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 1o9n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IADIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AKS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 I N 1.148 121.710 120.570 -0.013 0.000 2.331 2 I HA 0.309 4.493 4.170 0.024 0.000 0.292 2 I C 0.299 176.405 176.117 -0.019 0.000 0.998 2 I CA -0.420 60.871 61.300 -0.015 0.000 1.267 2 I CB 1.768 39.758 38.000 -0.016 0.000 1.386 2 I HN 0.586 nan 8.210 nan 0.000 0.476 3 S N 6.222 121.908 115.700 -0.024 0.000 2.465 3 S HA 0.231 4.716 4.470 0.024 0.000 0.279 3 S C 0.931 175.511 174.600 -0.032 0.000 1.201 3 S CA -0.623 57.555 58.200 -0.035 0.000 1.053 3 S CB 0.698 63.873 63.200 -0.042 0.000 0.953 3 S HN 0.674 nan 8.310 nan 0.000 0.488 4 L N 6.018 127.219 121.223 -0.037 0.000 1.989 4 L HA -0.035 4.319 4.340 0.024 0.000 0.211 4 L C 2.546 179.399 176.870 -0.029 0.000 1.071 4 L CA 2.150 56.971 54.840 -0.030 0.000 0.749 4 L CB -0.879 41.159 42.059 -0.035 0.000 0.890 4 L HN 0.858 nan 8.230 nan 0.000 0.431 5 A N -0.271 122.523 122.820 -0.045 0.000 1.917 5 A HA -0.351 3.984 4.320 0.024 0.000 0.219 5 A C 1.900 179.475 177.584 -0.014 0.000 1.182 5 A CA 2.255 54.272 52.037 -0.033 0.000 0.633 5 A CB -1.026 17.937 19.000 -0.062 0.000 0.819 5 A HN 0.677 nan 8.150 nan 0.000 0.448 6 D N -0.162 120.226 120.400 -0.019 0.000 2.087 6 D HA -0.165 4.489 4.640 0.024 0.000 0.192 6 D C 1.849 178.148 176.300 -0.002 0.000 0.993 6 D CA 1.697 55.693 54.000 -0.007 0.000 0.828 6 D CB -0.300 40.494 40.800 -0.010 0.000 0.968 6 D HN 0.409 nan 8.370 nan 0.000 0.448 7 L N -0.095 121.124 121.223 -0.006 0.000 2.043 7 L HA -0.245 4.109 4.340 0.024 0.000 0.212 7 L C 2.807 179.678 176.870 0.001 0.000 1.075 7 L CA 1.434 56.272 54.840 -0.003 0.000 0.752 7 L CB -0.654 41.401 42.059 -0.007 0.000 0.891 7 L HN 0.255 nan 8.230 nan 0.000 0.432 8 Q N -0.287 119.514 119.800 0.001 0.000 2.014 8 Q HA -0.248 4.106 4.340 0.024 0.000 0.207 8 Q C 2.418 178.425 176.000 0.012 0.000 0.993 8 Q CA 1.767 57.574 55.803 0.006 0.000 0.850 8 Q CB -0.168 28.575 28.738 0.008 0.000 0.916 8 Q HN 0.448 nan 8.270 nan 0.000 0.417 9 R N 0.232 120.741 120.500 0.015 0.000 2.094 9 R HA -0.162 4.193 4.340 0.024 0.000 0.239 9 R C 2.363 178.673 176.300 0.016 0.000 1.137 9 R CA 1.598 57.710 56.100 0.019 0.000 0.943 9 R CB -0.293 30.022 30.300 0.024 0.000 0.850 9 R HN 0.219 nan 8.270 nan 0.000 0.433 10 R N 0.214 120.722 120.500 0.013 0.000 2.096 10 R HA -0.087 4.267 4.340 0.024 0.000 0.235 10 R C 2.336 178.642 176.300 0.010 0.000 1.127 10 R CA 1.279 57.385 56.100 0.011 0.000 0.968 10 R CB -0.287 30.018 30.300 0.008 0.000 0.861 10 R HN 0.297 nan 8.270 nan 0.000 0.440 11 I N 0.246 120.822 120.570 0.009 0.000 2.286 11 I HA -0.210 3.974 4.170 0.024 0.000 0.245 11 I C 2.445 178.569 176.117 0.011 0.000 1.104 11 I CA 1.013 62.318 61.300 0.009 0.000 1.397 11 I CB -0.171 37.834 38.000 0.008 0.000 1.072 11 I HN 0.124 nan 8.210 nan 0.000 0.417 12 E N 1.269 121.476 120.200 0.012 0.000 2.038 12 E HA -0.239 4.125 4.350 0.024 0.000 0.195 12 E C 2.091 178.699 176.600 0.013 0.000 1.000 12 E CA 2.488 58.896 56.400 0.014 0.000 0.803 12 E CB -0.278 29.432 29.700 0.016 0.000 0.750 12 E HN 0.499 nan 8.360 nan 0.000 0.448 13 T N -3.596 110.966 114.554 0.014 0.000 3.035 13 T HA 0.121 4.486 4.350 0.024 0.000 0.268 13 T C 1.618 176.324 174.700 0.011 0.000 1.109 13 T CA 1.005 63.113 62.100 0.013 0.000 1.119 13 T CB -0.108 68.768 68.868 0.014 0.000 0.900 13 T HN 0.440 nan 8.240 nan 0.000 0.503 14 G N 0.853 109.660 108.800 0.010 0.000 2.179 14 G HA2 -0.249 3.725 3.960 0.024 0.000 0.220 14 G HA3 -0.249 3.725 3.960 0.024 0.000 0.220 14 G C 0.668 175.573 174.900 0.008 0.000 0.990 14 G CA 0.325 45.430 45.100 0.009 0.000 0.646 14 G HN 0.523 nan 8.290 nan 0.000 0.517 15 E N -0.971 119.234 120.200 0.009 0.000 2.118 15 E HA 0.059 4.424 4.350 0.024 0.000 0.195 15 E C 0.982 177.587 176.600 0.008 0.000 0.992 15 E CA 1.199 57.603 56.400 0.008 0.000 0.804 15 E CB 0.139 29.844 29.700 0.009 0.000 0.741 15 E HN 0.482 nan 8.360 nan 0.000 0.458 16 L N -0.247 120.981 121.223 0.008 0.000 2.370 16 L HA 0.265 4.619 4.340 0.024 0.000 0.266 16 L C -0.633 176.242 176.870 0.008 0.000 1.002 16 L CA -0.647 54.198 54.840 0.008 0.000 0.818 16 L CB 2.088 44.151 42.059 0.007 0.000 1.325 16 L HN -0.140 nan 8.230 nan 0.000 0.418 17 S N 2.925 118.630 115.700 0.009 0.000 2.608 17 S HA 0.629 5.114 4.470 0.024 0.000 0.291 17 S C -2.184 172.424 174.600 0.012 0.000 1.146 17 S CA -1.157 57.049 58.200 0.010 0.000 1.043 17 S CB 1.528 64.734 63.200 0.010 0.000 1.037 17 S HN 0.596 nan 8.310 nan 0.000 0.520 18 P HA -0.095 nan 4.420 nan 0.000 0.216 18 P C 1.071 178.384 177.300 0.021 0.000 1.150 18 P CA 1.135 64.244 63.100 0.014 0.000 0.837 18 P CB -0.008 31.700 31.700 0.014 0.000 0.786 19 N N -0.477 118.236 118.700 0.022 0.000 2.120 19 N HA -0.116 4.639 4.740 0.024 0.000 0.188 19 N C 1.728 177.259 175.510 0.035 0.000 1.024 19 N CA 1.600 54.667 53.050 0.030 0.000 0.852 19 N CB -0.880 37.619 38.487 0.021 0.000 1.003 19 N HN 0.080 nan 8.380 nan 0.000 0.424 20 A N 1.242 124.077 122.820 0.024 0.000 1.898 20 A HA 0.072 4.407 4.320 0.024 0.000 0.216 20 A C 2.425 180.023 177.584 0.024 0.000 1.181 20 A CA 1.761 53.812 52.037 0.023 0.000 0.620 20 A CB -0.771 18.238 19.000 0.015 0.000 0.819 20 A HN 0.309 nan 8.150 nan 0.000 0.442 21 A N 0.197 123.028 122.820 0.018 0.000 1.883 21 A HA -0.122 4.212 4.320 0.024 0.000 0.217 21 A C 2.009 179.598 177.584 0.008 0.000 1.186 21 A CA 1.783 53.826 52.037 0.009 0.000 0.624 21 A CB -0.541 18.462 19.000 0.005 0.000 0.822 21 A HN 0.405 nan 8.150 nan 0.000 0.444 22 I N -0.063 120.521 120.570 0.023 0.000 2.226 22 I HA -0.223 3.961 4.170 0.024 0.000 0.245 22 I C 2.944 179.119 176.117 0.097 0.000 1.100 22 I CA 1.372 62.688 61.300 0.027 0.000 1.374 22 I CB -1.664 36.379 38.000 0.071 0.000 1.057 22 I HN 0.373 nan 8.210 nan 0.000 0.413 23 A N 0.346 