149 D CB 0.122 41.020 40.800 0.164 0.000 0.954 149 D HN 0.436 nan 8.370 nan 0.000 0.455 150 N N 0.352 119.106 118.700 0.089 0.000 2.348 150 N HA -0.175 4.572 4.740 0.011 0.000 0.185 150 N C 1.517 177.037 175.510 0.017 0.000 1.019 150 N CA 0.767 53.839 53.050 0.037 0.000 0.880 150 N CB 0.063 38.558 38.487 0.013 0.000 0.965 150 N HN 0.485 nan 8.380 nan 0.000 0.437 151 E N 0.560 120.807 120.200 0.077 0.000 2.256 151 E HA 0.049 4.405 4.350 0.011 0.000 0.198 151 E C 1.924 178.698 176.600 0.289 0.000 0.908 151 E CA -0.256 56.230 56.400 0.145 0.000 0.915 151 E CB 0.275 30.096 29.700 0.202 0.000 0.890 151 E HN 0.066 nan 8.360 nan 0.000 0.484 152 R N 0.880 121.542 120.500 0.270 0.000 2.127 152 R HA -0.130 4.217 4.340 0.011 0.000 0.238 152 R C 2.312 178.782 176.300 0.283 0.000 1.134 152 R CA 1.107 57.409 56.100 0.337 0.000 0.975 152 R CB -0.222 30.185 30.300 0.178 0.000 0.865 152 R HN 0.265 nan 8.270 nan 0.000 0.447 153 I N 0.722 121.380 120.570 0.147 0.000 2.264 153 I HA -0.238 3.938 4.170 0.011 0.000 0.248 153 I C 1.570 177.674 176.117 -0.021 0.000 1.111 153 I CA 1.577 62.915 61.300 0.062 0.000 1.382 153 I CB -0.621 37.394 38.000 0.026 0.000 1.060 153 I HN 0.192 nan 8.210 nan 0.000 0.418 154 S N -0.200 115.425 115.700 -0.125 0.000 2.383 154 S HA -0.195 4.282 4.470 0.011 0.000 0.227 154 S C 1.592 175.963 174.600 -0.382 0.000 1.026 154 S CA 1.328 59.271 58.200 -0.428 0.000 0.981 154 S CB -0.358 62.290 63.200 -0.921 0.000 0.818 154 S HN 0.533 nan 8.310 nan 0.000 0.472 155 W N 1.790 123.077 121.300 -0.022 0.000 2.379 155 W HA 0.086 4.753 4.660 0.010 0.000 0.307 155 W C 1.871 178.378 176.519 -0.020 0.000 1.200 155 W CA 0.278 57.664 57.345 0.069 0.000 1.297 155 W CB -0.582 29.077 29.460 0.333 0.000 1.140 155 W HN 0.196 nan 8.180 nan 0.000 0.507 156 L N 0.240 121.583 121.223 0.200 0.000 2.265 156 L HA -0.166 4.181 4.340 0.011 0.000 0.215 156 L C 1.701 178.569 176.870 -0.003 0.000 1.117 156 L CA 1.205 56.076 54.840 0.052 0.000 0.782 156 L CB -0.668 41.416 42.059 0.041 0.000 0.914 156 L HN 0.094 nan 8.230 nan 0.000 0.441 157 E N -0.106 120.072 120.200 -0.036 0.000 2.502 157 E HA 0.020 4.376 4.350 0.011 0.000 0.194 157 E C 1.379 177.928 176.600 -0.085 0.000 1.062 157 E CA 0.434 56.789 56.400 -0.076 0.000 0.867 157 E CB 0.152 29.777 29.700 -0.125 0.000 0.888 157 E HN 0.530 nan 8.360 nan 0.000 0.510 158 G N 2.175 110.941 108.800 -0.057 0.000 2.148 158 G HA2 -0.321 3.645 3.960 0.011 0.000 0.254 158 G HA3 -0.321 3.645 3.960 0.011 0.000 0.254 158 G C 0.087 174.931 174.900 -0.094 0.000 0.981 158 G CA 0.103 45.178 45.100 -0.041 0.000 0.670 158 G HN 0.165 nan 8.290 nan 0.000 0.528 159 K N 0.214 120.482 120.400 -0.220 0.000 2.355 159 K HA 0.376 4.702 4.320 0.011 0.000 0.270 159 K C 0.223 176.650 176.600 -0.290 0.000 1.003 159 K CA 0.272 56.351 56.287 -0.346 0.000 0.957 159 K CB 0.366 32.463 32.500 -0.671 0.000 0.939 159 K HN 0.201 nan 8.250 nan 0.000 0.482 160 Q N 2.535 122.235 119.800 -0.166 0.000 2.356 160 Q HA 0.353 4.699 4.340 0.011 0.000 0.270 160 Q C -2.385 173.649 176.000 0.057 0.000 1.058 160 Q CA -2.076 53.719 55.803 -0.015 0.000 0.802 160 Q CB 1.912 30.669 28.738 0.031 0.000 1.303 160 Q HN 0.471 nan 8.270 nan 0.000 0.444 161 P HA 0.027 nan 4.420 nan 0.000 0.274 161 P C -0.638 176.707 177.300 0.074 0.000 1.237 161 P CA -0.277 62.898 63.100 0.125 0.000 0.793 161 P CB 0.729 32.470 31.700 0.069 0.000 0.977 162 D N -0.728 119.710 120.400 0.064 0.000 2.360 162 D HA -0.003 4.644 4.640 0.011 0.000 0.242 162 D C 1.276 177.629 176.300 0.088 0.000 1.184 162 D CA -0.436 53.611 54.000 0.079 0.000 0.930 162 D CB 0.029 40.883 40.800 0.090 0.000 1.161 162 D HN 0.255 nan 8.370 nan 0.000 0.447 163 S N 0.587 116.305 115.700 0.030 0.000 2.461 163 S HA -0.288 4.188 4.470 0.011 0.000 0.246 163 S C 1.534 176.074 174.600 -0.100 0.000 1.007 163 S CA 0.774 58.951 58.200 -0.038 0.000 0.976 163 S CB -0.493 62.695 63.200 -0.019 0.000 0.763 163 S HN 0.562 nan 8.310 nan 0.000 0.508 164 R N -0.425 120.071 120.500 -0.006 0.000 2.275 164 R HA 0.308 4.655 4.340 0.011 0.000 0.199 164 R C -0.584 175.525 176.300 -0.318 0.000 0.989 164 R CA 0.274 56.309 56.100 -0.108 0.000 1.016 164 R CB 0.027 30.264 30.300 -0.105 0.000 0.918 164 R HN 0.428 nan 8.270 nan 0.000 0.473 165 F N 0.077 119.898 119.950 -0.215 0.000 2.444 165 F HA 0.311 4.844 4.527 0.011 0.000 0.342 165 F C 0.054 175.667 175.800 -0.312 0.000 1.121 165 F CA -1.096 56.802 58.000 -0.170 0.000 0.997 165 F CB 1.369 40.299 39.000 -0.117 0.000 1.130 165 F HN -0.080 nan 8.300 nan 0.000 0.454 166 H N 1.045 120.224 119.070 0.183 0.000 2.529 166 H HA 0.711 5.273 4.556 0.011 0.000 0.348 166 H C -0.396 174.995 175.328 0.105 0.000 1.152 166 H CA -0.972 55.182 56.048 0.176 0.000 1.202 166 H CB 1.475 31.378 29.762 0.235 0.000 1.562 166 H HN 0.726 nan 8.280 nan 0.000 0.515 167 A N 1.493 124.448 122.820 0.225 0.000 2.316 167 A HA 0.741 5.067 4.320 0.011 0.000 0.284 167 A C -0.410 177.130 177.584 -0.074 0.000 1.115 167 A CA -0.101 52.010 52.037 0.123 0.000 0.812 167 A CB 0.169 19.282 19.000 0.187 0.000 1.064 167 A HN 0.811 nan 8.150 nan 0.000 0.489 168 A N 1.711 124.427 122.820 -0.174 0.000 2.414 168 A HA 0.538 4.865 4.320 0.011 0.000 0.286 168 A C -0.832 176.642 177.584 -0.184 0.000 1.073 168 A CA -0.515 51.302 52.037 -0.366 0.000 0.727 168 A CB 0.708 19.311 19.000 -0.663 0.000 1.215 168 A HN 1.443 nan 8.150 nan 0.000 0.430 169 L N 2.700 123.838 121.223 -0.142 0.000 2.536 169 L HA 0.410 4.756 4.340 0.011 0.000 0.282 169 L C 0.507 177.374 176.870 -0.005 0.000 1.147 169 L CA 0.164 54.935 54.840 -0.115 0.000 0.936 169 L CB -0.305 41.681 42.059 -0.121 0.000 1.279 169 L HN 0.655 nan 8.230 nan 0.000 0.461 170 R N 4.345 124.854 120.500 0.015 0.000 2.340 170 R HA 0.383 4.729 4.340 0.011 0.000 0.300 170 R C -0.202 176.200 176.300 0.169 0.000 1.069 170 R CA 0.184 56.351 56.100 0.112 0.000 0.984 170 R CB 0.350 30.732 30.300 0.137 0.000 1.003 170 R HN 0.782 nan 8.270 nan 0.000 0.459 171 L N 3.398 124.747 121.223 0.210 0.000 3.122 171 L HA 0.258 4.604 4.340 0.011 0.000 0.274 171 L C 0.331 177.315 176.870 0.190 0.000 1.222 171 L CA -0.246 54.760 54.840 0.277 0.000 1.028 171 L CB 0.632 42.845 42.059 0.256 0.000 1.386 171 L HN 0.609 nan 8.230 nan 0.000 0.578 172 D N 1.549 122.040 120.400 0.152 0.000 2.133 172 D HA -0.186 4.460 4.640 0.011 0.000 0.192 172 D C -0.653 175.638 176.300 -0.015 0.000 1.001 172 D CA 1.723 55.777 54.000 0.090 0.000 0.844 172 D CB -1.024 39.845 40.800 0.115 0.000 0.944 172 D HN 0.233 nan 8.370 nan 0.000 0.447 173 P HA -0.107 nan 4.420 nan 0.000 0.215 173 P C 1.624 178.643 177.300 -0.468 0.000 1.153 173 P CA 0.664 63.499 63.100 -0.442 0.000 0.853 173 P CB 0.053 31.183 31.700 -0.950 0.000 0.788 174 L N -1.451 119.534 121.223 -0.397 0.000 2.027 174 L HA -0.107 4.239 4.340 0.011 0.000 0.206 174 L C 1.977 178.866 176.870 0.031 0.000 1.074 174 L CA 2.007 56.797 54.840 -0.083 0.000 0.745 174 L CB -1.324 40.855 42.059 0.200 0.000 0.898 174 L HN -0.159 nan 8.230 nan 0.000 0.433 175 L N -0.231 121.012 121.223 0.034 0.000 2.131 175 L HA -0.024 4.322 4.340 0.011 0.000 0.206 175 L C 2.059 178.954 176.870 0.042 0.000 1.087 175 L CA 1.230 56.093 54.840 0.039 0.000 0.767 175 L CB -0.949 41.163 42.059 0.089 0.000 0.917 175 L HN 0.331 nan 8.230 nan 0.000 0.441 176 N N -0.504 118.219 118.700 0.038 0.000 2.392 176 N HA 0.006 4.752 4.740 0.011 0.000 0.177 176 N C 0.284 175.809 175.510 0.025 0.000 1.066 176 N CA 0.397 53.474 53.050 0.046 0.000 0.895 176 N CB 0.292 38.814 38.487 0.058 0.000 0.988 176 N HN 0.419 nan 8.380 nan 0.000 0.457 177 E N -0.605 119.591 120.200 -0.007 0.000 3.306 177 E HA 0.077 4.434 4.350 0.011 0.000 0.197 177 E C -0.084 176.495 176.600 -0.036 0.000 0.980 177 E CA -0.276 56.107 56.400 -0.028 0.000 1.259 177 E CB 0.197 29.855 29.700 -0.069 0.000 1.112 177 E HN 0.118 nan 8.360 nan 0.000 0.458 178 Y N 2.165 122.391 120.300 -0.123 0.000 2.151 178 Y HA -0.265 4.292 4.550 0.011 0.000 0.284 178 Y C 2.030 177.847 175.900 -0.139 0.000 1.166 178 Y CA 1.776 59.794 58.100 -0.136 0.000 1.163 178 Y CB 0.335 38.718 38.460 -0.127 0.000 0.974 178 Y HN 0.081 nan 8.280 nan 0.000 0.511 179 E N 0.029 120.155 120.200 -0.123 0.000 2.273 179 E HA -0.230 4.126 4.350 0.011 0.000 0.198 179 E C 1.845 178.307 176.600 -0.230 0.000 1.002 179 E CA 1.577 57.860 56.400 -0.195 0.000 0.828 179 E CB -0.057 29.614 29.700 -0.049 0.000 0.747 179 E HN 0.670 nan 8.360 nan 0.000 0.491 180 Q N -1.529 118.168 119.800 -0.172 0.000 2.387 180 Q HA 0.103 4.450 4.340 0.011 0.000 0.212 180 Q C 2.087 177.988 176.000 -0.165 0.000 0.925 180 Q CA 0.969 56.723 55.803 -0.081 0.000 0.901 180 Q CB -0.124 28.591 28.738 -0.038 0.000 1.020 180 Q HN 0.059 nan 8.270 nan 0.000 0.545 181 T N 2.138 116.545 114.554 -0.246 0.000 2.915 181 T HA -0.150 4.206 4.350 0.011 0.000 0.269 181 T C 1.529 176.031 174.700 -0.329 0.000 1.071 181 T CA 1.491 63.432 62.100 -0.264 0.000 1.132 181 T CB -0.177 68.499 68.868 -0.320 0.000 0.878 181 T HN 0.413 nan 8.240 nan 0.000 0.479 182 K N 0.946 120.976 120.400 -0.617 0.000 2.103 182 K HA -0.213 4.114 4.320 0.011 0.000 0.207 182 K C 1.835 178.177 176.600 -0.430 0.000 1.048 182 K CA 1.628 57.496 56.287 -0.698 0.000 0.930 182 K CB -0.507 31.302 32.500 -1.150 0.000 0.716 