123.243 122.820 0.129 0.000 1.908 23 A HA -0.252 4.082 4.320 0.024 0.000 0.218 23 A C 2.252 179.899 177.584 0.105 0.000 1.181 23 A CA 1.555 53.684 52.037 0.153 0.000 0.627 23 A CB -0.665 18.381 19.000 0.076 0.000 0.818 23 A HN 0.513 nan 8.150 nan 0.000 0.445 24 Q N -0.484 119.343 119.800 0.046 0.000 2.124 24 Q HA -0.119 4.236 4.340 0.024 0.000 0.202 24 Q C 2.416 178.414 176.000 -0.005 0.000 0.977 24 Q CA 1.726 57.540 55.803 0.018 0.000 0.850 24 Q CB -0.191 28.549 28.738 0.004 0.000 0.901 24 Q HN 0.642 nan 8.270 nan 0.000 0.429 25 S N -0.425 115.249 115.700 -0.044 0.000 2.371 25 S HA -0.113 4.371 4.470 0.024 0.000 0.224 25 S C 1.639 176.154 174.600 -0.143 0.000 1.029 25 S CA 0.594 58.726 58.200 -0.114 0.000 0.978 25 S CB -0.192 62.903 63.200 -0.174 0.000 0.833 25 S HN 0.423 nan 8.310 nan 0.000 0.466 26 H N 1.337 120.391 119.070 -0.027 0.000 2.387 26 H HA -0.005 4.565 4.556 0.025 0.000 0.299 26 H C 2.398 177.727 175.328 0.002 0.000 1.099 26 H CA 1.437 57.498 56.048 0.022 0.000 1.315 26 H CB -0.491 29.308 29.762 0.062 0.000 1.380 26 H HN 0.430 nan 8.280 nan 0.000 0.513 27 A N 0.891 123.776 122.820 0.108 0.000 1.872 27 A HA 0.003 4.338 4.320 0.024 0.000 0.214 27 A C 2.719 180.305 177.584 0.003 0.000 1.187 27 A CA 1.468 53.535 52.037 0.049 0.000 0.614 27 A CB -0.776 18.244 19.000 0.034 0.000 0.826 27 A HN 0.415 nan 8.150 nan 0.000 0.442 28 A N 0.212 123.018 122.820 -0.023 0.000 1.883 28 A HA -0.141 4.194 4.320 0.024 0.000 0.217 28 A C 2.134 179.677 177.584 -0.067 0.000 1.186 28 A CA 1.646 53.657 52.037 -0.043 0.000 0.624 28 A CB -0.697 18.274 19.000 -0.048 0.000 0.822 28 A HN 0.497 nan 8.150 nan 0.000 0.444 29 I N -0.399 120.092 120.570 -0.132 0.000 2.127 29 I HA -0.245 3.940 4.170 0.024 0.000 0.241 29 I C 2.440 178.485 176.117 -0.121 0.000 1.075 29 I CA 1.482 62.648 61.300 -0.224 0.000 1.334 29 I CB -0.434 37.176 38.000 -0.649 0.000 1.040 29 I HN 0.308 nan 8.210 nan 0.000 0.405 30 E N 0.834 121.008 120.200 -0.043 0.000 2.204 30 E HA -0.186 4.179 4.350 0.024 0.000 0.195 30 E C 2.234 178.828 176.600 -0.009 0.000 0.990 30 E CA 1.321 57.728 56.400 0.011 0.000 0.821 30 E CB -0.237 29.492 29.700 0.049 0.000 0.750 30 E HN 0.525 nan 8.360 nan 0.000 0.477 31 A N 0.818 123.625 122.820 -0.020 0.000 1.968 31 A HA -0.084 4.251 4.320 0.024 0.000 0.217 31 A C 1.886 179.449 177.584 -0.035 0.000 1.169 31 A CA 1.050 53.073 52.037 -0.023 0.000 0.638 31 A CB -0.002 18.983 19.000 -0.023 0.000 0.812 31 A HN 0.087 nan 8.150 nan 0.000 0.446 32 R N -1.738 118.735 120.500 -0.046 0.000 2.541 32 R HA 0.149 4.503 4.340 0.024 0.000 0.332 32 R C 0.984 177.232 176.300 -0.086 0.000 0.951 32 R CA -0.214 55.849 56.100 -0.062 0.000 1.136 32 R CB 0.211 30.475 30.300 -0.061 0.000 1.449 32 R HN 0.234 nan 8.270 nan 0.000 0.531 33 E N 2.053 122.215 120.200 -0.063 0.000 2.118 33 E HA -0.150 4.215 4.350 0.024 0.000 0.195 33 E C 1.089 177.582 176.600 -0.178 0.000 0.992 33 E CA 1.355 57.719 56.400 -0.059 0.000 0.804 33 E CB 0.218 29.921 29.700 0.005 0.000 0.741 33 E HN 0.232 nan 8.360 nan 0.000 0.458 34 K N 0.273 120.591 120.400 -0.136 0.000 2.442 34 K HA -0.107 4.227 4.320 0.024 0.000 0.198 34 K C 1.940 178.346 176.600 -0.324 0.000 1.042 34 K CA 0.759 56.954 56.287 -0.152 0.000 0.958 34 K CB 0.148 32.633 32.500 -0.026 0.000 0.766 34 K HN 0.171 nan 8.250 nan 0.000 0.474 35 E N 0.123 120.127 120.200 -0.327 0.000 2.244 35 E HA -0.038 4.326 4.350 0.024 0.000 0.196 35 E C 1.451 177.851 176.600 -0.335 0.000 0.939 35 E CA 0.348 56.596 56.400 -0.254 0.000 0.884 35 E CB 0.577 30.204 29.700 -0.120 0.000 0.850 35 E HN -0.006 nan 8.360 nan 0.000 0.481 36 V N 0.237 119.942 119.914 -0.349 0.000 3.085 36 V HA 0.026 4.160 4.120 0.024 0.000 0.245 36 V C -0.145 175.879 176.094 -0.115 0.000 1.114 36 V CA 0.944 63.135 62.300 -0.183 0.000 1.108 36 V CB -0.572 31.199 31.823 -0.086 0.000 0.798 36 V HN 0.420 nan 8.190 nan 0.000 0.471 37 H N -0.412 118.682 119.070 0.041 0.000 2.748 37 H HA -0.180 4.391 4.556 0.024 0.000 0.322 37 H C 1.211 176.555 175.328 0.027 0.000 1.208 37 H CA 0.384 56.461 56.048 0.048 0.000 1.151 37 H CB -1.409 28.371 29.762 0.030 0.000 1.505 37 H HN 0.469 nan 8.280 nan 0.000 0.429 38 A N -0.329 122.547 122.820 0.092 0.000 2.095 38 A HA 0.245 4.580 4.320 0.024 0.000 0.212 38 A C 0.424 177.882 177.584 -0.210 0.000 1.162 38 A CA 0.330 52.319 52.037 -0.081 0.000 0.753 38 A CB 0.414 19.307 19.000 -0.178 0.000 0.840 38 A HN 0.240 nan 8.150 nan 0.000 0.468 39 F N -1.172 118.778 119.950 -0.000 0.000 2.420 39 F HA 0.390 4.931 4.527 0.024 0.000 0.342 39 F C 1.248 177.071 175.800 0.038 0.000 1.113 39 F CA -0.381 57.625 58.000 0.009 0.000 1.059 39 F CB 1.762 40.765 39.000 0.006 0.000 1.128 39 F HN -0.148 nan 8.300 nan 0.000 0.475 40 V N 2.546 122.563 119.914 0.172 0.000 2.379 40 V HA -0.053 4.081 4.120 0.024 0.000 0.245 40 V C 0.551 176.746 176.094 0.167 0.000 1.044 40 V CA 1.304 63.678 62.300 0.124 0.000 1.036 40 V CB -0.499 31.367 31.823 0.072 0.000 0.664 40 V HN 0.748 nan 8.190 nan 0.000 0.453 41 R N -0.169 120.470 120.500 0.232 0.000 2.566 41 R HA 0.429 4.783 4.340 0.024 0.000 0.271 41 R C -1.087 175.379 176.300 0.277 0.000 1.071 41 R CA -0.639 55.584 56.100 0.205 0.000 0.915 41 R CB 1.064 31.441 30.300 0.129 0.000 1.228 41 R HN 0.393 nan 8.270 nan 0.000 0.449 42 H N 2.001 121.092 119.070 0.034 0.000 2.551 42 H HA 0.162 4.733 4.556 0.024 0.000 0.321 42 H C -1.170 174.135 175.328 -0.038 0.000 1.028 42 H CA -0.703 55.275 56.048 -0.117 0.000 1.215 42 H CB 1.790 31.388 29.762 -0.273 0.000 1.414 42 H HN 0.684 nan 8.280 nan 0.000 0.480 43 D N 5.236 125.708 120.400 0.120 0.000 2.483 43 D HA 0.034 4.689 4.640 0.024 0.000 0.220 43 D C 0.698 176.969 176.300 -0.049 0.000 1.173 43 D CA -0.280 53.722 54.000 0.004 0.000 0.964 43 D CB 0.667 41.510 40.800 0.071 0.000 1.046 43 D HN 0.556 nan 8.370 nan 0.000 0.517 44 K N 0.939 121.113 120.400 -0.376 0.000 2.360 44 K HA -0.090 4.244 4.320 0.024 0.000 0.201 44 K C 1.488 177.884 176.600 -0.341 0.000 1.046 44 K CA 0.760 56.776 56.287 -0.451 0.000 0.945 44 K CB 0.072 32.272 32.500 -0.500 0.000 0.750 44 K HN 0.399 nan 8.250 nan 0.000 0.464 45 S N 0.044 115.649 115.700 -0.158 0.000 2.558 45 S HA 0.158 4.642 4.470 0.024 0.000 0.217 45 S C 0.844 175.432 174.600 -0.020 0.000 0.975 45 S CA -0.280 57.852 58.200 -0.112 0.000 0.912 45 S CB 0.060 63.215 63.200 -0.075 0.000 0.776 45 S HN 0.188 nan 8.310 nan 0.000 0.526 46 A N 2.084 124.957 122.820 0.089 0.000 2.546 46 A HA 0.481 4.816 4.320 0.024 0.000 0.243 46 A C 0.495 178.195 177.584 0.193 0.000 1.063 46 A CA -0.168 51.959 52.037 0.151 0.000 0.757 46 A CB 0.120 19.232 19.000 0.186 0.000 0.991 46 A HN 0.627 nan 8.150 nan 0.000 0.503 47 R N 1.097 121.659 120.500 0.103 0.000 2.888 47 R HA 0.661 5.016 4.340 0.024 0.000 0.266 47 R C -0.061 176.275 176.300 0.060 0.000 1.020 47 R CA -0.546 55.604 56.100 0.084 0.000 0.963 47 R CB 1.936 32.260 30.300 0.040 0.000 1.197 47 R HN 0.841 nan 8.270 nan 0.000 0.481 48 A N 1.269 124.119 122.820 0.049 0.000 2.425 48 A HA 0.137 4.472 4.320 0.024 0.000 0.242 48 A C -0.155 177.443 177.584 0.024 0.000 1.077 48 A CA -0.073 51.984 52.037 0.032 0.000 0.781 48 A CB 0.371 19.388 19.000 0.028 0.000 1.020 48 A HN 0.574 nan 8.150 nan 0.000 0.494 49 Q N -0.033 119.778 119.800 0.019 0.000 2.256 49 Q HA 0.456 4.811 4.340 0.024 0.000 0.232 49 Q C 1.229 177.236 176.000 0.012 0.000 0.965 49 Q CA -0.024 55.788 55.803 0.015 0.000 0.908 49 Q CB 1.463 30.209 28.738 0.013 0.000 1.209 49 Q HN 0.844 nan 8.270 nan 0.000 0.489 50 A N 1.035 123.861 122.820 0.010 0.000 1.897 50 A HA -0.056 4.278 4.320 0.024 0.000 0.215 50 A C 0.865 178.454 177.584 0.009 0.000 1.181 50 A CA 1.564 53.606 52.037 0.009 0.000 0.620 50 A CB 0.006 19.010 19.000 0.008 0.000 0.821 50 A HN 0.682 nan 8.150 nan 0.000 0.443 51 S N -3.425 112.280 115.700 0.009 0.000 2.697 51 S HA 0.706 5.190 4.470 0.024 0.000 0.289 51 S C -0.175 174.431 174.600 0.009 0.000 1.149 51 S CA -0.020 58.185 58.200 0.009 0.000 0.850 51 S CB 1.280 64.485 63.200 0.009 0.000 1.151 51 S HN 2.113 nan 8.310 nan 0.000 0.491 52 G N 0.928 109.734 108.800 0.010 0.000 2.576 52 G HA2 0.123 4.098 3.960 0.024 0.000 0.686 52 G HA3 0.123 4.098 3.960 0.024 0.000 0.686 52 G C -2.339 172.567 174.900 0.010 0.000 1.242 52 G CA -0.247 44.858 45.100 0.010 0.000 0.819 52 G HN 0.624 nan 8.290 nan 0.000 0.655 53 P HA -0.022 nan 4.420 nan 0.000 0.220 53 P C 1.499 178.802 177.300 0.006 0.000 1.148 53 P CA 1.001 64.107 63.100 0.010 0.000 0.803 53 P CB 0.196 31.903 31.700 0.012 0.000 0.782 54 L N -0.248 120.977 121.223 0.004 0.000 2.700 54 L HA 0.189 4.544 4.340 0.024 0.000 0.234 54 L C 1.225 178.097 176.870 0.004 0.000 1.156 54 L CA -0.580 54.260 54.840 0.001 0.000 0.946 54 L CB -0.423 41.634 42.059 -0.002 0.000 1.216 54 L HN -0.020 nan 8.230 nan 0.000 0.493 55 R N 0.239 120.743 120.500 0.006 0.000 2.522 55 R HA 0.288 4.643 4.340 0.024 0.000 0.284 55 R C 0.894 177.198 176.300 0.007 0.000 1.032 55 R CA 0.680 56.785 56.100 0.008 0.000 1.049 55 R CB 0.074 30.380 30.300 0.009 0.000 0.956 55 R HN 0.176 nan 8.270 nan 0.000 0.422 56 G N 2.549 111.354 108.800 0.008 0.000 2.176 56 G HA2 -0.210 3.765 3.960 0.024 0.000 0.253 56 G HA3 -0.210 3.765 3.960 0.024 0.000 0.253 56 G C -0.008 174.892 174.900 -0.001 0.000 0.979 56 G CA 0.004 45.108 45.100 0.007 0.000 0.641 56 G HN 0.554 nan 8.290 nan 0.000 0.530 57 I N 1.886 122.455 120.570 -0.002 0.000 2.297 57 I HA 0.627 4.811 4.170 0.024 0.000 0.291 57 I C 0.882 176.993 176.117 -0.010 0.000 1.033 57 I CA -1.006 60.290 61.300 -0.007 0.000 1.253 57 I CB 0.505 38.502 38.000 -0.006 0.000 1.396 57 I HN 0.345 nan 8.210 nan 0.000 0.476 58 A N 7.288 130.094 122.820 -0.023 0.000 2.366 58 A HA 0.624 4.959 4.320 0.024 0.000 0.272 58 A C -0.162 177.420 177.584 -0.003 0.000 1.135 58 A CA -0.312 51.706 52.037 -0.032 0.000 0.804 58 A CB 0.524 19.469 19.000 -0.092 0.000 1.064 58 A HN 0.475 nan 8.150 nan 0.000 0.499 59 V N 2.253 122.179 119.914 0.019 0.000 2.588 59 V HA 0.659 4.793 4.120 0.024 0.000 0.304 59 V C 0.767 176.905 176.094 0.073 0.000 1.042 59 V CA -0.293 62.030 62.300 0.039 0.000 0.877 59 V CB 1.730 33.571 31.823 0.029 0.000 0.996 59 V HN 1.136 nan 8.190 nan 0.000 0.425 60 G N 4.487 113.331 108.800 0.074 0.000 2.377 60 G HA2 0.670 4.644 3.960 0.024 0.000 0.299 60 G HA3 0.670 4.644 3.960 0.024 0.000 0.299 60 G C -0.766 174.142 174.900 0.013 0.000 1.150 60 G CA -0.426 44.716 45.100 0.071 0.000 0.847 60 G HN 0.459 nan 8.290 nan 0.000 0.501 61 I N 1.736 122.315 120.570 0.016 0.000 2.418 61 I HA 0.351 4.535 4.170 0.024 0.000 0.287 61 I C 0.824 176.932 176.117 -0.015 0.000 1.008 61 I CA -1.233 60.076 61.300 0.015 0.000 1.104 61 I CB 0.980 39.004 38.000 0.041 0.000 1.264 61 I HN 0.591 nan 8.210 nan 0.000 0.438 62 A N 4.147 126.961 122.820 -0.010 0.000 2.567 62 A HA -0.055 4.280 4.320 0.024 0.000 0.240 62 A C 0.840 178.420 177.584 -0.006 0.000 1.053 62 A CA 0.130 52.155 52.037 -0.020 0.000 0.755 62 A CB -0.238 18.777 19.000 0.025 0.000 0.978 62 A HN 0.739 nan 8.150 nan 0.000 0.507 63 D N 1.434 121.821 120.400 -0.023 0.000 2.396 63 D HA 0.042 4.696 4.640 0.024 0.000 0.255 63 D C 0.999 177.289 176.300 -0.017 0.000 1.224 63 D CA 0.906 54.901 54.000 -0.009 0.000 0.894 63 D CB -0.416 40.377 40.800 -0.012 0.000 0.939 63 D HN 0.589 nan 8.370 nan 0.000 0.506 64 I N -3.382 117.182 120.570 -0.009 0.000 4.154 64 I HA 0.307 4.492 4.170 0.024 0.000 0.334 64 I C 0.109 176.244 176.117 0.029 0.000 1.371 64 I CA -0.297 60.994 61.300 -0.016 0.000 1.110 64 I CB 0.326 38.317 38.000 -0.015 0.000 1.085 64 I HN -0.230 nan 8.210 nan 0.000 0.398 65 I N 2.822 123.416 120.570 0.040 0.000 2.312 65 I HA 0.254 4.438 4.170 0.024 0.000 0.290 65 I C -0.434 175.718 176.117 0.058 0.000 1.008 65 I CA -0.500 60.831 61.300 0.052 0.000 1.226 65 I CB 0.747 38.775 38.000 0.047 0.000 1.371 65 I HN 0.010 nan 8.210 nan 0.000 0.468 66 D