182 K HN 0.388 nan 8.250 nan 0.000 0.444 183 H N 1.108 120.038 119.070 -0.232 0.000 2.423 183 H HA 0.053 4.616 4.556 0.011 0.000 0.297 183 H C 2.089 177.285 175.328 -0.220 0.000 1.075 183 H CA 1.169 57.112 56.048 -0.174 0.000 1.342 183 H CB -0.016 29.658 29.762 -0.147 0.000 1.395 183 H HN 0.330 nan 8.280 nan 0.000 0.530 184 R N 0.270 120.644 120.500 -0.209 0.000 2.115 184 R HA 0.007 4.354 4.340 0.011 0.000 0.226 184 R C 2.493 178.391 176.300 -0.670 0.000 1.100 184 R CA 0.449 56.230 56.100 -0.531 0.000 0.980 184 R CB -0.076 29.872 30.300 -0.587 0.000 0.875 184 R HN 0.232 nan 8.270 nan 0.000 0.445 185 L N 0.325 121.405 121.223 -0.238 0.000 2.046 185 L HA -0.158 4.188 4.340 0.011 0.000 0.208 185 L C 2.570 179.584 176.870 0.239 0.000 1.077 185 L CA 1.456 56.389 54.840 0.155 0.000 0.747 185 L CB -0.468 41.659 42.059 0.113 0.000 0.896 185 L HN 0.174 nan 8.230 nan 0.000 0.432 186 R N 0.184 120.729 120.500 0.076 0.000 2.083 186 R HA -0.177 4.169 4.340 0.011 0.000 0.237 186 R C 1.896 178.235 176.300 0.065 0.000 1.137 186 R CA 1.738 57.891 56.100 0.089 0.000 0.951 186 R CB -0.392 29.943 30.300 0.058 0.000 0.851 186 R HN 0.395 nan 8.270 nan 0.000 0.434 187 D N -0.693 119.685 120.400 -0.037 0.000 2.263 187 D HA -0.184 4.462 4.640 0.011 0.000 0.208 187 D C 1.205 177.568 176.300 0.106 0.000 0.971 187 D CA 0.864 54.839 54.000 -0.042 0.000 0.867 187 D CB -0.044 40.650 40.800 -0.177 0.000 0.929 187 D HN 0.373 nan 8.370 nan 0.000 0.492 188 W N 0.201 121.599 121.300 0.164 0.000 3.290 188 W HA 0.313 4.980 4.660 0.010 0.000 0.287 188 W C 1.433 177.917 176.519 -0.058 0.000 1.288 188 W CA 0.532 57.970 57.345 0.156 0.000 1.725 188 W CB -0.242 29.458 29.460 0.400 0.000 1.103 188 W HN 0.078 nan 8.180 nan 0.000 0.670 189 G N -0.380 108.492 108.800 0.120 0.000 2.159 189 G HA2 -0.302 3.665 3.960 0.011 0.000 0.227 189 G HA3 -0.302 3.665 3.960 0.011 0.000 0.227 189 G C -0.413 174.385 174.900 -0.170 0.000 0.986 189 G CA -0.438 44.618 45.100 -0.073 0.000 0.651 189 G HN 0.193 nan 8.290 nan 0.000 0.523 190 Y N 1.528 121.959 120.300 0.218 0.000 2.595 190 Y HA 0.446 5.002 4.550 0.011 0.000 0.347 190 Y C 1.191 177.170 175.900 0.132 0.000 1.025 190 Y CA -0.609 57.610 58.100 0.198 0.000 1.295 190 Y CB 0.727 39.355 38.460 0.280 0.000 1.147 190 Y HN 0.076 nan 8.280 nan 0.000 0.515 191 K N 2.885 123.397 120.400 0.186 0.000 2.307 191 K HA 0.094 4.421 4.320 0.011 0.000 0.219 191 K C -0.154 176.520 176.600 0.124 0.000 1.220 191 K CA -0.231 56.130 56.287 0.124 0.000 1.208 191 K CB -0.628 31.918 32.500 0.078 0.000 1.270 191 K HN 0.437 nan 8.250 nan 0.000 0.225 192 V N -0.844 119.158 119.914 0.146 0.000 2.583 192 V HA 0.219 4.346 4.120 0.011 0.000 0.287 192 V C 0.268 176.424 176.094 0.105 0.000 1.051 192 V CA -1.034 61.351 62.300 0.142 0.000 1.010 192 V CB 0.951 32.905 31.823 0.219 0.000 0.988 192 V HN 0.305 nan 8.190 nan 0.000 0.478 193 N N 2.783 121.542 118.700 0.099 0.000 2.447 193 N HA 0.266 5.013 4.740 0.011 0.000 0.271 193 N C 0.584 176.163 175.510 0.116 0.000 1.226 193 N CA -0.482 52.620 53.050 0.085 0.000 0.980 193 N CB 0.921 39.443 38.487 0.058 0.000 1.206 193 N HN 0.733 nan 8.380 nan 0.000 0.558 194 D N 0.275 120.731 120.400 0.094 0.000 2.117 194 D HA -0.121 4.526 4.640 0.011 0.000 0.197 194 D C 0.471 176.859 176.300 0.147 0.000 0.987 194 D CA 1.470 55.530 54.000 0.100 0.000 0.829 194 D CB 0.260 41.107 40.800 0.078 0.000 0.961 194 D HN 0.661 nan 8.370 nan 0.000 0.460 195 E N -0.644 119.644 120.200 0.146 0.000 2.250 195 E HA 0.110 4.466 4.350 0.011 0.000 0.265 195 E C -0.371 176.390 176.600 0.268 0.000 1.033 195 E CA -0.939 55.574 56.400 0.188 0.000 0.888 195 E CB 1.067 30.844 29.700 0.128 0.000 1.151 195 E HN 0.086 nan 8.360 nan 0.000 0.412 196 W N 3.997 125.329 121.300 0.054 0.000 2.290 196 W HA 0.085 4.751 4.660 0.011 0.000 0.408 196 W C -1.071 175.468 176.519 0.033 0.000 0.966 196 W CA -0.397 56.973 57.345 0.041 0.000 1.579 196 W CB 0.088 29.556 29.460 0.014 0.000 1.662 196 W HN 0.683 nan 8.180 nan 0.000 0.341 197 N N 0.841 119.405 118.700 -0.227 0.000 2.890 197 N HA 0.149 4.896 4.740 0.011 0.000 0.317 197 N C 0.694 175.999 175.510 -0.341 0.000 1.355 197 N CA -0.538 52.384 53.050 -0.213 0.000 0.803 197 N CB 0.300 38.739 38.487 -0.080 0.000 1.465 197 N HN 0.086 nan 8.380 nan 0.000 0.591 198 E N -0.371 119.707 120.200 -0.202 0.000 2.086 198 E HA -0.141 4.216 4.350 0.011 0.000 0.200 198 E C 1.725 178.216 176.600 -0.183 0.000 1.012 198 E CA 2.365 58.659 56.400 -0.176 0.000 0.812 198 E CB -0.988 28.659 29.700 -0.089 0.000 0.743 198 E HN 0.755 nan 8.360 nan 0.000 0.453 199 G N -0.724 107.994 108.800 -0.138 0.000 2.433 199 G HA2 -0.276 3.691 3.960 0.011 0.000 0.216 199 G HA3 -0.276 3.691 3.960 0.011 0.000 0.216 199 G C 1.841 176.665 174.900 -0.127 0.000 1.186 199 G CA 1.113 46.158 45.100 -0.091 0.000 0.779 199 G HN 0.343 nan 8.290 nan 0.000 0.543 200 S N 0.673 116.241 115.700 -0.219 0.000 2.359 200 S HA -0.099 4.377 4.470 0.011 0.000 0.224 200 S C 2.288 176.620 174.600 -0.447 0.000 1.035 200 S CA 1.151 59.193 58.200 -0.263 0.000 1.018 200 S CB -0.292 62.712 63.200 -0.327 0.000 0.876 200 S HN 0.385 nan 8.310 nan 0.000 0.448 201 I N 1.654 121.771 120.570 -0.755 0.000 2.118 201 I HA -0.252 3.925 4.170 0.011 0.000 0.241 201 I C 2.782 178.798 176.117 -0.169 0.000 1.070 201 I CA 1.223 62.186 61.300 -0.561 0.000 1.327 201 I CB -0.436 37.278 38.000 -0.476 0.000 1.034 201 I HN 0.272 nan 8.210 nan 0.000 0.405 202 Q N 0.440 120.169 119.800 -0.118 0.000 2.084 202 Q HA -0.200 4.147 4.340 0.011 0.000 0.202 202 Q C 2.136 178.175 176.000 0.065 0.000 0.978 202 Q CA 1.373 57.169 55.803 -0.011 0.000 0.844 202 Q CB -0.364 28.370 28.738 -0.008 0.000 0.898 202 Q HN 0.523 nan 8.270 nan 0.000 0.426 203 E N 0.116 120.366 120.200 0.084 0.000 2.072 203 E HA -0.082 4.274 4.350 0.011 0.000 0.191 203 E C 2.256 178.996 176.600 0.234 0.000 0.985 203 E CA 0.611 57.141 56.400 0.217 0.000 0.801 203 E CB -0.150 29.690 29.700 0.234 0.000 0.750 203 E HN 0.132 nan 8.360 nan 0.000 0.452 204 V N 1.720 121.736 119.914 0.170 0.000 2.343 204 V HA -0.244 3.883 4.120 0.011 0.000 0.247 204 V C 2.228 178.445 176.094 0.205 0.000 1.051 204 V CA 1.721 64.145 62.300 0.207 0.000 1.036 204 V CB -0.381 31.600 31.823 0.263 0.000 0.654 204 V HN 0.218 nan 8.190 nan 0.000 0.451 205 K N -0.407 120.077 120.400 0.140 0.000 2.097 205 K HA -0.139 4.187 4.320 0.011 0.000 0.206 205 K C 2.441 179.101 176.600 0.099 0.000 1.049 205 K CA 1.024 57.372 56.287 0.102 0.000 0.933 205 K CB -0.221 32.322 32.500 0.070 0.000 0.717 205 K HN 0.242 nan 8.250 nan 0.000 0.442 206 R N 0.306 120.894 120.500 0.146 0.000 2.092 206 R HA -0.115 4.231 4.340 0.011 0.000 0.231 206 R C 2.197 178.585 176.300 0.147 0.000 1.119 206 R CA 1.201 57.410 56.100 0.181 0.000 0.970 206 R CB -0.297 30.182 30.300 0.299 0.000 0.864 206 R HN 0.182 nan 8.270 nan 0.000 0.440 207 F N 1.550 121.406 119.950 -0.157 0.000 2.069 207 F HA -0.217 4.317 4.527 0.011 0.000 0.298 207 F C 1.980 177.731 175.800 -0.081 0.000 1.113 207 F CA 1.533 59.238 58.000 -0.491 0.000 1.214 207 F CB -0.452 38.203 39.000 -0.575 0.000 0.978 207 F HN -0.069 nan 8.300 nan 0.000 0.474 208 L N -0.474 120.741 121.223 -0.013 0.000 2.012 208 L HA -0.252 4.094 4.340 0.011 0.000 0.210 208 L C 2.377 179.145 176.870 -0.169 0.000 1.073 208 L CA 1.946 56.729 54.840 -0.095 0.000 0.748 208 L CB -1.352 40.705 42.059 -0.003 0.000 0.891 208 L HN 0.164 nan 8.230 nan 0.000 0.431 209 T N -1.057 113.417 114.554 -0.133 0.000 2.746 209 T HA -0.172 4.184 4.350 0.011 0.000 0.267 209 T C 1.479 176.091 174.700 -0.147 0.000 1.039 209 T CA 1.408 63.417 62.100 -0.152 0.000 1.142 209 T CB -0.259 68.583 68.868 -0.042 0.000 0.866 209 T HN 0.307 nan 8.240 nan 0.000 0.444 210 D N 0.130 120.429 120.400 -0.167 0.000 2.123 210 D HA -0.083 4.563 4.640 0.011 0.000 0.196 210 D C 1.703 177.737 176.300 -0.444 0.000 0.992 210 D CA 0.987 54.825 54.000 -0.271 0.000 0.833 210 D CB -0.279 40.369 40.800 -0.253 0.000 0.954 210 D HN 0.560 nan 8.370 nan 0.000 0.455 211 W N 0.838 121.889 121.300 -0.414 0.000 2.436 211 W HA 0.107 4.774 4.660 0.011 0.000 0.284 211 W C 2.348 178.644 176.519 -0.372 0.000 1.225 211 W CA -0.026 57.034 57.345 -0.475 0.000 1.271 211 W CB -0.221 28.837 29.460 -0.669 0.000 1.114 211 W HN -0.082 nan 8.180 nan 0.000 0.559 212 I N 0.061 120.562 120.570 -0.116 0.000 2.315 212 I HA -0.276 3.900 4.170 0.011 0.000 0.248 212 I C 2.431 178.499 176.117 -0.082 0.000 1.117 212 I CA 1.523 62.751 61.300 -0.120 0.000 1.404 212 I CB -0.483 37.390 38.000 -0.211 0.000 1.071 212 I HN 0.045 nan 8.210 nan 0.000 0.419 213 E N 0.949 121.090 120.200 -0.097 0.000 2.106 213 E HA -0.222 4.135 4.350 0.011 0.000 0.192 213 E C 2.420 178.976 176.600 -0.073 0.000 0.984 213 E CA 0.861 57.223 56.400 -0.063 0.000 0.806 213 E CB 0.138 29.792 29.700 -0.077 0.000 0.750 213 E HN 0.248 nan 8.360 nan 0.000 0.458 214 R N -0.121 120.290 120.500 -0.149 0.000 2.062 214 R HA 0.005 4.351 4.340 0.011 0.000 0.229 214 R C 2.252 178.544 176.300 -0.014 0.000 1.128 214 R CA 1.391 57.422 56.100 -0.116 0.000 0.960 214 R CB -0.185 29.921 30.300 -0.324 0.000 0.855 214 R HN 0.335 nan 8.270 nan 0.000 0.432 215 M N -0.539 118.969 119.600 -0.154 0.000 2.435 215 M HA -0.007 4.479 4.480 0.011 0.000 