N 4.937 125.379 120.400 0.070 0.000 2.488 66 D HA 0.133 4.787 4.640 0.024 0.000 0.238 66 D C 0.147 176.472 176.300 0.041 0.000 1.138 66 D CA 0.650 54.693 54.000 0.071 0.000 0.873 66 D CB 0.817 41.666 40.800 0.082 0.000 1.183 66 D HN 0.567 nan 8.370 nan 0.000 0.458 67 T N -1.891 112.678 114.554 0.024 0.000 2.916 67 T HA 0.637 5.002 4.350 0.024 0.000 0.298 67 T C 0.577 175.264 174.700 -0.021 0.000 1.031 67 T CA -0.909 61.197 62.100 0.010 0.000 0.993 67 T CB 1.936 70.817 68.868 0.020 0.000 1.045 67 T HN 0.159 nan 8.240 nan 0.000 0.454 68 A N 2.190 124.996 122.820 -0.023 0.000 2.081 68 A HA 0.095 4.429 4.320 0.024 0.000 0.214 68 A C 1.915 179.469 177.584 -0.051 0.000 1.158 68 A CA 0.658 52.666 52.037 -0.047 0.000 0.724 68 A CB -0.423 18.556 19.000 -0.033 0.000 0.826 68 A HN 0.893 nan 8.150 nan 0.000 0.463 69 N N -1.129 117.554 118.700 -0.029 0.000 2.236 69 N HA 0.183 4.937 4.740 0.024 0.000 0.196 69 N C 0.029 175.527 175.510 -0.019 0.000 1.114 69 N CA 0.125 53.160 53.050 -0.024 0.000 0.859 69 N CB 0.169 38.651 38.487 -0.008 0.000 0.982 69 N HN 0.410 nan 8.380 nan 0.000 0.493 70 M N 0.017 119.606 119.600 -0.018 0.000 2.531 70 M HA 0.459 4.953 4.480 0.024 0.000 0.286 70 M C -2.840 173.449 176.300 -0.019 0.000 1.232 70 M CA -1.921 53.377 55.300 -0.004 0.000 0.877 70 M CB 3.015 35.633 32.600 0.030 0.000 1.726 70 M HN -0.310 nan 8.290 nan 0.000 0.463 71 P HA 0.125 nan 4.420 nan 0.000 0.271 71 P C -0.925 176.400 177.300 0.042 0.000 1.233 71 P CA -0.052 63.045 63.100 -0.005 0.000 0.789 71 P CB 0.489 32.208 31.700 0.033 0.000 0.951 72 T N 1.270 115.881 114.554 0.095 0.000 3.068 72 T HA 0.167 4.531 4.350 0.024 0.000 0.364 72 T C 0.321 175.174 174.700 0.254 0.000 1.161 72 T CA -0.311 61.880 62.100 0.152 0.000 1.155 72 T CB 0.142 69.113 68.868 0.171 0.000 1.060 72 T HN 0.339 nan 8.240 nan 0.000 0.513 73 E N 3.106 123.396 120.200 0.150 0.000 2.489 73 E HA 0.057 4.421 4.350 0.024 0.000 0.193 73 E C 0.787 177.379 176.600 -0.013 0.000 1.057 73 E CA -0.150 56.338 56.400 0.146 0.000 0.866 73 E CB -0.006 29.759 29.700 0.108 0.000 0.916 73 E HN 0.495 nan 8.360 nan 0.000 0.500 74 M N -1.026 118.499 119.600 -0.125 0.000 2.797 74 M HA -0.257 4.238 4.480 0.024 0.000 0.171 74 M C 1.132 177.185 176.300 -0.412 0.000 0.647 74 M CA 1.409 56.504 55.300 -0.343 0.000 0.598 74 M CB -2.839 29.357 32.600 -0.673 0.000 2.180 74 M HN 0.470 nan 8.290 nan 0.000 0.429 75 G N 0.132 108.792 108.800 -0.232 0.000 2.153 75 G HA2 -0.244 3.730 3.960 0.024 0.000 0.252 75 G HA3 -0.244 3.730 3.960 0.024 0.000 0.252 75 G C 0.084 174.833 174.900 -0.251 0.000 0.994 75 G CA 1.087 46.064 45.100 -0.205 0.000 0.698 75 G HN 1.141 nan 8.290 nan 0.000 0.521 76 S N -1.021 114.514 115.700 -0.274 0.000 2.548 76 S HA 0.592 5.077 4.470 0.024 0.000 0.286 76 S C 1.232 175.826 174.600 -0.010 0.000 1.098 76 S CA 0.391 58.475 58.200 -0.194 0.000 0.930 76 S CB 1.285 64.236 63.200 -0.414 0.000 1.070 76 S HN 0.400 nan 8.310 nan 0.000 0.480 77 E N 3.189 123.403 120.200 0.022 0.000 2.204 77 E HA -0.079 4.286 4.350 0.024 0.000 0.194 77 E C 1.488 178.123 176.600 0.058 0.000 0.989 77 E CA 0.977 57.403 56.400 0.043 0.000 0.824 77 E CB -0.356 29.363 29.700 0.033 0.000 0.756 77 E HN 0.722 nan 8.360 nan 0.000 0.477 78 I N 0.251 120.874 120.570 0.088 0.000 2.335 78 I HA -0.257 3.927 4.170 0.024 0.000 0.251 78 I C 1.052 177.104 176.117 -0.108 0.000 1.129 78 I CA 1.223 62.522 61.300 -0.002 0.000 1.402 78 I CB -0.112 37.963 38.000 0.126 0.000 1.069 78 I HN 0.114 nan 8.210 nan 0.000 0.424 79 Y N 0.557 120.869 120.300 0.020 0.000 2.756 79 Y HA 0.270 4.835 4.550 0.025 0.000 0.300 79 Y C 0.938 176.913 175.900 0.126 0.000 1.113 79 Y CA -0.589 57.545 58.100 0.057 0.000 1.291 79 Y CB -0.275 38.194 38.460 0.015 0.000 1.175 79 Y HN -0.000 nan 8.280 nan 0.000 0.534 80 R N 0.505 121.106 120.500 0.168 0.000 2.522 80 R HA 0.221 4.576 4.340 0.024 0.000 0.284 80 R C 1.286 177.685 176.300 0.164 0.000 1.032 80 R CA 1.291 57.474 56.100 0.139 0.000 1.049 80 R CB -0.022 30.327 30.300 0.083 0.000 0.956 80 R HN 0.684 nan 8.270 nan 0.000 0.422 81 G N 4.261 113.153 108.800 0.153 0.000 2.189 81 G HA2 -0.299 3.675 3.960 0.024 0.000 0.267 81 G HA3 -0.299 3.675 3.960 0.024 0.000 0.267 81 G C 0.132 175.136 174.900 0.173 0.000 0.975 81 G CA 0.297 45.474 45.100 0.128 0.000 0.644 81 G HN 0.824 nan 8.290 nan 0.000 0.537 82 W N 1.376 122.721 121.300 0.075 0.000 2.347 82 W HA 0.475 5.149 4.660 0.024 0.000 0.333 82 W C 0.053 176.618 176.519 0.076 0.000 1.383 82 W CA 0.430 57.832 57.345 0.095 0.000 1.283 82 W CB 0.585 30.176 29.460 0.219 0.000 1.253 82 W HN 0.224 nan 8.180 nan 0.000 0.563 83 Q N 8.214 127.475 119.800 -0.899 0.000 2.401 83 Q HA 0.393 4.747 4.340 0.024 0.000 0.260 83 Q C -2.453 172.926 176.000 -1.035 0.000 1.034 83 Q CA -2.106 53.245 55.803 -0.753 0.000 0.737 83 Q CB 1.397 29.903 28.738 -0.386 0.000 1.227 83 Q HN 0.143 nan 8.270 nan 0.000 0.488 84 P HA 0.156 nan 4.420 nan 0.000 0.270 84 P C -0.270 176.872 177.300 -0.263 0.000 1.223 84 P CA -0.186 62.666 63.100 -0.413 0.000 0.785 84 P CB 0.874 32.516 31.700 -0.096 0.000 0.923 85 R N 0.878 121.289 120.500 -0.149 0.000 2.173 85 R HA 0.069 4.424 4.340 0.024 0.000 0.208 85 R C 0.351 176.618 176.300 -0.054 0.000 1.035 85 R CA 0.757 56.798 56.100 -0.098 0.000 1.004 85 R CB 0.058 30.322 30.300 -0.059 0.000 0.917 85 R HN 0.628 nan 8.270 nan 0.000 0.462 86 S N -0.821 114.863 115.700 -0.028 0.000 2.638 86 S HA 0.424 4.909 4.470 0.024 0.000 0.302 86 S C -1.068 173.533 174.600 0.000 0.000 1.096 86 S CA -1.174 57.021 58.200 -0.008 0.000 0.953 86 S CB 1.963 65.168 63.200 0.008 0.000 1.107 86 S HN -0.005 nan 8.310 nan 0.000 0.503 87 D N 1.157 121.560 120.400 0.005 0.000 2.210 87 D HA 0.539 5.193 4.640 0.024 0.000 0.249 87 D C 0.270 176.583 176.300 0.021 0.000 1.062 87 D CA -0.033 53.974 54.000 0.013 0.000 0.891 87 D CB 1.694 42.500 40.800 0.010 0.000 1.186 87 D HN 0.816 nan 8.370 nan 0.000 0.432 88 A N 3.593 126.430 122.820 0.029 0.000 2.425 88 A HA 0.232 4.566 4.320 0.024 0.000 0.242 88 A C -1.392 176.206 177.584 0.023 0.000 1.077 88 A CA -0.785 51.271 52.037 0.032 0.000 0.781 88 A CB 0.153 19.177 19.000 0.040 0.000 1.020 88 A HN 0.332 nan 8.150 nan 0.000 0.494 89 P HA -0.194 nan 4.420 nan 0.000 0.216 89 P C 1.585 178.891 177.300 0.011 0.000 1.154 89 P CA 2.199 65.308 63.100 0.014 0.000 0.865 89 P CB -0.237 31.470 31.700 0.012 0.000 0.789 90 V N -3.642 116.280 119.914 0.012 0.000 2.515 90 V HA -0.165 3.969 4.120 0.024 0.000 0.250 90 V C 2.078 178.178 176.094 0.010 0.000 1.058 90 V CA 1.741 64.046 62.300 0.007 0.000 1.064 90 V CB -1.743 30.086 31.823 0.010 0.000 0.675 90 V HN -0.050 nan 8.190 nan 0.000 0.461 91 V N -0.251 119.673 119.914 0.017 0.000 2.427 91 V HA -0.164 3.970 4.120 0.024 0.000 0.248 91 V C 2.732 178.834 176.094 0.013 0.000 1.051 91 V CA 2.198 64.508 62.300 0.018 0.000 1.048 91 V CB -0.540 31.297 31.823 0.023 0.000 0.666 91 V HN 0.401 nan 8.190 nan 0.000 0.456 92 M N -1.076 118.531 119.600 0.012 0.000 2.175 92 M HA -0.092 4.403 4.480 0.024 0.000 0.264 92 M C 2.170 178.474 176.300 0.006 0.000 1.063 92 M CA 1.725 57.031 55.300 0.009 0.000 1.119 92 M CB -0.945 31.661 32.600 0.009 0.000 1.377 92 M HN 0.320 nan 8.290 nan 0.000 0.415 93 M N -0.493 119.109 119.600 0.003 0.000 2.149 93 M HA -0.222 4.273 4.480 0.024 0.000 0.261 93 M C 2.086 178.384 176.300 -0.003 0.000 1.064 93 M CA 1.419 56.718 55.300 -0.002 0.000 1.102 93 M CB -0.513 32.081 32.600 -0.009 0.000 1.369 93 M HN 0.206 nan 8.290 nan 0.000 0.408 94 L N -0.221 121.001 121.223 -0.001 0.000 2.007 94 L HA -0.179 4.176 4.340 0.024 0.000 0.205 94 L C 2.536 179.409 176.870 0.004 0.000 1.073 94 L CA 1.283 56.123 54.840 -0.000 0.000 0.744 94 L CB -0.669 41.392 42.059 0.005 0.000 0.898 94 L HN 0.216 nan 8.230 nan 0.000 0.435 95 K N 0.143 120.548 120.400 0.008 0.000 2.044 95 K HA -0.213 4.121 4.320 0.024 0.000 0.210 95 K C 2.227 178.832 176.600 0.008 0.000 1.049 95 K CA 1.529 57.822 56.287 0.010 0.000 0.927 95 K CB -0.268 32.239 32.500 0.011 0.000 0.713 95 K HN 0.273 nan 8.250 nan 0.000 0.443 96 R N 0.282 120.786 120.500 0.007 0.000 2.105 96 R HA -0.093 4.261 4.340 0.024 0.000 0.239 96 R C 2.096 178.399 176.300 0.006 0.000 1.135 96 R CA 1.224 57.328 56.100 0.007 0.000 0.967 96 R CB -0.264 30.040 30.300 0.006 0.000 0.861 96 R HN 0.183 nan 8.270 nan 0.000 0.442 97 A N -0.151 122.672 122.820 0.005 0.000 2.238 97 A HA 0.209 4.543 4.320 0.024 0.000 0.208 97 A C 1.355 178.942 177.584 0.005 0.000 1.177 97 A CA 0.816 52.856 52.037 0.004 0.000 0.804 97 A CB -0.036 18.964 19.000 -0.000 0.000 0.823 97 A HN 0.476 nan 8.150 nan 0.000 0.482 98 G N -2.179 106.625 108.800 0.007 0.000 2.176 98 G HA2 0.105 4.079 3.960 0.024 0.000 0.232 98 G HA3 0.105 4.079 3.960 0.024 0.000 0.232 98 G C 0.501 175.406 174.900 0.008 0.000 0.986 98 G CA 0.252 45.357 45.100 0.008 0.000 0.643 98 G HN 1.524 nan 8.290 nan 0.000 0.522 99 A N -0.280 122.545 122.820 0.007 0.000 2.386 99 A HA 0.674 5.009 4.320 0.024 0.000 0.246 99 A C 0.639 178.231 177.584 0.013 0.000 1.089 99 A CA 1.254 53.295 52.037 0.008 0.000 0.790 99 A CB 0.407 19.411 19.000 0.006 0.000 1.042 99 A HN 0.796 nan 8.150 nan 0.000 0.497 100 T N 2.313 116.875 114.554 0.014 0.000 2.770 100 T HA 0.399 4.764 4.350 0.024 0.000 0.283 100 T C -0.134 174.581 174.700 0.025 0.000 0.988 100 T CA -0.206 61.907 62.100 0.021 0.000 0.957 100 T CB 0.397 69.276 68.868 0.018 0.000 0.930 100 T HN 0.365 nan 8.240 nan 0.000 0.443 101 I N 4.788 125.380 120.570 0.037 0.000 2.311 101 I HA 0.202 4.386 4.170 0.024 0.000 0.297 101 I C 1.279 177.437 176.117 0.068 0.000 1.131 101 I CA -0.145 61.186 61.300 0.051 0.000 1.289 101 I CB -0.163 37.867 38.000 0.049 0.000 1.446 101 I HN 0.746 nan 8.210 nan 0.000 0.524 102 I N 4.358 124.969 120.570 0.068 0.000 3.251 102 I HA 0.149 4.333 4.170 0.024 0.000 0.277 102 I C 0.931 177.136 176.117 0.147 0.000 1.268 102 I CA 0.419 61.758 61.300 0.064 0.000 1.449 102 I CB 0.418 38.371 38.000 -0.078 0.000 1.083 102 I HN 0.706 nan 8.210 nan 0.000 0.464 103 G N 0.253 109.184 108.800 0.219 0.000 2.313 103 G HA2 0.173 4.147 3.960 0.024 0.000 0.296 103 G HA3 0.173 4.147 3.960 0.024 0.000 0.296 103 G C -1.813 173.274 174.900 0.311 0.000 1.356 103 G CA -0.822 44.468 45.100 0.315 0.000 0.833 103 G HN -0.184 nan 8.290 nan 0.000 0.552 104 K N 1.391 121.960 120.400 0.281 0.000 2.235 104 K HA 0.620 4.954 4.320 0.024 0.000 0.266 104 K C 0.248 176.860 176.600 0.020 0.000 0.980 104 K CA -0.491 55.869 56.287 0.121 0.000 0.849 104 K CB 1.410 33.965 32.500 0.092 0.000 1.098 104 K HN 0.865 nan 8.250 nan 0.000 0.445 105 T N -1.507 112.940 114.554 -0.180 0.000 2.909 105 T HA 0.254 4.618 4.350 0.024 0.000 0.286 105 T C 0.556 175.142 174.700 -0.191 0.000 1.002 105 T CA -0.787 61.085 62.100 -0.380 0.000 1.074 105 T CB 0.704 69.263 68.868 -0.516 0.000 0.984 105 T HN 0.558 nan 8.240 nan 0.000 0.495 106 T N 0.052 114.502 114.554 -0.173 0.000 2.937 106 T HA 0.372 4.736 4.350 0.024 0.000 0.316 106 T C 0.198 174.845 174.700 -0.089 0.000 1.079 106 T CA -0.466 61.577 62.100 -0.095 0.000 1.131 106 T CB 0.500 69.329 68.868 -0.064 0.000 1.000 106 T HN 0.957 nan 8.240 nan 0.000 0.549 107 T N 1.501 116.015 114.554 -0.067 0.000 2.909 107 T HA 0.567 4.931 4.350 0.024 0.000 0.299 107 T C 0.100 174.764 174.700 -0.060 0.000 1.073 107 T CA -0.426 61.643 62.100 -0.052 0.000 0.999 107 T CB 1.318 70.156 68.868 -0.050 0.000 1.098 107 T HN 1.117 nan 8.240 nan 0.000 0.477 108 T N 2.032 116.565 114.554 -0.034 0.000 2.903 108 T HA 0.500 4.864 4.350 0.024 0.000 0.314 108 T C 0.825 175.466 174.700 -0.099 0.000 1.078 108 T CA -0.314 61.763 62.100 -0.039 0.000 1.114 108 T CB 0.166 69.036 68.868 0.004 0.000 0.987 108 T HN 1.034 nan 8.240 nan 0.000 0.548 109 A N 2.429 125.173 122.820 -0.127 0.000 2.563 109 A HA 0.354 4.688 4.320 0.024 0.000 0.256 109 A C 0.632 178.084 177.584 -0.220 0.000 1.056 