0.265 215 M C -0.013 176.303 176.300 0.026 0.000 1.104 215 M CA 0.358 55.536 55.300 -0.203 0.000 1.140 215 M CB 0.017 32.317 32.600 -0.501 0.000 1.372 215 M HN -0.026 nan 8.290 nan 0.000 0.456 216 D N 1.450 121.856 120.400 0.011 0.000 2.697 216 D HA -0.089 4.557 4.640 0.011 0.000 0.238 216 D C -2.293 174.044 176.300 0.062 0.000 1.152 216 D CA 0.084 54.117 54.000 0.054 0.000 0.666 216 D CB -0.333 40.525 40.800 0.097 0.000 1.037 216 D HN 0.194 nan 8.370 nan 0.000 0.423 217 P HA 0.051 nan 4.420 nan 0.000 0.271 217 P C 1.391 178.689 177.300 -0.002 0.000 1.218 217 P CA -0.137 62.947 63.100 -0.027 0.000 0.780 217 P CB 1.332 32.975 31.700 -0.095 0.000 0.901 218 V N -0.185 119.710 119.914 -0.033 0.000 3.041 218 V HA 0.048 4.174 4.120 0.011 0.000 0.260 218 V C 0.442 176.571 176.094 0.058 0.000 1.105 218 V CA 0.967 63.278 62.300 0.018 0.000 1.125 218 V CB -1.931 29.930 31.823 0.064 0.000 0.730 218 V HN 0.678 nan 8.190 nan 0.000 0.479 219 Y N -3.607 116.704 120.300 0.018 0.000 2.732 219 Y HA 0.720 5.276 4.550 0.010 0.000 0.342 219 Y C -1.143 174.764 175.900 0.012 0.000 1.203 219 Y CA -2.476 55.624 58.100 -0.000 0.000 1.092 219 Y CB 0.594 39.052 38.460 -0.003 0.000 1.345 219 Y HN -0.043 nan 8.280 nan 0.000 0.458 220 M N 2.424 122.230 119.600 0.343 0.000 2.423 220 M HA 0.856 5.342 4.480 0.011 0.000 0.335 220 M C -0.396 176.173 176.300 0.449 0.000 1.177 220 M CA -0.706 54.760 55.300 0.276 0.000 1.038 220 M CB 1.972 34.662 32.600 0.150 0.000 1.641 220 M HN 0.952 nan 8.290 nan 0.000 0.455 221 A N 2.008 125.032 122.820 0.339 0.000 2.527 221 A HA 0.949 5.275 4.320 0.011 0.000 0.293 221 A C -1.648 176.045 177.584 0.182 0.000 1.117 221 A CA -0.749 51.422 52.037 0.224 0.000 0.723 221 A CB 2.147 21.268 19.000 0.202 0.000 1.313 221 A HN 0.655 nan 8.150 nan 0.000 0.411 222 V N 0.607 120.541 119.914 0.032 0.000 3.000 222 V HA 0.660 4.787 4.120 0.011 0.000 0.300 222 V C -0.634 175.414 176.094 -0.077 0.000 1.251 222 V CA 0.182 62.508 62.300 0.044 0.000 0.972 222 V CB 2.468 34.374 31.823 0.138 0.000 1.065 222 V HN 1.781 nan 8.190 nan 0.000 0.431 223 S N 6.759 122.468 115.700 0.015 0.000 2.525 223 S HA 0.895 5.371 4.470 0.011 0.000 0.290 223 S C -0.881 173.751 174.600 0.054 0.000 1.152 223 S CA -0.647 57.586 58.200 0.056 0.000 1.072 223 S CB 1.429 64.790 63.200 0.269 0.000 1.027 223 S HN 0.733 nan 8.310 nan 0.000 0.500 224 L N 2.723 123.959 121.223 0.021 0.000 2.333 224 L HA 0.673 5.019 4.340 0.011 0.000 0.263 224 L C -2.355 174.573 176.870 0.096 0.000 1.014 224 L CA -2.706 52.128 54.840 -0.010 0.000 0.820 224 L CB 2.574 44.442 42.059 -0.318 0.000 1.352 224 L HN 0.499 nan 8.230 nan 0.000 0.421 225 P HA 0.219 nan 4.420 nan 0.000 0.276 225 P C -2.485 174.893 177.300 0.130 0.000 1.252 225 P CA -1.636 61.538 63.100 0.123 0.000 0.802 225 P CB 0.597 32.369 31.700 0.120 0.000 1.035 226 P HA -0.108 nan 4.420 nan 0.000 0.219 226 P C 1.280 178.630 177.300 0.083 0.000 1.146 226 P CA 1.928 65.059 63.100 0.053 0.000 0.808 226 P CB -0.579 31.112 31.700 -0.014 0.000 0.779 227 T N -4.979 109.630 114.554 0.091 0.000 3.194 227 T HA 0.034 4.391 4.350 0.011 0.000 0.251 227 T C 0.376 175.139 174.700 0.105 0.000 1.132 227 T CA -0.474 61.670 62.100 0.074 0.000 1.028 227 T CB -1.223 67.676 68.868 0.050 0.000 0.976 227 T HN -0.121 nan 8.240 nan 0.000 0.535 228 F N 3.540 123.507 119.950 0.028 0.000 2.593 228 F HA 0.351 4.884 4.527 0.011 0.000 0.393 228 F C -0.065 175.762 175.800 0.046 0.000 1.037 228 F CA -0.328 57.699 58.000 0.044 0.000 1.195 228 F CB -0.017 39.013 39.000 0.050 0.000 1.034 228 F HN 0.046 nan 8.300 nan 0.000 0.552 229 S N 6.502 121.769 115.700 -0.722 0.000 2.570 229 S HA 0.760 5.236 4.470 0.011 0.000 0.286 229 S C -1.634 172.541 174.600 -0.708 0.000 1.099 229 S CA -0.571 57.262 58.200 -0.611 0.000 0.913 229 S CB 1.959 64.983 63.200 -0.293 0.000 1.085 229 S HN 0.569 nan 8.310 nan 0.000 0.480 230 F N 2.070 121.652 119.950 -0.614 0.000 2.639 230 F HA 0.467 5.000 4.527 0.011 0.000 0.320 230 F C -2.978 172.551 175.800 -0.451 0.000 1.128 230 F CA -1.362 56.376 58.000 -0.437 0.000 1.037 230 F CB 1.233 40.040 39.000 -0.321 0.000 1.288 230 F HN 0.357 nan 8.300 nan 0.000 0.463 231 P HA 0.275 nan 4.420 nan 0.000 0.271 231 P C -1.625 175.243 177.300 -0.721 0.000 1.244 231 P CA 0.022 62.337 63.100 -1.308 0.000 0.793 231 P CB 0.621 31.811 31.700 -0.850 0.000 0.984 232 E N 0.157 119.991 120.200 -0.611 0.000 2.388 232 E HA 0.093 4.449 4.350 0.011 0.000 0.289 232 E C -1.109 175.332 176.600 -0.265 0.000 0.944 232 E CA -0.422 55.772 56.400 -0.343 0.000 0.792 232 E CB 0.903 30.443 29.700 -0.267 0.000 1.239 232 E HN 0.204 nan 8.360 nan 0.000 0.412 233 E N 2.373 122.456 120.200 -0.194 0.000 1.892 233 E HA 0.185 4.541 4.350 0.011 0.000 0.271 233 E C -0.856 175.660 176.600 -0.140 0.000 1.146 233 E CA 0.090 56.396 56.400 -0.157 0.000 1.096 233 E CB 0.394 30.027 29.700 -0.111 0.000 1.155 233 E HN 0.470 nan 8.360 nan 0.000 0.458 234 S N 0.489 116.088 115.700 -0.169 0.000 2.651 234 S HA 0.385 4.861 4.470 0.011 0.000 0.279 234 S C 0.851 175.311 174.600 -0.234 0.000 1.148 234 S CA -0.865 57.247 58.200 -0.146 0.000 0.837 234 S CB 1.227 64.370 63.200 -0.095 0.000 1.138 234 S HN 0.068 nan 8.310 nan 0.000 0.478 235 N N 1.100 119.666 118.700 -0.223 0.000 2.104 235 N HA -0.130 4.617 4.740 0.011 0.000 0.190 235 N C 1.748 177.024 175.510 -0.390 0.000 1.024 235 N CA 1.523 54.335 53.050 -0.396 0.000 0.853 235 N CB -0.631 37.736 38.487 -0.201 0.000 1.008 235 N HN 0.717 nan 8.380 nan 0.000 0.424 236 R N 0.535 120.935 120.500 -0.167 0.000 2.081 236 R HA -0.082 4.264 4.340 0.011 0.000 0.235 236 R C 2.238 178.533 176.300 -0.008 0.000 1.131 236 R CA 1.705 57.775 56.100 -0.049 0.000 0.960 236 R CB -0.575 29.779 30.300 0.089 0.000 0.856 236 R HN 0.226 nan 8.270 nan 0.000 0.436 237 G N 0.350 109.122 108.800 -0.046 0.000 2.418 237 G HA2 -0.249 3.717 3.960 0.011 0.000 0.217 237 G HA3 -0.249 3.717 3.960 0.011 0.000 0.217 237 G C 1.398 176.251 174.900 -0.078 0.000 1.158 237 G CA 0.610 45.687 45.100 -0.038 0.000 0.771 237 G HN 0.316 nan 8.290 nan 0.000 0.545 238 R N -0.231 120.102 120.500 -0.279 0.000 2.073 238 R HA 0.141 4.488 4.340 0.011 0.000 0.229 238 R C 2.586 178.743 176.300 -0.239 0.000 1.120 238 R CA 0.818 56.703 56.100 -0.357 0.000 0.967 238 R CB -0.344 29.405 30.300 -0.917 0.000 0.862 238 R HN 0.366 nan 8.270 nan 0.000 0.436 239 I N 0.800 121.135 120.570 -0.392 0.000 2.179 239 I HA -0.288 3.888 4.170 0.011 0.000 0.242 239 I C 2.318 178.432 176.117 -0.004 0.000 1.088 239 I CA 1.415 62.612 61.300 -0.172 0.000 1.357 239 I CB -0.256 37.580 38.000 -0.273 0.000 1.051 239 I HN 0.123 nan 8.210 nan 0.000 0.409 240 I N 0.297 120.877 120.570 0.018 0.000 2.179 240 I HA -0.322 3.854 4.170 0.011 0.000 0.242 240 I C 2.845 178.988 176.117 0.045 0.000 1.088 240 I CA 1.418 62.724 61.300 0.011 0.000 1.357 240 I CB -0.439 37.658 38.000 0.162 0.000 1.051 240 I HN 0.227 nan 8.210 nan 0.000 0.409 241 R N 0.919 121.556 120.500 0.229 0.000 2.062 241 R HA -0.174 4.172 4.340 0.011 0.000 0.231 241 R C 1.655 178.071 176.300 0.193 0.000 1.136 241 R CA 2.047 58.306 56.100 0.264 0.000 0.948 241 R CB -0.098 30.395 30.300 0.321 0.000 0.845 241 R HN 0.305 nan 8.270 nan 0.000 0.430 242 D N -0.928 119.610 120.400 0.229 0.000 2.305 242 D HA -0.008 4.639 4.640 0.011 0.000 0.206 242 D C 1.449 177.858 176.300 0.183 0.000 0.974 242 D CA 0.616 54.764 54.000 0.247 0.000 0.871 242 D CB 0.304 41.347 40.800 0.405 0.000 0.947 242 D HN 0.315 nan 8.370 nan 0.000 0.516 243 C N -0.253 119.142 119.300 0.158 0.000 2.503 243 C HA 0.194 4.660 4.460 0.011 0.000 0.344 243 C C 2.356 177.346 174.990 0.000 0.000 1.610 243 C CA -0.420 58.659 59.018 0.101 0.000 2.351 243 C CB -0.431 27.409 27.740 0.167 0.000 2.044 243 C HN 0.201 nan 8.230 nan 0.000 0.680 244 L N 1.760 122.939 121.223 -0.073 0.000 1.970 244 L HA -0.106 4.241 4.340 0.011 0.000 0.212 244 L C 2.245 178.957 176.870 -0.263 0.000 1.071 244 L CA 2.173 56.881 54.840 -0.221 0.000 0.751 244 L CB -1.278 40.536 42.059 -0.409 0.000 0.889 244 L HN 0.416 nan 8.230 nan 0.000 0.432 245 L N -0.273 120.789 121.223 -0.269 0.000 2.012 245 L HA -0.190 4.157 4.340 0.011 0.000 0.210 245 L C -0.016 176.786 176.870 -0.115 0.000 1.073 245 L CA 1.390 56.072 54.840 -0.264 0.000 0.748 245 L CB -2.012 39.815 42.059 -0.386 0.000 0.891 245 L HN 0.231 nan 8.230 nan 0.000 0.431 246 P HA -0.131 nan 4.420 nan 0.000 0.215 246 P C 1.969 179.284 177.300 0.026 0.000 1.153 246 P CA 1.153 64.269 63.100 0.028 0.000 0.853 246 P CB 0.078 31.812 31.700 0.056 0.000 0.788 247 V N 0.044 119.958 119.914 -0.001 0.000 2.358 247 V HA -0.235 3.892 4.120 0.011 0.000 0.246 247 V C 2.440 178.538 176.094 0.006 0.000 1.047 247 V CA 2.192 64.498 62.300 0.009 0.000 1.035 247 V CB -1.717 30.058 31.823 -0.080 0.000 0.658 247 V HN 0.093 nan 8.190 nan 0.000 0.452 248 A N -0.375 122.397 122.820 -0.080 0.000 1.902 248 A HA -0.274 4.052 4.320 0.011 0.000 0.217 248 A C 2.292 179.851 177.584 -0.042 0.000 1.181 248 A CA 2.034 54.015 52.037 -0.093 0.000 0.623 248 A CB -0.472 18.414 19.000 -0.191 0.000 0.818 248 A HN 0.637 nan 8.150 nan 0.000 0.443 249 E N -0.120 120.059 120.200 -0.035 0.000 2.028 249 E HA -0.243 4.114 4.350 0.011 0.000 0.191 249 E C 2.104 178.714 176.600 