109 A CA -0.346 51.532 52.037 -0.266 0.000 0.775 109 A CB -1.496 17.416 19.000 -0.146 0.000 0.973 109 A HN 1.101 nan 8.150 nan 0.000 0.516 110 F N 0.295 120.158 119.950 -0.145 0.000 3.084 110 F HA -0.273 4.269 4.527 0.024 0.000 0.286 110 F C 1.363 177.013 175.800 -0.252 0.000 0.855 110 F CA 1.322 59.190 58.000 -0.220 0.000 1.091 110 F CB -1.980 36.840 39.000 -0.300 0.000 1.177 110 F HN 1.890 nan 8.300 nan 0.000 0.542 111 A N -1.090 121.703 122.820 -0.045 0.000 2.869 111 A HA -0.133 4.201 4.320 0.024 0.000 0.280 111 A C 1.007 178.632 177.584 0.069 0.000 1.458 111 A CA 1.224 53.286 52.037 0.043 0.000 0.776 111 A CB -1.689 17.396 19.000 0.141 0.000 1.028 111 A HN 0.839 nan 8.150 nan 0.000 0.547 112 S N -1.345 114.340 115.700 -0.026 0.000 2.869 112 S HA 0.605 5.089 4.470 0.024 0.000 0.237 112 S C 1.462 176.114 174.600 0.086 0.000 1.077 112 S CA 0.041 58.266 58.200 0.041 0.000 1.140 112 S CB 0.441 63.578 63.200 -0.106 0.000 1.187 112 S HN 0.565 nan 8.310 nan 0.000 0.571 113 R N 0.616 121.162 120.500 0.077 0.000 2.312 113 R HA 0.244 4.598 4.340 0.024 0.000 0.205 113 R C -0.553 175.778 176.300 0.050 0.000 0.904 113 R CA 0.054 56.198 56.100 0.073 0.000 1.052 113 R CB -0.154 30.192 30.300 0.076 0.000 1.014 113 R HN 0.509 nan 8.270 nan 0.000 0.503 114 D N 3.779 124.198 120.400 0.032 0.000 2.363 114 D HA 0.096 4.751 4.640 0.024 0.000 0.263 114 D C -2.277 174.033 176.300 0.015 0.000 1.258 114 D CA -1.058 52.954 54.000 0.020 0.000 0.907 114 D CB 1.094 41.900 40.800 0.010 0.000 1.107 114 D HN -0.102 nan 8.370 nan 0.000 0.495 115 P HA -0.073 nan 4.420 nan 0.000 0.265 115 P C 0.351 177.654 177.300 0.005 0.000 1.187 115 P CA 0.216 63.329 63.100 0.021 0.000 0.766 115 P CB 0.566 32.280 31.700 0.023 0.000 0.820 116 T N -0.642 113.915 114.554 0.005 0.000 2.880 116 T HA 0.549 4.914 4.350 0.024 0.000 0.279 116 T C 1.090 175.788 174.700 -0.003 0.000 0.990 116 T CA -0.215 61.881 62.100 -0.007 0.000 0.938 116 T CB 0.831 69.692 68.868 -0.010 0.000 1.206 116 T HN 0.223 nan 8.240 nan 0.000 0.573 117 A N 0.019 122.831 122.820 -0.013 0.000 2.251 117 A HA 0.311 4.646 4.320 0.024 0.000 0.209 117 A C 1.206 178.807 177.584 0.029 0.000 1.187 117 A CA -0.178 51.841 52.037 -0.029 0.000 0.823 117 A CB -0.999 17.941 19.000 -0.101 0.000 0.846 117 A HN 0.836 nan 8.150 nan 0.000 0.486 118 T N 1.275 115.862 114.554 0.053 0.000 2.940 118 T HA 0.390 4.755 4.350 0.024 0.000 0.309 118 T C -0.040 174.713 174.700 0.090 0.000 1.056 118 T CA 0.601 62.753 62.100 0.087 0.000 1.137 118 T CB 0.397 69.281 68.868 0.026 0.000 0.976 118 T HN 0.248 nan 8.240 nan 0.000 0.547 119 L N 2.672 123.959 121.223 0.108 0.000 2.319 119 L HA 0.473 4.827 4.340 0.024 0.000 0.267 119 L C 0.675 177.585 176.870 0.067 0.000 1.011 119 L CA -1.232 53.663 54.840 0.091 0.000 0.818 119 L CB 1.186 43.311 42.059 0.110 0.000 1.316 119 L HN 0.521 nan 8.230 nan 0.000 0.432 120 N N 1.953 120.705 118.700 0.087 0.000 2.452 120 N HA 0.102 4.857 4.740 0.024 0.000 0.266 120 N C -1.982 173.567 175.510 0.066 0.000 1.175 120 N CA -1.339 51.771 53.050 0.100 0.000 0.945 120 N CB 1.751 40.318 38.487 0.132 0.000 1.063 120 N HN 0.282 nan 8.380 nan 0.000 0.472 121 P HA -0.118 nan 4.420 nan 0.000 0.218 121 P C 0.765 177.981 177.300 -0.140 0.000 1.148 121 P CA 1.319 64.365 63.100 -0.090 0.000 0.822 121 P CB 0.117 31.717 31.700 -0.166 0.000 0.784 122 H N -2.623 116.443 119.070 -0.007 0.000 2.502 122 H HA 0.114 4.685 4.556 0.024 0.000 0.283 122 H C 0.515 175.826 175.328 -0.028 0.000 1.015 122 H CA 0.906 56.941 56.048 -0.022 0.000 1.298 122 H CB 0.123 29.864 29.762 -0.034 0.000 1.411 122 H HN 0.142 nan 8.280 nan 0.000 0.556 123 N N -0.156 118.601 118.700 0.095 0.000 2.976 123 N HA -0.038 4.716 4.740 0.024 0.000 0.249 123 N C 0.146 175.730 175.510 0.124 0.000 1.258 123 N CA 0.008 53.108 53.050 0.083 0.000 0.864 123 N CB 0.857 39.363 38.487 0.032 0.000 1.551 123 N HN -0.179 nan 8.380 nan 0.000 0.607 124 T N 0.713 115.318 114.554 0.085 0.000 2.918 124 T HA -0.086 4.278 4.350 0.024 0.000 0.271 124 T C 1.506 176.259 174.700 0.088 0.000 1.104 124 T CA 1.771 63.917 62.100 0.077 0.000 1.114 124 T CB -0.033 68.865 68.868 0.050 0.000 0.855 124 T HN 0.597 nan 8.240 nan 0.000 0.518 125 G N -0.337 108.535 108.800 0.119 0.000 2.985 125 G HA2 0.044 4.019 3.960 0.024 0.000 0.209 125 G HA3 0.044 4.019 3.960 0.024 0.000 0.209 125 G C 0.348 175.203 174.900 -0.074 0.000 1.165 125 G CA -0.125 45.002 45.100 0.046 0.000 0.776 125 G HN 0.475 nan 8.290 nan 0.000 0.541 126 H N -0.534 118.533 119.070 -0.004 0.000 2.670 126 H HA 0.408 4.978 4.556 0.024 0.000 0.361 126 H C -0.550 174.770 175.328 -0.014 0.000 1.169 126 H CA -0.611 55.420 56.048 -0.028 0.000 1.198 126 H CB 2.031 31.758 29.762 -0.059 0.000 1.700 126 H HN 0.100 nan 8.280 nan 0.000 0.542 127 S N 1.689 117.429 115.700 0.066 0.000 2.580 127 S HA 0.082 4.567 4.470 0.024 0.000 0.274 127 S C -1.610 173.061 174.600 0.118 0.000 1.329 127 S CA -1.206 57.037 58.200 0.073 0.000 1.036 127 S CB 0.661 63.902 63.200 0.067 0.000 0.919 127 S HN 0.539 nan 8.310 nan 0.000 0.515 128 P HA 0.270 nan 4.420 nan 0.000 0.261 128 P C 0.695 178.191 177.300 0.327 0.000 1.268 128 P CA 0.508 63.728 63.100 0.199 0.000 0.833 128 P CB -0.377 31.380 31.700 0.096 0.000 1.231 129 G N -0.786 108.243 108.800 0.382 0.000 2.710 129 G HA2 0.205 4.180 3.960 0.024 0.000 0.668 129 G HA3 0.205 4.180 3.960 0.024 0.000 0.668 129 G C -0.407 174.588 174.900 0.159 0.000 1.320 129 G CA -0.672 44.643 45.100 0.358 0.000 0.860 129 G HN 0.534 nan 8.290 nan 0.000 0.538 130 G N -2.131 106.736 108.800 0.110 0.000 2.766 130 G HA2 0.808 4.782 3.960 0.024 0.000 0.288 130 G HA3 0.808 4.782 3.960 0.024 0.000 0.288 130 G C 0.968 175.927 174.900 0.098 0.000 1.408 130 G CA 0.820 45.975 45.100 0.092 0.000 0.852 130 G HN 2.030 nan 8.290 nan 0.000 0.487 131 S N -1.314 114.454 115.700 0.113 0.000 2.458 131 S HA 0.056 4.541 4.470 0.024 0.000 0.223 131 S C 1.229 175.870 174.600 0.068 0.000 1.019 131 S CA 0.841 59.097 58.200 0.093 0.000 0.937 131 S CB 0.119 63.385 63.200 0.110 0.000 0.788 131 S HN 0.327 nan 8.310 nan 0.000 0.511 132 S N 2.705 118.464 115.700 0.099 0.000 3.983 132 S HA 0.314 4.798 4.470 0.024 0.000 0.194 132 S C 1.009 175.564 174.600 -0.076 0.000 1.464 132 S CA -0.361 57.864 58.200 0.041 0.000 1.021 132 S CB -0.113 63.186 63.200 0.165 0.000 1.424 132 S HN 0.501 nan 8.310 nan 0.000 0.473 133 S N 2.246 117.913 115.700 -0.056 0.000 2.359 133 S HA -0.133 4.352 4.470 0.024 0.000 0.224 133 S C 2.315 176.815 174.600 -0.167 0.000 1.035 133 S CA 1.433 59.590 58.200 -0.071 0.000 1.018 133 S CB -0.560 62.629 63.200 -0.018 0.000 0.876 133 S HN 0.758 nan 8.310 nan 0.000 0.448 134 G N 1.033 109.713 108.800 -0.200 0.000 2.408 134 G HA2 -0.144 3.830 3.960 0.024 0.000 0.217 134 G HA3 -0.144 3.830 3.960 0.024 0.000 0.217 134 G C 1.564 176.205 174.900 -0.432 0.000 1.150 134 G CA 1.044 45.965 45.100 -0.299 0.000 0.776 134 G HN 0.519 nan 8.290 nan 0.000 0.542 135 S N 0.976 116.392 115.700 -0.473 0.000 2.355 135 S HA 0.012 4.497 4.470 0.024 0.000 0.222 135 S C 2.804 176.894 174.600 -0.851 0.000 1.031 135 S CA 1.180 59.016 58.200 -0.606 0.000 0.993 135 S CB -0.368 62.506 63.200 -0.543 0.000 0.859 135 S HN 0.574 nan 8.310 nan 0.000 0.453 136 A N 1.671 123.848 122.820 -1.071 0.000 1.858 136 A HA 0.104 4.438 4.320 0.024 0.000 0.216 136 A C 2.373 179.772 177.584 -0.308 0.000 1.190 136 A CA 1.773 53.326 52.037 -0.808 0.000 0.617 136 A CB -1.202 17.533 19.000 -0.441 0.000 0.827 136 A HN 0.512 nan 8.150 nan 0.000 0.443 137 A N -0.200 122.483 122.820 -0.228 0.000 1.902 137 A HA 0.166 4.500 4.320 0.024 0.000 0.217 137 A C 2.520 180.030 177.584 -0.122 0.000 1.181 137 A CA 2.158 54.127 52.037 -0.114 0.000 0.623 137 A CB -1.073 17.877 19.000 -0.083 0.000 0.818 137 A HN 1.091 nan 8.150 nan 0.000 0.443 138 A N -0.648 122.061 122.820 -0.185 0.000 1.908 138 A HA -0.022 4.312 4.320 0.024 0.000 0.218 138 A C 2.235 179.775 177.584 -0.074 0.000 1.181 138 A CA 1.889 53.858 52.037 -0.114 0.000 0.627 138 A CB -0.881 17.997 19.000 -0.203 0.000 0.818 138 A HN 0.394 nan 8.150 nan 0.000 0.445 139 V N -0.294 119.554 119.914 -0.110 0.000 2.379 139 V HA -0.121 4.013 4.120 0.024 0.000 0.245 139 V C 2.784 178.866 176.094 -0.019 0.000 1.044 139 V CA 1.811 64.086 62.300 -0.041 0.000 1.036 139 V CB -1.271 30.549 31.823 -0.004 0.000 0.664 139 V HN 0.613 nan 8.190 nan 0.000 0.453 140 G N -0.400 108.386 108.800 -0.023 0.000 2.448 140 G HA2 -0.138 3.836 3.960 0.024 0.000 0.219 140 G HA3 -0.138 3.836 3.960 0.024 0.000 0.219 140 G C 1.478 176.329 174.900 -0.082 0.000 1.127 140 G CA 0.859 45.961 45.100 0.005 0.000 0.766 140 G HN 0.616 nan 8.290 nan 0.000 0.552 141 A N -0.291 122.481 122.820 -0.080 0.000 2.251 141 A HA 0.480 4.815 4.320 0.024 0.000 0.209 141 A C 1.944 179.489 177.584 -0.065 0.000 1.187 141 A CA 1.177 53.159 52.037 -0.092 0.000 0.823 141 A CB -0.431 18.527 19.000 -0.070 0.000 0.846 141 A HN 1.539 nan 8.150 nan 0.000 0.486 142 G N -0.911 107.861 108.800 -0.046 0.000 2.176 142 G HA2 -0.328 3.646 3.960 0.024 0.000 0.252 142 G HA3 -0.328 3.646 3.960 0.024 0.000 0.252 142 G C 0.726 175.610 174.900 -0.028 0.000 1.024 142 G CA 0.733 45.813 45.100 -0.033 0.000 0.755 142 G HN 0.412 nan 8.290 nan 0.000 0.507 143 M N -0.623 118.967 119.600 -0.016 0.000 2.287 143 M HA 0.301 4.795 4.480 0.024 0.000 0.266 143 M C 1.411 177.701 176.300 -0.015 0.000 1.079 143 M CA 1.462 56.755 55.300 -0.012 0.000 1.146 143 M CB 0.072 32.703 32.600 0.051 0.000 1.374 143 M HN 0.561 nan 8.290 nan 0.000 0.435 144 I N -3.631 116.943 120.570 0.006 0.000 2.894 144 I HA 0.377 4.562 4.170 0.024 0.000 0.302 144 I C -2.395 173.723 176.117 0.002 0.000 1.188 144 I CA -2.158 59.145 61.300 0.004 0.000 1.014 144 I CB 1.928 39.956 38.000 0.046 0.000 1.242 144 I HN -0.230 nan 8.210 nan 0.000 0.430 145 P HA 0.121 nan 4.420 nan 0.000 0.231 145 P C -0.131 177.175 177.300 0.010 0.000 1.168 145 P CA 0.654 63.752 63.100 -0.003 0.000 0.779 145 P CB 0.845 32.538 31.700 -0.011 0.000 0.844 146 L N -0.858 120.377 121.223 0.020 0.000 2.506 146 L HA 0.753 5.107 4.340 0.024 0.000 0.257 146 L C -1.873 175.029 176.870 0.054 0.000 0.964 146 L CA -0.931 53.932 54.840 0.038 0.000 0.836 146 L CB 2.252 44.321 42.059 0.016 0.000 1.384 146 L HN -0.087 nan 8.230 nan 0.000 0.410 147 A N 3.968 126.851 122.820 0.104 0.000 2.547 147 A HA 0.747 5.082 4.320 0.024 0.000 0.297 147 A C -1.969 175.742 177.584 0.212 0.000 1.056 147 A CA -0.511 51.589 52.037 0.106 0.000 0.688 147 A CB 1.285 20.291 19.000 0.010 0.000 1.282 147 A HN 0.625 nan 8.150 nan 0.000 0.400 148 L N 1.865 123.172 121.223 0.141 0.000 2.307 148 L HA 0.741 5.096 4.340 0.024 0.000 0.282 148 L C 0.820 177.816 176.870 0.210 0.000 1.051 148 L CA -0.344 54.585 54.840 0.149 0.000 0.804 148 L CB 1.792 43.895 42.059 0.074 0.000 1.197 148 L HN 0.929 nan 8.230 nan 0.000 0.431 149 G N 0.637 109.593 108.800 0.260 0.000 3.015 149 G HA2 0.760 4.734 3.960 0.024 0.000 0.281 149 G HA3 0.760 4.734 3.960 0.024 0.000 0.281 149 G C -0.959 174.040 174.900 0.165 0.000 1.386 149 G CA -0.248 45.035 45.100 0.304 0.000 0.959 149 G HN 0.555 nan 8.290 nan 0.000 0.522 150 T N -2.354 112.296 114.554 0.160 0.000 2.865 150 T HA 0.755 5.120 4.350 0.024 0.000 0.294 150 T C -1.233 173.553 174.700 0.144 0.000 1.119 150 T CA -0.630 61.549 62.100 0.132 0.000 1.007 150 T CB 2.251 71.197 68.868 0.129 0.000 1.225 150 T HN 1.065 nan 8.240 nan 0.000 0.515 151 Q N -0.087 119.802 119.800 0.148 0.000 2.386 151 Q HA 0.555 4.910 4.340 0.024 0.000 0.274 151 Q C -1.344 174.754 176.000 0.163 0.000 1.011 151 Q CA -0.941 54.953 55.803 0.153 0.000 0.867 151 Q CB 1.558 30.374 28.738 0.130 0.000 1.409 151 Q HN 0.730 nan 8.270 nan 0.000 0.395 152 T N 0.661 115.311 114.554 0.159 0.000 3.469 152 T HA 0.208 4.572 4.350 0.024 0.000 0.242 152 T C 1.209 175.977 174.700 0.114 0.000 0.994 152 T CA 0.800 62.954 