0.018 0.000 0.988 249 E CA 1.477 57.868 56.400 -0.015 0.000 0.799 249 E CB -0.189 29.519 29.700 0.013 0.000 0.755 249 E HN 0.591 nan 8.360 nan 0.000 0.447 250 K N -0.503 119.935 120.400 0.063 0.000 2.074 250 K HA -0.203 4.124 4.320 0.011 0.000 0.209 250 K C 1.347 177.931 176.600 -0.028 0.000 1.048 250 K CA 1.868 58.179 56.287 0.041 0.000 0.926 250 K CB -0.118 32.439 32.500 0.095 0.000 0.713 250 K HN 0.262 nan 8.250 nan 0.000 0.444 251 H N -0.418 118.627 119.070 -0.042 0.000 2.529 251 H HA 0.163 4.726 4.556 0.011 0.000 0.277 251 H C -0.173 175.122 175.328 -0.055 0.000 1.004 251 H CA 0.354 56.377 56.048 -0.042 0.000 1.167 251 H CB -0.101 29.638 29.762 -0.038 0.000 1.445 251 H HN 0.349 nan 8.280 nan 0.000 0.554 252 N N 0.810 119.524 118.700 0.025 0.000 2.716 252 N HA -0.192 4.555 4.740 0.011 0.000 0.250 252 N C -0.956 174.518 175.510 -0.060 0.000 1.033 252 N CA -0.123 52.900 53.050 -0.044 0.000 0.727 252 N CB -0.778 37.674 38.487 -0.059 0.000 0.950 252 N HN 0.326 nan 8.380 nan 0.000 0.541 253 I N 0.643 121.190 120.570 -0.038 0.000 2.359 253 I HA 0.385 4.561 4.170 0.011 0.000 0.294 253 I C -2.036 174.034 176.117 -0.077 0.000 0.987 253 I CA -2.089 59.187 61.300 -0.039 0.000 1.225 253 I CB 1.548 39.546 38.000 -0.004 0.000 1.366 253 I HN -0.035 nan 8.210 nan 0.000 0.466 254 P HA 0.080 nan 4.420 nan 0.000 0.272 254 P C -0.994 176.341 177.300 0.058 0.000 1.240 254 P CA -0.162 62.892 63.100 -0.077 0.000 0.791 254 P CB 0.482 32.161 31.700 -0.035 0.000 0.978 255 F N 1.613 121.432 119.950 -0.220 0.000 2.427 255 F HA 0.637 5.171 4.527 0.011 0.000 0.348 255 F C -0.716 175.030 175.800 -0.090 0.000 1.125 255 F CA -1.705 56.202 58.000 -0.155 0.000 0.989 255 F CB 0.278 39.134 39.000 -0.239 0.000 1.165 255 F HN 0.274 nan 8.300 nan 0.000 0.442 256 A N 8.044 130.690 122.820 -0.290 0.000 2.274 256 A HA 0.717 5.043 4.320 0.011 0.000 0.309 256 A C -0.673 176.512 177.584 -0.664 0.000 1.226 256 A CA -0.558 51.179 52.037 -0.500 0.000 0.853 256 A CB 0.259 18.822 19.000 -0.728 0.000 1.146 256 A HN 0.800 nan 8.150 nan 0.000 0.518 257 M N 3.458 122.710 119.600 -0.580 0.000 2.190 257 M HA 0.409 4.895 4.480 0.011 0.000 0.312 257 M C -0.804 175.231 176.300 -0.442 0.000 0.990 257 M CA 0.216 55.160 55.300 -0.593 0.000 0.927 257 M CB 1.791 34.008 32.600 -0.639 0.000 1.571 257 M HN 0.601 nan 8.290 nan 0.000 0.427 258 M N 5.440 124.769 119.600 -0.453 0.000 2.060 258 M HA 0.506 4.992 4.480 0.011 0.000 0.342 258 M C -1.022 175.169 176.300 -0.181 0.000 1.031 258 M CA -0.293 54.644 55.300 -0.605 0.000 0.981 258 M CB 0.495 32.418 32.600 -1.129 0.000 1.376 258 M HN 0.610 nan 8.290 nan 0.000 0.397 259 I N 1.386 121.934 120.570 -0.037 0.000 2.385 259 I HA 0.619 4.795 4.170 0.011 0.000 0.294 259 I C 1.056 177.318 176.117 0.242 0.000 0.988 259 I CA -0.025 61.322 61.300 0.078 0.000 1.265 259 I CB 1.710 39.695 38.000 -0.025 0.000 1.388 259 I HN 0.977 nan 8.210 nan 0.000 0.480 260 G N 3.876 112.780 108.800 0.172 0.000 2.260 260 G HA2 -0.185 3.781 3.960 0.011 0.000 0.179 260 G HA3 -0.185 3.781 3.960 0.011 0.000 0.179 260 G C -0.169 174.718 174.900 -0.022 0.000 1.002 260 G CA -0.208 44.934 45.100 0.070 0.000 0.677 260 G HN 0.508 nan 8.290 nan 0.000 0.486 261 V N 1.515 121.469 119.914 0.068 0.000 2.461 261 V HA 0.664 4.790 4.120 0.011 0.000 0.275 261 V C 0.392 176.501 176.094 0.024 0.000 1.047 261 V CA -0.134 62.156 62.300 -0.017 0.000 0.955 261 V CB 1.357 33.282 31.823 0.169 0.000 0.988 261 V HN 0.274 nan 8.190 nan 0.000 0.471 262 K N 6.669 127.053 120.400 -0.026 0.000 2.347 262 K HA 0.365 4.691 4.320 0.011 0.000 0.262 262 K C -0.252 176.407 176.600 0.098 0.000 1.052 262 K CA -0.709 55.605 56.287 0.046 0.000 0.946 262 K CB 0.377 32.909 32.500 0.052 0.000 1.220 262 K HN 0.568 nan 8.250 nan 0.000 0.450 263 K N 3.170 123.639 120.400 0.116 0.000 2.382 263 K HA 0.059 4.385 4.320 0.011 0.000 0.275 263 K C -0.006 176.665 176.600 0.118 0.000 1.009 263 K CA -0.026 56.342 56.287 0.135 0.000 0.970 263 K CB 0.521 33.102 32.500 0.134 0.000 0.934 263 K HN 0.577 nan 8.250 nan 0.000 0.479 264 R N 0.486 121.061 120.500 0.125 0.000 3.158 264 R HA -0.139 4.208 4.340 0.011 0.000 0.244 264 R C 0.997 177.358 176.300 0.102 0.000 0.900 264 R CA 0.797 56.964 56.100 0.112 0.000 0.618 264 R CB -2.738 27.618 30.300 0.093 0.000 1.061 264 R HN 0.643 nan 8.270 nan 0.000 0.471 265 V N -3.266 116.709 119.914 0.102 0.000 3.041 265 V HA -0.026 4.101 4.120 0.011 0.000 0.260 265 V C 1.099 177.226 176.094 0.055 0.000 1.105 265 V CA 1.669 63.998 62.300 0.049 0.000 1.125 265 V CB -0.294 31.525 31.823 -0.008 0.000 0.730 265 V HN 0.577 nan 8.190 nan 0.000 0.479 266 H N 1.204 120.272 119.070 -0.004 0.000 2.488 266 H HA 0.363 4.924 4.556 0.010 0.000 0.237 266 H C -1.862 173.494 175.328 0.047 0.000 1.395 266 H CA -1.771 54.279 56.048 0.003 0.000 1.491 266 H CB 1.824 31.575 29.762 -0.018 0.000 1.567 266 H HN 0.140 nan 8.280 nan 0.000 0.508 267 P HA -0.252 nan 4.420 nan 0.000 0.217 267 P C 1.416 178.788 177.300 0.120 0.000 1.151 267 P CA 1.658 64.839 63.100 0.136 0.000 0.849 267 P CB 0.258 32.023 31.700 0.108 0.000 0.787 268 A N 0.004 122.921 122.820 0.163 0.000 1.978 268 A HA -0.122 4.205 4.320 0.011 0.000 0.220 268 A C 2.330 180.023 177.584 0.181 0.000 1.170 268 A CA 1.166 53.292 52.037 0.149 0.000 0.636 268 A CB -1.512 17.589 19.000 0.169 0.000 0.810 268 A HN 0.183 nan 8.150 nan 0.000 0.448 269 L N -1.200 119.993 121.223 -0.051 0.000 2.610 269 L HA 0.102 4.449 4.340 0.011 0.000 0.232 269 L C 1.863 178.900 176.870 0.279 0.000 1.149 269 L CA 0.294 55.179 54.840 0.076 0.000 0.872 269 L CB -1.051 40.910 42.059 -0.164 0.000 0.992 269 L HN 0.662 nan 8.230 nan 0.000 0.447 270 G N 0.897 109.786 108.800 0.149 0.000 2.591 270 G HA2 -0.394 3.573 3.960 0.011 0.000 0.298 270 G HA3 -0.394 3.573 3.960 0.011 0.000 0.298 270 G C 0.483 175.408 174.900 0.041 0.000 1.195 270 G CA 0.418 45.544 45.100 0.043 0.000 0.989 270 G HN 0.290 nan 8.290 nan 0.000 0.551 271 D N 1.425 121.828 120.400 0.005 0.000 2.350 271 D HA 0.222 4.869 4.640 0.011 0.000 0.216 271 D C 2.255 178.343 176.300 -0.354 0.000 0.968 271 D CA 1.402 55.309 54.000 -0.154 0.000 0.894 271 D CB -0.365 40.329 40.800 -0.177 0.000 0.909 271 D HN 0.809 nan 8.370 nan 0.000 0.520 272 A N 0.073 122.861 122.820 -0.054 0.000 2.345 272 A HA 0.374 4.700 4.320 0.011 0.000 0.225 272 A C 1.815 179.462 177.584 0.104 0.000 1.243 272 A CA 0.307 52.381 52.037 0.063 0.000 0.875 272 A CB 0.126 19.239 19.000 0.189 0.000 0.929 272 A HN 0.175 nan 8.150 nan 0.000 0.502 273 G N -0.472 108.382 108.800 0.091 0.000 3.434 273 G HA2 0.279 4.246 3.960 0.011 0.000 0.258 273 G HA3 0.279 4.246 3.960 0.011 0.000 0.258 273 G C -0.507 174.484 174.900 0.152 0.000 1.128 273 G CA -0.185 44.985 45.100 0.116 0.000 0.792 273 G HN 0.282 nan 8.290 nan 0.000 0.539 274 D N 0.047 120.567 120.400 0.200 0.000 2.225 274 D HA 0.502 5.148 4.640 0.011 0.000 0.249 274 D C -0.739 175.658 176.300 0.163 0.000 1.052 274 D CA -0.275 53.840 54.000 0.193 0.000 0.909 274 D CB 2.136 43.108 40.800 0.286 0.000 1.186 274 D HN -0.004 nan 8.370 nan 0.000 0.431 275 F N 0.932 120.809 119.950 -0.123 0.000 2.746 275 F HA 0.638 5.172 4.527 0.012 0.000 0.378 275 F C -0.929 174.702 175.800 -0.280 0.000 1.165 275 F CA -1.203 56.644 58.000 -0.255 0.000 1.089 275 F CB 1.092 39.976 39.000 -0.193 0.000 1.439 275 F HN 0.090 nan 8.300 nan 0.000 0.516 276 V N 0.430 119.577 119.914 -1.279 0.000 3.040 276 V HA 0.947 5.074 4.120 0.011 0.000 0.312 276 V C -0.921 174.601 176.094 -0.954 0.000 1.115 276 V CA -0.016 61.733 62.300 -0.918 0.000 0.998 276 V CB 1.789 33.174 31.823 -0.730 0.000 1.042 276 V HN 1.133 nan 8.190 nan 0.000 0.433 277 G N 2.702 111.218 108.800 -0.474 0.000 2.720 277 G HA2 0.441 4.407 3.960 0.011 0.000 0.295 277 G HA3 0.441 4.407 3.960 0.011 0.000 0.295 277 G C -1.691 173.106 174.900 -0.170 0.000 1.437 277 G CA -0.820 44.094 45.100 -0.310 0.000 0.886 277 G HN 0.870 nan 8.290 nan 0.000 0.509 278 K N 0.585 120.911 120.400 -0.122 0.000 2.298 278 K HA 0.603 4.929 4.320 0.011 0.000 0.280 278 K C 0.347 176.931 176.600 -0.026 0.000 1.032 278 K CA -0.202 56.045 56.287 -0.065 0.000 0.958 278 K CB 0.884 33.352 32.500 -0.054 0.000 0.978 278 K HN 0.637 nan 8.250 nan 0.000 0.472 279 A N 2.551 125.374 122.820 0.005 0.000 2.281 279 A HA 0.354 4.680 4.320 0.011 0.000 0.329 279 A C -0.493 177.113 177.584 0.037 0.000 1.122 279 A CA -0.630 51.432 52.037 0.040 0.000 0.850 279 A CB 1.376 20.428 19.000 0.088 0.000 1.207 279 A HN 0.732 nan 8.150 nan 0.000 0.495 280 S N 0.105 115.831 115.700 0.043 0.000 2.584 280 S HA 0.349 4.826 4.470 0.011 0.000 0.273 280 S C 0.847 175.476 174.600 0.049 0.000 1.311 280 S CA -0.522 57.696 58.200 0.030 0.000 1.034 280 S CB 0.237 63.442 63.200 0.009 0.000 0.939 280 S HN 0.496 nan 8.310 nan 0.000 0.513 281 M N 2.513 122.137 119.600 0.040 0.000 2.541 281 M HA 0.094 4.581 4.480 0.011 0.000 0.252 281 M C 0.905 177.235 176.300 0.050 0.000 1.125 281 M CA 0.428 55.757 55.300 0.048 0.000 1.091 281 M CB -1.524 31.100 32.600 0.040 0.000 1.420 281 M HN 0.610 nan 8.290 nan 0.000 0.486 282 D N 1.139 121.561 120.400 0.038 0.000 2.133 282 D HA -0.158 4.488 4.640 0.011 0.000 0.192 282 D C 2.071 178.403 176.300 0.054 0.000 1.001 282 D CA 1.922 55.945 54.000 0.038 0.000 0.844 282 D CB -0.565 40.240 40.800 0.008 0.000 0.944 282 D HN 0.442 nan 8.370 nan 0.000 0.447 283 G N 0.274 109.086 108.800 0.020 0.000 2.421 283 G HA2 -0.201 3.765 3.960 0.011 0.000 0.216 283 G HA3 -0.201 3.765 3.960 0.011 0.000 0.216 283 G C 1.840 176.810 174.900 0.117 0.000 1.171 283 G CA 0.975 46.094 45.100 0.032 0.000 0.775 283 G HN 0.276 nan 8.290 nan 0.000 0.543 284 V N 0.682 120.653 119.914 0.095 0.000 2.358 284 V HA -0.152 3.975 4.120 0.011 0.000 0.246 284 V C 2.551 178.557 176.094 -0.146 0.000 1.047 284 V CA 2.117 64.393 62.300 -0.040 0.000 1.035 284 V CB -0.386 31.420 31.823 -0.028 0.000 0.658 284 V HN 0.547 nan 8.190 nan 0.000 0.452 285 E N 0.072 120.244 120.200 -0.046 0.000 2.058 285 E HA -0.334 4.023 4.350 0.011 0.000 0.194 285 E C 2.205 178.716 176.600 -0.148 0.000 0.997 285 E CA 2.072 58.433 56.400 -0.066 0.000 0.801 285 E CB -0.216 29.526 29.700 0.070 0.000 0.746 285 E HN 0.812 nan 8.360 nan 0.000 0.450 286 H N 0.248 119.272 119.070 -0.078 0.000 2.290 286 H HA -0.112 4.451 4.556 0.011 0.000 0.298 286 H C 2.256 177.560 175.328 -0.039 0.000 1.087 286 H CA 2.116 58.158 56.048 -0.010 0.000 1.291 286 H CB -0.221 29.620 29.762 0.132 0.000 1.369 286 H HN 0.129 nan 8.280 nan 0.000 0.492 287 L N -0.170 121.076 121.223 0.037 0.000 2.012 287 L HA -0.229 4.117 4.340 0.011 0.000 0.210 287 L C 2.635 179.293 176.870 -0.352 0.000 1.073 287 L CA 1.367 56.130 54.840 -0.127 0.000 0.748 287 L CB -0.493 41.233 42.059 -0.554 0.000 0.891 287 L HN 0.355 nan 8.230 nan 0.000 0.431 288 L N -0.720 120.096 121.223 -0.678 0.000 2.012 288 L HA -0.251 4.095 4.340 0.011 0.000 0.210 288 L C 2.855 179.306 176.870 -0.699 0.000 1.073 288 L CA 1.450 55.839 54.840 -0.752 0.000 0.748 288 L CB -0.519 40.888 42.059 -1.086 0.000 0.891 288 L HN 0.278 nan 8.230 nan 0.000 0.431 289 R N 0.048 120.059 120.500 -0.815 0.000 2.057 289 R HA -0.128 4.218 4.340 0.011 0.000 0.229 289 R C 2.019 178.175 176.300 -0.239 0.000 1.136 289 R CA 1.239 57.091 56.100 -0.412 0.000 0.952 289 R CB 0.029 30.203 30.300 -0.209 0.000 0.848 289 R HN 0.231 nan 8.270 nan 0.000 0.430 290 E N -0.236 119.749 120.200 -0.359 0.000 2.427 290 E HA -0.106 4.251 4.350 0.011 0.000 0.196 290 E C -0.203 176.028 176.600 -0.616 0.000 1.028 290 E CA 0.722 56.829 56.400 -0.489 0.000 0.864 290 E CB 0.233 29.488 29.700 -0.741 0.000 0.813 290 E HN 0.451 nan 8.360 nan 0.000 0.514 291 Y N 0.498 120.799 120.300 0.002 0.000 2.511 291 Y HA 0.204 4.761 4.550 0.011 0.000 0.356 291 Y C -1.597 174.388 175.900 0.141 0.000 1.002 291 Y CA -2.052 56.116 58.100 0.113 0.000 1.127 291 Y CB 1.189 39.791 38.460 0.237 0.000 1.137 291 Y HN -0.045 nan 8.280 nan 0.000 0.652 292 P HA -0.134 nan 4.420 nan 0.000 0.225 292 P C 0.079 177.460 177.300 0.135 0.000 1.148 292 P CA 1.409 64.593 63.100 0.141 0.000 0.779 292 P CB 0.392 32.145 31.700 0.089 0.000 0.780 293 N N -0.982 117.793 118.700 0.124 0.000 2.336 293 N HA 0.036 4.782 4.740 0.011 0.000 0.189 293 N C 0.040 175.570 175.510 0.033 0.000 1.113 293 N CA -0.198 52.895 53.050 0.072 0.000 0.858 293 N CB -0.149 38.375 38.487 0.062 0.000 0.970 293 N HN 0.202 nan 8.380 nan 0.000 0.471 294 N N 0.562 119.300 118.700 0.063 0.000 2.417 294 N HA 0.268 5.014 4.740 0.011 0.000 0.300 294 N C -0.981 174.389 175.510 -0.233 0.000 1.102 294 N CA -0.396 52.563 53.050 -0.152 0.000 0.886 294 N CB 1.379 39.705 38.487 -0.268 0.000 1.203 294 N HN -0.082 nan 8.380 nan 0.000 0.496 295 K N 1.238 121.392 120.400 -0.409 0.000 2.164 295 K HA 0.502 4.829 4.320 0.011 0.000 0.258 295 K C -1.188 175.211 176.600 -0.335 0.000 0.951 295 K CA -0.443 55.697 56.287 -0.246 0.000 0.844 295 K CB 1.333 33.521 32.500 -0.521 0.000 1.099 295 K HN 0.360 nan 8.250 nan 0.000 0.435 296 F N 2.179 122.314 119.950 0.309 0.000 2.547 296 F HA 0.399 4.932 4.527 0.011 0.000 0.316 296 F C -0.414 175.469 175.800 0.139 0.000 1.121 296 F CA -0.912 57.189 58.000 0.167 0.000 0.911 296 F CB 1.246 40.278 39.000 0.053 0.000 1.179 296 F HN 0.107 nan 8.300 nan 0.000 0.443 297 L N 4.247 125.563 121.223 0.155 0.000 2.296 297 L HA 0.784 5.131 4.340 0.011 0.000 0.286 297 L C -0.898 176.017 176.870 0.075 0.000 1.023 297 L CA -0.784 54.079 54.840 0.037 0.000 0.812 297 L CB 1.680 43.609 42.059 -0.216 0.000 1.223 297 L HN 0.373 nan 8.230 nan 0.000 0.421 298 V N 1.884 121.842 119.914 0.072 0.000 2.789 298 V HA 0.638 4.764 4.120 0.011 0.000 0.311 298 V C -0.385 175.404 176.094 -0.509 0.000 1.073 298 V CA -0.506 61.699 62.300 -0.158 0.000 0.921 298 V CB 2.322 34.058 31.823 -0.145 0.000 1.009 298 V HN 0.740 nan 8.190 nan 0.000 0.426 299 T N 5.076 119.226 114.554 -0.675 0.000 2.933 299 T HA 0.723 5.080 4.350 0.011 0.000 0.305 299 T C -1.093 173.443 174.700 -0.274 0.000 1.092 299 T CA -0.393 61.268 62.100 -0.731 0.000 1.008 299 T CB 1.249 69.294 68.868 -1.373 0.000 1.102 299 T HN 0.557 nan 8.240 nan 0.000 0.469 300 M N 4.323 123.905 119.600 -0.030 0.000 2.535 300 M HA 0.457 4.944 4.480 0.011 0.000 0.314 300 M C 0.193 176.669 176.300 0.293 0.000 1.153 300 M CA -0.876 54.514 55.300 0.150 0.000 0.924 300 M CB 2.236 34.859 32.600 0.039 0.000 1.710 300 M HN 0.493 nan 8.290 nan 0.000 0.451 301 L N 0.841 122.234 121.223 0.284 0.000 2.209 301 L HA 0.180 4.526 4.340 0.011 0.000 0.207 301 L C 0.993 177.844 176.870 -0.032 0.000 1.094 301 L CA 1.325 56.189 54.840 0.039 0.000 0.790 301 L CB 0.147 42.060 42.059 -0.243 0.000 0.932 301 L HN 0.704 nan 8.230 nan 0.000 0.447 302 S N -0.637 115.040 115.700 -0.037 0.000 2.523 302 S HA 0.095 4.572 4.470 0.011 0.000 0.275 302 S C 1.453 176.033 174.600 -0.035 0.000 1.281 302 S CA -0.425 57.730 58.200 -0.074 0.000 1.050 302 S CB 0.695 63.842 63.200 -0.087 0.000 0.937 302 S HN 0.369 nan 8.310 nan 0.000 0.492 303 R N 2.637 123.111 120.500 -0.043 0.000 2.127 303 R HA -0.103 4.243 4.340 0.011 0.000 0.238 303 R C 0.876 177.167 176.300 -0.016 0.000 1.134 303 R CA 1.812 57.900 56.100 -0.020 0.000 0.975 303 R CB -0.159 30.125 30.300 -0.027 0.000 0.865 303 R HN 0.650 nan 8.270 nan 0.000 0.447 304 E N -0.239 119.943 120.200 -0.030 0.000 2.478 304 E HA -0.055 4.301 4.350 0.011 0.000 0.198 304 E C 0.738 177.336 176.600 -0.002 0.000 1.046 304 E CA 0.779 57.167 56.400 -0.020 0.000 0.870 304 E CB 0.007 29.686 29.700 -0.035 0.000 0.818 304 E HN 0.487 nan 8.360 nan 0.000 0.527 305 N N -0.655 118.044 118.700 -0.002 0.000 2.322 305 N HA -0.030 4.716 4.740 0.011 0.000 0.181 305 N C 1.239 176.752 175.510 0.005 0.000 1.088 305 N CA -0.127 52.926 53.050 0.006 0.000 0.885 305 N CB 0.364 38.853 38.487 0.003 0.000 1.013 305 N HN -0.028 nan 8.380 nan 0.000 0.472 306 Q N 0.517 120.320 119.800 0.006 0.000 2.030 306 Q HA -0.225 4.121 4.340 0.011 0.000 0.204 306 Q C 1.811 177.798 176.000 -0.021 0.000 0.986 306 Q CA 1.463 57.259 55.803 -0.011 0.000 0.843 306 Q CB -0.842 27.895 28.738 -0.003 0.000 0.904 306 Q HN 0.583 nan 8.270 nan 0.000 0.420 307 H N 1.571 120.608 119.070 -0.054 0.000 2.321 307 H HA -0.117 4.446 4.556 0.011 0.000 0.300 307 H C 1.815 177.110 175.328 -0.054 0.000 1.087 307 H CA 1.898 57.910 56.048 -0.060 0.000 1.319 307 H CB 0.301 30.033 29.762 -0.050 0.000 1.379 307 H HN 0.512 nan 8.280 nan 0.000 0.501 308 E N 0.537 120.743 120.200 0.011 0.000 2.204 308 E HA -0.146 4.210 4.350 0.011 0.000 0.195 308 E C 2.426 178.973 176.600 -0.088 0.000 0.990 308 E CA 0.906 57.288 56.400 -0.031 0.000 0.821 308 E CB -0.456 29.275 29.700 0.052 0.000 0.750 308 E HN 0.344 nan 8.360 nan 0.000 0.477 309 L N 1.497 122.670 121.223 -0.083 0.000 2.083 309 L HA -0.124 4.223 4.340 0.011 0.000 0.209 309 L C 2.292 179.087 176.870 -0.126 0.000 1.083 309 L CA 1.250 56.040 54.840 -0.083 0.000 0.752 309 L CB -0.259 41.751 42.059 -0.082 0.000 0.899 309 L HN 0.015 nan 8.230 nan 0.000 0.433 310 V N -1.110 118.685 119.914 -0.199 0.000 2.343 310 V HA -0.262 3.864 4.120 0.011 0.000 0.247 310 V C 2.501 178.463 176.094 -0.220 0.000 1.051 310 V CA 1.658 63.812 62.300 -0.242 0.000 1.036 310 V CB -0.530 31.098 31.823 -0.325 0.000 0.654 310 V HN 0.355 nan 8.190 nan 0.000 0.451 311 V N -0.349 119.407 119.914 -0.262 0.000 2.407 311 V HA -0.218 3.908 4.120 0.011 0.000 0.248 311 V C 2.342 178.375 176.094 -0.101 0.000 1.055 311 V CA 1.799 63.985 62.300 -0.190 0.000 1.049 311 V CB -0.570 31.146 31.823 -0.179 0.000 0.662 311 V HN 0.488 nan 8.190 nan 0.000 0.455 312 L N 0.933 122.122 121.223 -0.057 0.000 2.093 312 L HA -0.018 4.329 4.340 0.011 0.000 0.208 312 L C 2.447 179.350 176.870 0.055 0.000 1.085 312 L CA 2.147 57.008 54.840 0.036 0.000 0.755 312 L CB -0.909 41.192 42.059 0.071 0.000 0.904 312 L HN 0.226 nan 8.230 nan 0.000 0.435 313 A N -0.601 122.216 122.820 -0.005 0.000 1.972 313 A HA -0.205 4.121 4.320 0.011 0.000 0.219 313 A C 2.388 179.960 177.584 -0.021 0.000 1.169 313 A CA 1.547 53.587 52.037 0.005 0.000 0.635 313 A CB -0.524 18.449 19.000 -0.044 0.000 0.810 313 A HN 0.487 nan 8.150 nan 0.000 0.446 314 R N -0.514 119.943 120.500 -0.072 0.000 2.148 314 R HA -0.070 4.276 4.340 0.011 0.000 0.227 314 R C 1.653 177.869 176.300 -0.141 0.000 1.103 314 R CA 1.200 57.245 56.100 -0.092 0.000 0.983 314 R CB -0.074 30.162 30.300 -0.105 0.000 0.874 314 R HN 0.337 nan 8.270 nan 0.000 0.451 315 K N -0.232 120.041 120.400 -0.212 0.000 2.137 315 K HA 0.049 4.375 4.320 0.011 0.000 0.202 315 K C 0.112 176.276 176.600 -0.728 0.000 1.052 315 K CA 0.829 56.804 56.287 -0.520 0.000 0.961 315 K CB 0.299 32.360 32.500 -0.732 0.000 0.741 315 K HN 0.014 nan 8.250 nan 0.000 0.452 316 F N 0.789 120.745 119.950 0.010 0.000 2.499 316 F HA 0.139 4.672 4.527 0.011 0.000 0.333 316 F C 1.201 177.043 175.800 0.069 0.000 1.138 316 F CA -0.872 57.152 58.000 0.040 0.000 0.945 316 F CB 1.765 40.789 39.000 0.039 0.000 1.181 316 F HN -0.133 nan 8.300 nan 0.000 0.435 317 S N 0.315 116.159 115.700 0.241 0.000 2.481 317 S HA -0.161 4.316 4.470 0.011 0.000 0.231 317 S C 1.240 176.024 174.600 0.307 0.000 0.996 317 S CA 0.911 59.238 58.200 0.211 0.000 0.942 317 S CB -0.448 62.846 63.200 0.157 0.000 0.768 317 S HN 0.705 nan 8.310 nan 0.000 0.520 318 N N 1.260 120.171 118.700 0.351 0.000 2.370 318 N HA 0.103 4.850 4.740 0.011 0.000 0.198 318 N C -0.076 175.755 175.510 0.535 0.000 1.156 318 N CA -0.181 53.122 53.050 0.421 0.000 0.839 318 N CB -0.296 38.398 38.487 0.345 0.000 0.989 318 N HN 0.488 nan 8.380 nan 0.000 0.468 319 L N 0.593 122.036 121.223 0.367 0.000 2.313 319 L HA 0.623 4.969 4.340 0.011 0.000 0.283 319 L C -1.012 175.841 176.870 -0.028 0.000 1.013 319 L CA -0.775 54.197 54.840 0.219 0.000 0.816 319 L CB 1.706 43.860 42.059 0.158 0.000 1.236 319 L HN 0.030 nan 8.230 nan 0.000 0.419 320 M N 7.214 126.637 119.600 -0.295 0.000 2.134 320 M HA 0.543 5.029 4.480 0.011 0.000 0.310 320 M C -1.139 175.051 176.300 -0.184 0.000 0.966 320 M CA -0.810 54.183 55.300 -0.511 0.000 0.922 320 M CB 1.169 32.904 32.600 -1.442 0.000 1.537 320 M HN 0.539 nan 8.290 nan 0.000 0.424 321 I N 2.703 123.235 120.570 -0.062 0.000 2.499 321 I HA 0.834 5.010 4.170 0.011 0.000 0.296 321 I C -1.209 174.974 176.117 0.111 0.000 0.992 321 I CA -0.724 60.564 61.300 -0.020 0.000 1.297 321 I CB 1.087 39.042 38.000 -0.075 0.000 1.410 321 I HN 0.769 nan 8.210 nan 0.000 0.507 322 F N 2.522 122.441 119.950 -0.053 0.000 2.613 322 F HA 0.913 5.447 4.527 0.010 0.000 0.310 322 F C 0.194 176.052 175.800 0.098 0.000 1.085 322 F CA -0.453 57.552 58.000 0.007 0.000 0.945 322 F CB 0.738 39.686 39.000 -0.086 0.000 1.298 322 F HN 1.040 nan 8.300 nan 0.000 0.455 323 G N 0.317 109.313 108.800 0.326 0.000 2.960 323 G HA2 -0.191 3.776 3.960 0.011 0.000 0.267 323 G HA3 -0.191 3.776 3.960 0.011 0.000 0.267 323 G C -1.007 173.971 174.900 0.130 0.000 1.492 323 G CA -0.412 44.882 45.100 0.324 0.000 0.953 323 G HN 1.331 nan 8.290 nan 0.000 0.555 324 C N 0.302 119.654 119.300 0.086 0.000 2.357 324 C HA 0.389 4.855 4.460 0.011 0.000 0.300 324 C C 0.249 175.344 174.990 0.175 0.000 1.074 324 C CA -0.768 58.311 59.018 0.102 0.000 1.566 324 C CB -0.774 27.002 27.740 0.060 0.000 1.791 324 C HN 0.628 nan 8.230 nan 0.000 0.415 325 W N 4.431 125.779 121.300 0.081 0.000 2.303 325 W HA 0.361 5.028 4.660 0.011 0.000 0.318 325 W C 0.773 177.453 176.519 0.269 0.000 1.362 325 W CA 0.236 57.706 57.345 0.207 0.000 1.234 325 W CB 0.073 29.674 29.460 0.235 0.000 1.248 325 W HN 0.839 nan 8.180 nan 0.000 0.546 326 W N 4.103 125.373 121.300 -0.049 0.000 2.440 326 W HA -0.454 4.212 4.660 0.010 0.000 0.307 326 W C 1.408 177.719 176.519 -0.346 0.000 1.765 326 W CA 2.150 59.247 57.345 -0.413 0.000 1.844 326 W CB -2.162 26.573 29.460 -1.208 0.000 0.921 326 W HN 0.373 nan 8.180 nan 0.000 0.464 327 F N 0.897 120.850 119.950 0.005 0.000 2.641 327 F HA -0.110 4.423 4.527 0.010 0.000 0.298 327 F C 2.351 178.135 175.800 -0.026 0.000 1.146 327 F CA 1.614 59.543 58.000 -0.119 0.000 1.464 327 F CB -0.794 37.995 39.000 -0.351 0.000 1.101 327 F HN -0.148 nan 8.300 nan 0.000 0.585 328 M N -1.239 118.447 119.600 0.143 0.000 2.509 328 M HA 0.069 4.555 4.480 0.011 0.000 0.250 328 M C 0.745 177.125 176.300 0.132 0.000 1.132 328 M CA 0.484 55.859 55.300 0.125 0.000 1.080 328 M CB -0.786 31.890 32.600 0.126 0.000 1.408 328 M HN -0.053 nan 8.290 nan 0.000 0.484 329 N N 2.834 121.632 118.700 0.164 0.000 3.243 329 N HA 0.070 4.817 4.740 0.011 0.000 0.310 329 N C -1.183 174.440 175.510 0.188 0.000 1.313 329 N CA 0.160 53.302 53.050 0.154 0.000 1.204 329 N CB -0.165 38.420 38.487 0.162 0.000 1.483 329 N HN 0.174 nan 8.380 nan 0.000 0.553 330 N N 0.017 118.809 118.700 0.154 0.000 2.225 330 N HA 0.255 5.001 4.740 0.011 0.000 0.298 330 N C -2.005 173.571 175.510 0.111 0.000 1.076 330 N CA -1.300 51.838 53.050 0.148 0.000 0.792 330 N CB 2.270 40.836 38.487 0.132 0.000 1.498 330 N HN -0.028 nan 8.380 nan 0.000 0.474 331 P HA -0.242 nan 4.420 nan 0.000 0.217 331 P C 1.203 178.540 177.300 0.061 0.000 1.162 331 P CA 1.642 64.789 63.100 0.078 0.000 0.901 331 P CB 0.512 32.245 31.700 0.057 0.000 0.793 332 E N -0.684 119.547 120.200 0.051 0.000 2.085 332 E HA -0.186 4.171 4.350 0.011 0.000 0.194 332 E C 1.831 178.454 176.600 0.039 0.000 0.994 332 E CA 1.451 57.874 56.400 0.038 0.000 0.801 332 E CB -0.874 28.844 29.700 0.029 0.000 0.743 332 E HN 0.075 nan 8.360 nan 0.000 0.453 333 I N 0.298 120.897 120.570 0.048 0.000 2.333 333 I HA -0.136 4.041 4.170 0.011 0.000 0.246 333 I C 2.457 178.604 176.117 0.050 0.000 1.106 333 I CA 0.804 62.131 61.300 0.046 0.000 1.411 333 I CB -1.037 36.997 38.000 0.056 0.000 1.082 333 I HN 0.180 nan 8.210 nan 0.000 0.420 334 I N 1.378 121.986 120.570 0.064 0.000 2.194 334 I HA -0.365 3.812 4.170 0.011 0.000 0.246 334 I C 2.409 178.564 176.117 0.063 0.000 1.093 334 I CA 1.793 63.134 61.300 0.068 0.000 1.355 334 I CB -0.495 37.553 38.000 0.080 0.000 1.046 334 I HN 0.322 nan 8.210 nan 0.000 0.413 335 N N 1.153 119.887 118.700 0.057 0.000 2.039 335 N HA -0.273 4.474 4.740 0.011 0.000 0.193 335 N C 1.852 177.383 175.510 0.035 0.000 1.044 335 N CA 2.068 55.148 53.050 0.050 0.000 0.847 335 N CB -0.204 38.309 38.487 0.044 0.000 1.030 335 N HN 0.505 nan 8.380 nan 0.000 0.422 336 E N -0.133 120.083 120.200 0.026 0.000 2.110 336 E HA -0.231 4.125 4.350 0.011 0.000 0.193 336 E C 2.027 178.629 176.600 0.003 0.000 0.988 336 E CA 1.190 57.599 56.400 0.014 0.000 0.804 336 E CB -0.384 29.323 29.700 0.012 0.000 0.745 336 E HN 0.452 nan 8.360 nan 0.000 0.458 337 M N 0.880 120.483 119.600 0.006 0.000 2.099 337 M HA -0.096 4.390 4.480 0.011 0.000 0.262 337 M C 2.293 178.560 176.300 -0.055 0.000 1.067 337 M CA 2.053 57.340 55.300 -0.022 0.000 1.124 337 M CB -0.259 32.341 32.600 -0.001 0.000 1.353 337 M HN 0.164 nan 8.290 nan 0.000 0.410 338 T N -0.062 114.497 114.554 0.008 0.000 2.821 338 T HA -0.098 4.259 4.350 0.011 0.000 0.267 338 T C 1.835 176.536 174.700 0.002 0.000 1.046 338 T CA 1.135 63.266 62.100 0.051 0.000 1.139 338 T CB -0.221 68.724 68.868 0.129 0.000 0.871 338 T HN 0.353 nan 8.240 nan 0.000 0.454 339 R N 0.444 120.942 120.500 -0.004 0.000 2.075 339 R HA 0.136 4.483 4.340 0.011 0.000 0.232 339 R C 2.621 178.886 176.300 -0.059 0.000 1.126 339 R CA 1.195 57.286 56.100 -0.015 0.000 0.963 339 R CB -0.277 30.023 30.300 0.001 0.000 0.858 339 R HN 0.376 nan 8.270 nan 0.000 0.435 340 M N -0.198 119.358 119.600 -0.073 0.000 2.117 340 M HA -0.163 4.323 4.480 0.011 0.000 0.262 340 M C 2.212 178.389 176.300 -0.205 0.000 1.065 340 M CA 1.711 56.957 55.300 -0.089 0.000 1.114 340 M CB -0.255 32.317 32.600 -0.047 0.000 1.361 340 M HN 0.088 nan 8.290 nan 0.000 0.408 341 R N -0.080 120.213 120.500 -0.345 0.000 2.073 341 R HA -0.108 4.238 4.340 0.011 0.000 0.234 341 R C 2.231 178.176 176.300 -0.592 0.000 1.134 341 R CA 1.614 57.297 56.100 -0.693 0.000 0.952 341 R CB -0.362 29.136 30.300 -1.336 0.000 0.850 341 R HN 0.361 nan 8.270 nan 0.000 0.433 342 M N 0.803 120.228 119.600 -0.291 0.000 2.175 342 M HA -0.142 4.344 4.480 0.011 0.000 0.264 342 M C 1.548 177.820 176.300 -0.046 0.000 1.063 342 M CA 1.683 56.989 55.300 0.010 0.000 1.119 342 M CB 0.179 32.845 32.600 0.109 0.000 1.377 342 M HN 0.070 nan 8.290 nan 0.000 0.415 343 E N -0.222 119.931 120.200 -0.078 0.000 2.153 343 E HA -0.178 4.179 4.350 0.011 0.000 0.194 343 E C 1.679 178.236 176.600 -0.073 0.000 0.988 343 E CA 1.419 57.781 56.400 -0.063 0.000 0.811 343 E CB 0.001 29.671 29.700 -0.049 0.000 0.746 343 E HN 0.580 nan 8.360 nan 0.000 0.466 344 M N -0.588 118.947 119.600 -0.108 0.000 2.414 344 M HA 0.140 4.626 4.480 0.011 0.000 0.251 344 M C 1.016 177.256 176.300 -0.100 0.000 1.116 344 M CA 0.335 55.570 55.300 -0.108 0.000 1.056 344 M CB 0.862 33.377 32.600 -0.143 0.000 1.388 344 M HN 0.048 nan 8.290 nan 0.000 0.487 345 L N -1.606 119.559 121.223 -0.096 0.000 3.086 345 L HA 0.415 4.761 4.340 0.011 0.000 0.274 345 L C 1.258 178.168 176.870 0.065 0.000 1.184 345 L CA -0.013 54.810 54.840 -0.028 0.000 1.002 345 L CB 0.321 42.347 42.059 -0.055 0.000 1.383 345 L HN 0.426 nan 8.230 nan 0.000 0.582 346 G N 1.967 110.800 108.800 0.055 0.000 2.565 346 G HA2 -0.423 3.543 3.960 0.011 0.000 0.295 346 G HA3 -0.423 3.543 3.960 0.011 0.000 0.295 346 G C 0.728 175.733 174.900 0.175 0.000 1.165 346 G CA 0.774 45.913 45.100 0.066 0.000 0.977 346 G HN 0.318 nan 8.290 nan 0.000 0.546 347 T N -2.123 112.489 114.554 0.097 0.000 3.129 347 T HA 0.505 4.862 4.350 0.011 0.000 0.267 347 T C 1.370 176.069 174.700 -0.001 0.000 1.018 347 T CA 1.158 63.261 62.100 0.005 0.000 0.903 347 T CB 0.106 68.948 68.868 -0.042 0.000 1.067 347 T HN 1.656 nan 8.240 nan 0.000 0.549 348 S N 1.633 117.419 115.700 0.143 0.000 3.122 348 S HA 0.518 4.995 4.470 0.011 0.000 0.249 348 S C -0.084 174.636 174.600 0.199 0.000 1.334 348 S CA -1.095 57.174 58.200 0.114 0.000 1.251 348 S CB -1.560 61.694 63.200 0.091 0.000 1.034 348 S HN 0.690 nan 8.310 nan 0.000 0.478 349 F N -2.138 117.778 119.950 -0.058 0.000 2.745 349 F HA 0.709 5.242 4.527 0.011 0.000 0.316 349 F C -1.518 174.246 175.800 -0.060 0.000 1.155 349 F CA -1.805 56.154 58.000 -0.070 0.000 0.937 349 F CB 0.860 39.819 39.000 -0.069 0.000 1.361 349 F HN -0.073 nan 8.300 nan 0.000 0.472 350 I N 2.957 123.542 120.570 0.024 0.000 2.371 350 I HA 0.286 4.462 4.170 0.011 0.000 0.282 350 I C -1.675 174.491 176.117 0.081 0.000 1.031 350 I CA -1.947 59.312 61.300 -0.068 0.000 1.180 350 I CB 1.783 39.822 38.000 0.065 0.000 1.336 350 I HN 0.460 nan 8.210 nan 0.000 0.467 351 P HA -0.138 nan 4.420 nan 0.000 0.220 351 P C 0.262 177.644 177.300 0.137 0.000 1.148 351 P CA 1.272 64.442 63.100 0.116 0.000 0.803 351 P CB 0.542 32.184 31.700 -0.096 0.000 0.782 352 Q N -1.121 118.766 119.800 0.146 0.000 2.633 352 Q HA 0.334 4.680 4.340 0.011 0.000 0.289 352 Q C -1.376 174.819 176.000 0.325 0.000 0.940 352 Q CA -0.758 55.140 55.803 0.159 0.000 0.785 352 Q CB 1.119 29.868 28.738 0.018 0.000 1.467 352 Q HN 0.254 nan 8.270 nan 0.000 0.401 353 H N -0.936 118.179 119.070 0.074 0.000 3.016 353 H HA 0.513 5.076 4.556 0.011 0.000 0.362 353 H C -0.548 174.663 175.328 -0.195 0.000 1.233 353 H CA -0.163 55.955 56.048 0.116 0.000 1.124 353 H CB 1.502 31.389 29.762 0.208 0.000 1.850 353 H HN 0.689 nan 8.280 nan 0.000 0.549 354 S N -0.236 115.365 115.700 -0.164 0.000 2.439 354 S HA -0.077 4.400 4.470 0.011 0.000 0.224 354 S C 0.546 175.038 174.600 -0.179 0.000 1.029 354 S CA 0.805 58.761 58.200 -0.406 0.000 0.946 354 S CB -0.227 62.756 63.200 -0.362 0.000 0.797 354 S HN 0.765 nan 8.310 nan 0.000 0.504 355 D N 1.256 121.696 120.400 0.067 0.000 3.012 355 D HA -0.144 4.502 4.640 0.011 0.000 0.222 355 D C 0.191 176.499 176.300 0.012 0.000 1.167 355 D CA 0.892 54.955 54.000 0.106 0.000 0.854 355 D CB -1.532 39.462 40.800 0.323 0.000 1.107 355 D HN 0.775 nan 8.370 nan 0.000 0.421 356 A N 0.137 122.896 122.820 -0.102 0.000 2.546 356 A HA 0.153 4.480 4.320 0.011 0.000 0.243 356 A C 1.419 178.978 177.584 -0.040 0.000 1.063 356 A CA 0.677 52.624 52.037 -0.149 0.000 0.757 356 A CB 0.370 19.287 19.000 -0.139 0.000 0.991 356 A HN 0.344 nan 8.150 nan 0.000 0.503 357 R N 1.302 121.760 120.500 -0.070 0.000 2.250 357 R HA 0.194 4.540 4.340 0.011 0.000 0.194 357 R C -0.591 175.734 176.300 0.042 0.000 0.927 357 R CA 0.349 56.483 56.100 0.057 0.000 1.052 357 R CB 0.609 30.983 30.300 0.124 0.000 1.055 357 R HN 0.535 nan 8.270 nan 0.000 0.537 358 V N 1.876 121.747 119.914 -0.073 0.000 2.448 358 V HA 0.041 4.167 4.120 0.011 0.000 0.295 358 V C 0.926 177.030 176.094 0.017 0.000 1.025 358 V CA -0.414 61.882 62.300 -0.006 0.000 0.859 358 V CB 1.781 33.559 31.823 -0.074 0.000 0.988 358 V HN 0.097 nan 8.190 nan 0.000 0.431 359 L N 4.650 125.948 121.223 0.124 0.000 2.030 359 L HA -0.235 4.111 4.340 0.011 0.000 0.222 359 L C 2.204 179.132 176.870 0.095 0.000 1.082 359 L CA 2.372 57.289 54.840 0.130 0.000 0.785 359 L CB -0.360 41.810 42.059 0.184 0.000 0.895 359 L HN 0.800 nan 8.230 nan 0.000 0.439 360 E N -0.580 119.697 120.200 0.128 0.000 2.267 360 E HA -0.238 4.119 4.350 0.011 0.000 0.197 360 E C 2.157 178.786 176.600 0.049 0.000 0.998 360 E CA 1.206 57.683 56.400 0.127 0.000 0.830 360 E CB -0.281 29.530 29.700 0.184 0.000 0.751 360 E HN 0.670 nan 8.360 nan 0.000 0.491 361 Q N -0.013 119.758 119.800 -0.049 0.000 2.234 361 Q HA -0.155 4.191 4.340 0.011 0.000 0.206 361 Q C 2.016 177.836 176.000 -0.300 0.000 0.980 361 Q CA 0.870 56.537 55.803 -0.227 0.000 0.869 361 Q CB -0.251 28.233 28.738 -0.424 0.000 0.912 361 Q HN 0.363 nan 8.270 nan 0.000 0.436 362 L N 0.270 121.431 121.223 -0.103 0.000 2.081 362 L HA -0.257 4.089 4.340 0.011 0.000 0.212 362 L C 2.226 179.157 176.870 0.101 0.000 1.080 362 L CA 1.103 55.971 54.840 0.046 0.000 0.754 362 L CB -0.576 41.562 42.059 0.131 0.000 0.893 362 L HN 0.303 nan 8.230 nan 0.000 0.433 363 I N -0.801 119.806 120.570 0.062 0.000 2.113 363 I HA -0.350 3.827 4.170 0.011 0.000 0.238 363 I C 2.681 178.862 176.117 0.108 0.000 1.070 363 I CA 1.906 63.273 61.300 0.112 0.000 1.332 363 I CB -0.565 37.498 38.000 0.105 0.000 1.044 363 I HN 0.279 nan 8.210 nan 0.000 0.402 364 Y N 1.487 121.728 120.300 -0.098 0.000 2.263 364 Y HA -0.059 4.498 4.550 0.011 0.000 0.292 364 Y C 2.307 177.974 175.900 -0.388 0.000 1.130 364 Y CA 0.799 58.707 58.100 -0.319 0.000 1.179 364 Y CB -0.708 37.465 38.460 -0.478 0.000 0.998 364 Y HN -0.122 nan 8.280 nan 0.000 0.532 365 K N 0.518 120.376 120.400 -0.903 0.000 2.020 365 K HA -0.234 4.092 4.320 0.011 0.000 0.212 365 K C 1.806 178.084 176.600 -0.537 0.000 1.050 365 K CA 2.292 58.064 56.287 -0.860 0.000 0.929 365 K CB -1.185 30.733 32.500 -0.971 0.000 0.714 365 K HN 0.584 nan 8.250 nan 0.000 0.443 366 W N 0.265 121.516 121.300 -0.081 0.000 2.436 366 W HA -0.092 4.575 4.660 0.011 0.000 0.284 366 W C 2.430 179.002 176.519 0.088 0.000 1.225 366 W CA 0.708 58.065 57.345 0.020 0.000 1.271 366 W CB -0.372 29.081 29.460 -0.013 0.000 1.114 366 W HN 0.351 nan 8.180 nan 0.000 0.559 367 H N -0.520 118.679 119.070 0.215 0.000 2.326 367 H HA -0.137 4.425 4.556 0.011 0.000 0.301 367 H C 1.806 177.320 175.328 0.310 0.000 1.081 367 H CA 2.181 58.370 56.048 0.236 0.000 1.334 367 H CB -0.479 29.423 29.762 0.233 0.000 1.385 367 H HN 0.308 nan 8.280 nan 0.000 0.504 368 H N -0.693 118.583 119.070 0.343 0.000 2.389 368 H HA -0.048 4.514 4.556 0.010 0.000 0.299 368 H C 2.408 177.824 175.328 0.147 0.000 1.081 368 H CA 0.934 57.139 56.048 0.261 0.000 1.345 368 H CB 0.503 30.423 29.762 0.263 0.000 1.393 368 H HN 0.275 nan 8.280 nan 0.000 0.520 369 S N 0.442 116.281 115.700 0.232 0.000 2.377 369 S HA -0.060 4.416 4.470 0.011 0.000 0.223 369 S C 1.901 176.648 174.600 0.245 0.000 1.030 369 S CA 0.588 58.894 58.200 0.176 0.000 0.970 369 S CB 0.079 63.311 63.200 0.053 0.000 0.830 369 S HN 0.326 nan 8.310 nan 0.000 0.473 370 K N 1.572 122.137 120.400 0.276 0.000 2.103 370 K HA -0.114 4.212 4.320 0.011 0.000 0.207 370 K C 2.522 179.203 176.600 0.135 0.000 1.048 370 K CA 1.618 58.046 56.287 0.236 0.000 0.930 370 K CB -0.289 32.255 32.500 0.074 0.000 0.716 370 K HN 0.489 nan 8.250 nan 0.000 0.444 371 S N 0.952 116.692 115.700 0.066 0.000 2.383 371 S HA -0.113 4.363 4.470 0.011 0.000 0.227 371 S C 2.018 176.671 174.600 0.089 0.000 1.026 371 S CA 0.876 59.101 58.200 0.043 0.000 0.981 371 S CB -0.484 62.725 63.200 0.015 0.000 0.818 371 S HN 0.198 nan 8.310 nan 0.000 0.472 372 I N 1.430 122.068 120.570 0.114 0.000 2.202 372 I HA -0.090 4.087 4.170 0.011 0.000 0.242 372 I C 2.434 178.628 176.117 0.128 0.000 1.091 372 I CA 1.246 62.611 61.300 0.109 0.000 1.368 372 I CB -0.418 37.648 38.000 0.110 0.000 1.058 372 I HN 0.260 nan 8.210 nan 0.000 0.410 373 I N 0.964 121.639 120.570 0.175 0.000 2.226 373 I HA -0.293 3.884 4.170 0.011 0.000 0.245 373 I C 2.814 179.041 176.117 0.184 0.000 1.100 373 I CA 1.339 62.757 61.300 0.196 0.000 1.374 373 I CB -0.482 37.701 38.000 0.305 0.000 1.057 373 I HN 0.193 nan 8.210 nan 0.000 0.413 374 A N 0.440 123.370 122.820 0.183 0.000 1.902 374 A HA -0.263 4.063 4.320 0.011 0.000 0.217 374 A C 2.222 179.883 177.584 0.128 0.000 1.181 374 A CA 2.025 54.156 52.037 0.157 0.000 0.623 374 A CB -0.529 18.540 19.000 0.114 0.000 0.818 374 A HN 0.395 nan 8.150 nan 0.000 0.443 375 E N 0.011 120.274 120.200 0.104 0.000 2.110 375 E HA -0.113 4.243 4.350 0.011 0.000 0.193 375 E C 1.808 178.456 176.600 0.081 0.000 0.988 375 E CA 1.536 57.987 56.400 0.086 0.000 0.804 375 E CB -0.424 29.319 29.700 0.071 0.000 0.745 375 E HN 0.259 nan 8.360 nan 0.000 0.458 376 V N 0.595 120.558 119.914 0.080 0.000 2.295 376 V HA -0.239 3.888 4.120 0.011 0.000 0.246 376 V C 2.498 178.611 176.094 0.032 0.000 1.049 376 V CA 1.686 64.021 62.300 0.058 0.000 1.024 376 V CB -0.508 31.356 31.823 0.069 0.000 0.648 376 V HN 0.291 nan 8.190 nan 0.000 0.447 377 L N -0.659 120.592 121.223 0.047 0.000 2.012 377 L HA -0.211 4.136 4.340 0.011 0.000 0.210 377 L C 2.379 179.294 176.870 0.076 0.000 1.073 377 L CA 1.760 56.587 54.840 -0.020 0.000 0.748 377 L CB -0.494 41.636 42.059 0.117 0.000 0.891 377 L HN 0.266 nan 8.230 nan 0.000 0.431 378 I N -0.368 120.306 120.570 0.172 0.000 2.208 378 I HA -0.336 3.840 4.170 0.011 0.000 0.245 378 I C 2.169 178.372 176.117 0.143 0.000 1.097 378 I CA 1.303 62.723 61.300 0.201 0.000 1.363 378 I CB -0.428 37.655 38.000 0.139 0.000 1.051 378 I HN 0.302 nan 8.210 nan 0.000 0.413 379 D N 0.897 121.346 120.400 0.082 0.000 2.097 379 D HA -0.171 4.476 4.640 0.011 0.000 0.195 379 D C 2.191 178.514 176.300 0.038 0.000 0.989 379 D CA 1.369 55.403 54.000 0.056 0.000 0.827 379 D CB -0.081 40.740 40.800 0.036 0.000 0.966 379 D HN 0.117 nan 8.370 nan 0.000 0.456 380 K N -0.254 120.136 120.400 -0.017 0.000 2.097 380 K HA -0.087 4.240 4.320 0.011 0.000 0.205 380 K C 2.077 178.657 176.600 -0.033 0.000 1.050 380 K CA 0.661 56.905 56.287 -0.072 0.000 0.938 380 K CB -0.577 31.821 32.500 -0.170 0.000 0.718 380 K HN 0.215 nan 8.250 nan 0.000 0.442 381 Y N 0.957 121.289 120.300 0.053 0.000 2.181 381 Y HA -0.190 4.367 4.550 0.011 0.000 0.288 381 Y C 2.105 178.051 175.900 0.076 0.000 1.146 381 Y CA 1.408 59.550 58.100 0.071 0.000 1.164 381 Y CB -0.704 37.806 38.460 0.083 0.000 0.982 381 Y HN 0.167 nan 8.280 nan 0.000 0.515 382 D N -0.294 120.242 120.400 0.226 0.000 2.144 382 D HA -0.165 4.481 4.640 0.011 0.000 0.199 382 D C 1.595 177.964 176.300 0.115 0.000 0.984 382 D CA 1.478 55.568 54.000 0.150 0.000 0.834 382 D CB -0.109 40.758 40.800 0.112 0.000 0.955 382 D HN 0.187 nan 8.370 nan 0.000 0.465 383 D N -0.190 120.263 120.400 0.088 0.000 2.117 383 D HA -0.120 4.527 4.640 0.011 0.000 0.197 383 D C 2.200 178.543 176.300 0.072 0.000 0.987 383 D CA 1.053 55.089 54.000 0.060 0.000 0.829 383 D CB -0.327 40.489 40.800 0.027 0.000 0.961 383 D HN 0.543 nan 8.370 nan 0.000 0.460 384 I N -1.909 118.713 120.570 0.087 0.000 2.761 384 I HA -0.070 4.107 4.170 0.011 0.000 0.261 384 I C 2.163 178.408 176.117 0.213 0.000 1.198 384 I CA 0.577 61.938 61.300 0.102 0.000 1.482 384 I CB -0.357 37.645 38.000 0.003 0.000 1.100 384 I HN -0.099 nan 8.210 nan 0.000 0.445 385 L N 0.602 121.951 121.223 0.210 0.000 2.056 385 L HA -0.113 4.234 4.340 0.011 0.000 0.207 385 L C 2.761 179.714 176.870 0.138 0.000 1.078 385 L CA 1.060 56.017 54.840 0.194 0.000 0.749 385 L CB -0.627 41.524 42.059 0.154 0.000 0.901 385 L HN 0.302 nan 8.230 nan 0.000 0.433 386 Q N -0.143 119.723 119.800 0.110 0.000 2.291 386 Q HA -0.092 4.255 4.340 0.011 0.000 0.206 386 Q C 1.963 178.013 176.000 0.083 0.000 0.976 386 Q CA 1.312 57.164 55.803 0.081 0.000 0.875 386 Q CB -0.106 28.671 28.738 0.065 0.000 0.927 386 Q HN 0.482 nan 8.270 nan 0.000 0.450 387 A N -0.708 122.174 122.820 0.104 0.000 2.278 387 A HA 0.393 4.719 4.320 0.011 0.000 0.212 387 A C 1.381 179.047 177.584 0.137 0.000 1.213 387 A CA 0.812 52.911 52.037 0.103 0.000 0.840 387 A CB -0.055 19.000 19.000 0.091 0.000 0.866 387 A HN 0.376 nan 8.150 nan 0.000 0.489 388 G N -2.222 106.663 108.800 0.142 0.000 2.175 388 G HA2 -0.264 3.702 3.960 0.011 0.000 0.244 388 G HA3 -0.264 3.702 3.960 0.011 0.000 0.244 388 G C 0.123 175.130 174.900 0.177 0.000 0.982 388 G CA 0.085 45.263 45.100 0.130 0.000 0.641 388 G HN 0.664 nan 8.290 nan 0.000 0.527 389 W N 1.606 122.926 121.300 0.034 0.000 2.202 389 W HA 0.577 5.243 4.660 0.011 0.000 0.332 389 W C -0.310 176.230 176.519 0.034 0.000 1.263 389 W CA 0.141 57.509 57.345 0.038 0.000 1.223 389 W CB 0.622 30.113 29.460 0.052 0.000 1.128 389 W HN 0.207 nan 8.180 nan 0.000 0.573 390 E N 3.410 123.302 120.200 -0.512 0.000 2.114 390 E HA 0.236 4.592 4.350 0.011 0.000 0.266 390 E C -0.902 175.518 176.600 -0.300 0.000 0.896 390 E CA -0.582 55.631 56.400 -0.311 0.000 0.750 390 E CB 2.067 31.584 29.700 -0.304 0.000 1.121 390 E HN 0.077 nan 8.360 nan 0.000 0.413 391 V N 3.149 123.055 119.914 -0.013 0.000 2.407 391 V HA 0.232 4.358 4.120 0.011 0.000 0.278 391 V C 0.625 176.686 176.094 -0.054 0.000 1.037 391 V CA -0.644 61.684 62.300 0.047 0.000 0.900 391 V CB 1.249 33.103 31.823 0.052 0.000 0.983 391 V HN 0.744 nan 8.190 nan 0.000 0.459 392 T N 0.269 114.795 114.554 -0.047 0.000 2.918 392 T HA 0.328 4.685 4.350 0.011 0.000 0.283 392 T C 0.890 175.549 174.700 -0.069 0.000 1.001 392 T CA -0.460 61.606 62.100 -0.056 0.000 1.041 392 T CB 1.703 70.547 68.868 -0.040 0.000 1.028 392 T HN 0.722 nan 8.240 nan 0.000 0.511 393 E N 0.078 120.242 120.200 -0.061 0.000 2.153 393 E HA -0.173 4.184 4.350 0.011 0.000 0.194 393 E C 1.760 178.338 176.600 -0.037 0.000 0.988 393 E CA 0.900 57.264 56.400 -0.061 0.000 0.811 393 E CB 0.100 29.774 29.700 -0.042 0.000 0.746 393 E HN 0.645 nan 8.360 nan 0.000 0.466 394 E N 0.582 120.770 120.200 -0.020 0.000 2.106 394 E HA -0.182 4.174 4.350 0.011 0.000 0.192 394 E C 1.851 178.462 176.600 0.019 0.000 0.984 394 E CA 0.939 57.340 56.400 0.000 0.000 0.806 394 E CB -0.055 29.647 29.700 0.003 0.000 0.750 394 E HN 0.430 nan 8.360 nan 0.000 0.458 395 E N 0.375 120.588 120.200 0.021 0.000 2.106 395 E HA -0.093 4.264 4.350 0.011 0.000 0.192 395 E C 2.265 178.909 176.600 0.072 0.000 0.984 395 E CA 0.523 56.962 56.400 0.065 0.000 0.806 395 E CB -0.067 29.693 29.700 0.099 0.000 0.750 395 E HN 0.241 nan 8.360 nan 0.000 0.458 396 I N 1.329 121.893 120.570 -0.011 0.000 2.142 396 I HA -0.295 3.881 4.170 0.011 0.000 0.240 396 I C 2.183 178.347 176.117 0.078 0.000 1.078 396 I CA 1.329 62.617 61.300 -0.021 0.000 1.343 396 I CB -0.217 37.675 38.000 -0.179 0.000 1.046 396 I HN 0.013 nan 8.210 nan 0.000 0.405 397 K N 0.243 120.668 120.400 0.042 0.000 2.209 397 K HA -0.199 4.128 4.320 0.011 0.000 0.204 397 K C 2.237 178.881 176.600 0.074 0.000 1.048 397 K CA 1.005 57.323 56.287 0.052 0.000 0.940 397 K CB -0.206 32.309 32.500 0.024 0.000 0.729 397 K HN 0.275 nan 8.250 nan 0.000 0.451 398 R N 1.291 121.837 120.500 0.076 0.000 2.062 398 R HA -0.138 4.209 4.340 0.011 0.000 0.229 398 R C 1.223 177.584 176.300 0.102 0.000 1.128 398 R CA 1.822 57.971 56.100 0.082 0.000 0.960 398 R CB -0.063 30.284 30.300 0.078 0.000 0.855 398 R HN 0.106 nan 8.270 nan 0.000 0.432 399 D N 0.318 120.799 120.400 0.135 0.000 2.117 399 D HA -0.128 4.519 4.640 0.011 0.000 0.197 399 D C 2.007 178.385 176.300 0.129 0.000 0.987 399 D CA 1.133 55.217 54.000 0.140 0.000 0.829 399 D CB -0.226 40.711 40.800 0.227 0.000 0.961 399 D HN 0.102 nan 8.370 nan 0.000 0.460 400 V N 1.526 121.549 119.914 0.181 0.000 2.407 400 V HA -0.233 3.893 4.120 0.011 0.000 0.248 400 V C 2.539 178.783 176.094 0.251 0.000 1.055 400 V CA 1.726 64.175 62.300 0.248 0.000 1.049 400 V CB -0.744 31.219 31.823 0.234 0.000 0.662 400 V HN 0.185 nan 8.190 nan 0.000 0.455 401 A N -0.266 122.649 122.820 0.157 0.000 1.902 401 A HA -0.245 4.081 4.320 0.011 0.000 0.217 401 A C 2.031 179.687 177.584 0.121 0.000 1.181 401 A CA 1.959 54.077 52.037 0.135 0.000 0.623 401 A CB -0.564 18.492 19.000 0.093 0.000 0.818 401 A HN 0.541 nan 8.150 nan 0.000 0.443 402 D N 0.160 120.608 120.400 0.080 0.000 2.084 402 D HA -0.128 4.519 4.640 0.011 0.000 0.194 402 D C 2.016 178.293 176.300 -0.038 0.000 0.990 402 D CA 1.241 55.263 54.000 0.036 0.000 0.826 402 D CB -0.388 40.421 40.800 0.015 0.000 0.971 402 D HN 0.450 nan 8.370 nan 0.000 0.453 403 L N -0.508 120.645 121.223 -0.117 0.000 2.012 403 L HA -0.161 4.185 4.340 0.011 0.000 0.210 403 L C 2.177 178.806 176.870 -0.402 0.000 1.073 403 L CA 1.048 55.670 54.840 -0.363 0.000 0.748 403 L CB -0.344 41.417 42.059 -0.497 0.000 0.891 403 L HN -0.026 nan 8.230 nan 0.000 0.431 404 F N -2.313 117.606 119.950 -0.052 0.000 2.776 404 F HA 0.040 4.574 4.527 0.010 0.000 0.300 404 F C 2.088 177.843 175.800 -0.075 0.000 1.116 404 F CA 0.537 58.492 58.000 -0.075 0.000 1.375 404 F CB 0.481 39.414 39.000 -0.111 0.000 1.109 404 F HN -0.022 nan 8.300 nan 0.000 0.585 405 S N -1.221 114.560 115.700 0.134 0.000 3.798 405 S HA 0.108 4.584 4.470 0.011 0.000 0.227 405 S C 1.786 176.547 174.600 0.267 0.000 1.126 405 S CA -0.189 58.124 58.200 0.188 0.000 1.030 405 S CB -0.242 63.091 63.200 0.223 0.000 1.189 405 S HN 0.062 nan 8.310 nan 0.000 0.464 406 R N 1.652 122.282 120.500 0.216 0.000 2.081 406 R HA 0.070 4.417 4.340 0.011 0.000 0.235 406 R C 1.699 178.097 176.300 0.162 0.000 1.131 406 R CA 1.739 57.969 56.100 0.216 0.000 0.960 406 R CB -0.421 29.964 30.300 0.142 0.000 0.856 406 R HN 0.382 nan 8.270 nan 0.000 0.436 407 N N 0.587 119.342 118.700 0.092 0.000 2.149 407 N HA -0.194 4.553 4.740 0.011 0.000 0.188 407 N C 1.454 177.013 175.510 0.083 0.000 1.019 407 N CA 1.152 54.240 53.050 0.064 0.000 0.857 407 N CB -0.353 38.128 38.487 -0.010 0.000 0.997 407 N HN 0.120 nan 8.380 nan 0.000 0.426 408 F N 0.216 120.097 119.950 -0.115 0.000 2.051 408 F HA -0.122 4.412 4.527 0.011 0.000 0.296 408 F C 1.895 177.577 175.800 -0.198 0.000 1.122 408 F CA 1.374 59.226 58.000 -0.246 0.000 1.201 408 F CB -0.797 37.894 39.000 -0.515 0.000 0.978 408 F HN 0.025 nan 8.300 nan 0.000 0.472 409 W N 0.667 121.916 121.300 -0.086 0.000 2.374 409 W HA -0.127 4.540 4.660 0.011 0.000 0.288 409 W C 2.768 179.199 176.519 -0.148 0.000 1.218 409 W CA 1.319 58.545 57.345 -0.199 0.000 1.245 409 W CB -0.510 28.922 29.460 -0.047 0.000 1.126 409 W HN -0.025 nan 8.180 nan 0.000 0.545 410 R N -0.220 120.361 120.500 0.136 0.000 2.075 410 R HA -0.193 4.154 4.340 0.011 0.000 0.232 410 R C 2.120 178.457 176.300 0.062 0.000 1.126 410 R CA 1.650 57.810 56.100 0.100 0.000 0.963 410 R CB -0.815 29.553 30.300 0.114 0.000 0.858 410 R HN 0.176 nan 8.270 nan 0.000 0.435 411 F N 1.126 120.998 119.950 -0.129 0.000 2.113 411 F HA -0.157 4.376 4.527 0.011 0.000 0.297 411 F C 2.087 177.768 175.800 -0.197 0.000 1.103 411 F CA 1.646 59.558 58.000 -0.147 0.000 1.248 411 F CB -0.315 38.592 39.000 -0.155 0.000 0.999 411 F HN -0.049 nan 8.300 nan 0.000 0.475 412 V N -1.039 118.699 119.914 -0.293 0.000 2.759 412 V HA 0.182 4.309 4.120 0.011 0.000 0.256 412 V C 1.383 177.361 176.094 -0.193 0.000 1.080 412 V CA 0.477 62.583 62.300 -0.324 0.000 1.101 412 V CB -1.789 29.763 31.823 -0.451 0.000 0.698 412 V HN 0.661 nan 8.190 nan 0.000 0.477 413 G N 0.000 108.727 108.800 -0.122 0.000 5.446 413 G HA2 0.000 3.966 3.960 0.011 0.000 0.244 413 G HA3 0.000 3.966 3.960 0.011 0.000 0.244 413 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925