62.100 0.091 0.000 1.152 152 T CB -0.276 68.619 68.868 0.046 0.000 1.205 152 T HN 0.710 nan 8.240 nan 0.000 0.372 153 G N 0.550 109.421 108.800 0.119 0.000 2.551 153 G HA2 0.435 4.410 3.960 0.024 0.000 0.216 153 G HA3 0.435 4.410 3.960 0.024 0.000 0.216 153 G C 0.819 175.716 174.900 -0.005 0.000 1.137 153 G CA 0.898 46.062 45.100 0.108 0.000 0.798 153 G HN 0.654 nan 8.290 nan 0.000 0.536 154 G N -1.042 107.799 108.800 0.069 0.000 3.392 154 G HA2 0.514 4.489 3.960 0.024 0.000 0.185 154 G HA3 0.514 4.489 3.960 0.024 0.000 0.185 154 G C -0.741 174.223 174.900 0.107 0.000 1.206 154 G CA 0.595 45.733 45.100 0.064 0.000 0.776 154 G HN 0.665 nan 8.290 nan 0.000 0.697 155 S N -1.752 114.010 115.700 0.103 0.000 2.558 155 S HA 0.280 4.765 4.470 0.024 0.000 0.277 155 S C 0.876 175.514 174.600 0.063 0.000 1.143 155 S CA 0.235 58.494 58.200 0.099 0.000 0.865 155 S CB 1.216 64.493 63.200 0.128 0.000 1.102 155 S HN 1.522 nan 8.310 nan 0.000 0.454 156 V N 2.664 122.587 119.914 0.014 0.000 2.828 156 V HA -0.008 4.127 4.120 0.024 0.000 0.260 156 V C 1.910 177.963 176.094 -0.068 0.000 1.101 156 V CA 1.560 63.833 62.300 -0.045 0.000 1.123 156 V CB -1.139 30.415 31.823 -0.448 0.000 0.704 156 V HN 0.756 nan 8.190 nan 0.000 0.493 157 I N 0.529 121.068 120.570 -0.052 0.000 2.264 157 I HA -0.166 4.019 4.170 0.024 0.000 0.248 157 I C 2.769 178.881 176.117 -0.008 0.000 1.111 157 I CA 1.818 63.102 61.300 -0.027 0.000 1.382 157 I CB -0.790 37.217 38.000 0.011 0.000 1.060 157 I HN 0.317 nan 8.210 nan 0.000 0.418 158 R N 0.669 121.150 120.500 -0.031 0.000 2.062 158 R HA -0.089 4.265 4.340 0.024 0.000 0.231 158 R C -0.525 175.591 176.300 -0.308 0.000 1.136 158 R CA 1.538 57.523 56.100 -0.192 0.000 0.948 158 R CB -1.173 28.994 30.300 -0.221 0.000 0.845 158 R HN 0.258 nan 8.270 nan 0.000 0.430 159 P HA -0.078 nan 4.420 nan 0.000 0.221 159 P C 0.764 178.173 177.300 0.182 0.000 1.150 159 P CA 1.632 64.751 63.100 0.032 0.000 0.800 159 P CB 0.043 31.831 31.700 0.147 0.000 0.787 160 A N 0.873 123.863 122.820 0.282 0.000 1.898 160 A HA -0.016 4.318 4.320 0.024 0.000 0.216 160 A C 2.521 180.202 177.584 0.162 0.000 1.181 160 A CA 2.039 54.260 52.037 0.306 0.000 0.620 160 A CB -1.515 17.621 19.000 0.227 0.000 0.819 160 A HN 0.222 nan 8.150 nan 0.000 0.442 161 A N -1.419 121.455 122.820 0.090 0.000 1.933 161 A HA -0.104 4.230 4.320 0.024 0.000 0.218 161 A C 2.131 179.820 177.584 0.176 0.000 1.175 161 A CA 1.342 53.431 52.037 0.086 0.000 0.628 161 A CB -0.847 18.183 19.000 0.050 0.000 0.814 161 A HN 0.682 nan 8.150 nan 0.000 0.444 162 Y N -1.144 119.186 120.300 0.051 0.000 2.224 162 Y HA -0.264 4.301 4.550 0.025 0.000 0.289 162 Y C 2.156 178.061 175.900 0.008 0.000 1.146 162 Y CA 0.823 58.939 58.100 0.027 0.000 1.182 162 Y CB -0.122 38.377 38.460 0.065 0.000 0.983 162 Y HN 0.366 nan 8.280 nan 0.000 0.524 163 C N -0.257 119.186 119.300 0.237 0.000 2.754 163 C HA 0.332 4.807 4.460 0.024 0.000 0.276 163 C C 1.590 176.727 174.990 0.245 0.000 1.264 163 C CA 0.458 59.627 59.018 0.252 0.000 1.700 163 C CB -0.684 27.176 27.740 0.199 0.000 1.885 163 C HN 0.782 nan 8.230 nan 0.000 0.607 164 G N 2.527 111.369 108.800 0.070 0.000 2.221 164 G HA2 -0.211 3.764 3.960 0.024 0.000 0.265 164 G HA3 -0.211 3.764 3.960 0.024 0.000 0.265 164 G C 0.125 175.097 174.900 0.121 0.000 1.041 164 G CA 0.811 45.939 45.100 0.047 0.000 0.807 164 G HN 0.697 nan 8.290 nan 0.000 0.502 165 T N -2.922 111.713 114.554 0.135 0.000 2.942 165 T HA 0.892 5.256 4.350 0.024 0.000 0.289 165 T C 0.455 175.213 174.700 0.097 0.000 1.044 165 T CA 0.346 62.523 62.100 0.128 0.000 1.023 165 T CB 2.274 71.253 68.868 0.186 0.000 1.123 165 T HN 1.696 nan 8.240 nan 0.000 0.512 166 A N 0.733 123.588 122.820 0.058 0.000 2.287 166 A HA 0.896 5.230 4.320 0.024 0.000 0.273 166 A C 0.318 177.898 177.584 -0.008 0.000 1.091 166 A CA -0.272 51.770 52.037 0.007 0.000 0.817 166 A CB -0.097 18.884 19.000 -0.032 0.000 1.069 166 A HN 1.945 nan 8.150 nan 0.000 0.492 167 A N 0.026 122.796 122.820 -0.083 0.000 2.590 167 A HA 0.621 4.955 4.320 0.024 0.000 0.294 167 A C -1.193 176.283 177.584 -0.181 0.000 1.046 167 A CA -0.117 51.787 52.037 -0.221 0.000 0.684 167 A CB 0.523 19.273 19.000 -0.417 0.000 1.279 167 A HN 1.827 nan 8.150 nan 0.000 0.415 168 I N 0.484 120.928 120.570 -0.211 0.000 2.722 168 I HA 0.609 4.794 4.170 0.024 0.000 0.295 168 I C -0.908 175.132 176.117 -0.129 0.000 1.161 168 I CA -0.583 60.641 61.300 -0.126 0.000 1.032 168 I CB 1.858 39.811 38.000 -0.078 0.000 1.244 168 I HN 0.681 nan 8.210 nan 0.000 0.421 169 K N 8.673 129.038 120.400 -0.058 0.000 2.389 169 K HA 0.564 4.898 4.320 0.024 0.000 0.261 169 K C -2.710 173.909 176.600 0.032 0.000 1.014 169 K CA -1.750 54.532 56.287 -0.008 0.000 0.920 169 K CB 1.381 33.909 32.500 0.047 0.000 1.149 169 K HN 0.280 nan 8.250 nan 0.000 0.444 170 P HA 0.009 nan 4.420 nan 0.000 0.272 170 P C -0.667 176.676 177.300 0.073 0.000 1.254 170 P CA -0.314 62.811 63.100 0.041 0.000 0.795 170 P CB 0.529 32.239 31.700 0.018 0.000 1.022 171 S N -0.062 115.641 115.700 0.005 0.000 2.558 171 S HA 0.028 4.513 4.470 0.024 0.000 0.288 171 S C 0.150 174.862 174.600 0.186 0.000 1.318 171 S CA -0.134 58.039 58.200 -0.045 0.000 1.056 171 S CB -0.596 62.249 63.200 -0.592 0.000 0.853 171 S HN 0.276 nan 8.310 nan 0.000 0.505 172 F N 3.724 123.858 119.950 0.306 0.000 2.604 172 F HA -0.047 4.493 4.527 0.022 0.000 0.390 172 F C 1.507 177.460 175.800 0.254 0.000 1.053 172 F CA 0.551 58.727 58.000 0.294 0.000 1.256 172 F CB -0.160 39.042 39.000 0.337 0.000 0.996 172 F HN 0.783 nan 8.300 nan 0.000 0.564 173 R N 2.405 122.637 120.500 -0.447 0.000 3.994 173 R HA -0.312 4.042 4.340 0.024 0.000 0.403 173 R C 1.473 177.708 176.300 -0.108 0.000 1.126 173 R CA 1.212 57.092 56.100 -0.366 0.000 1.143 173 R CB -2.067 28.006 30.300 -0.379 0.000 1.695 173 R HN 0.828 nan 8.270 nan 0.000 0.555 174 M N 0.692 120.269 119.600 -0.039 0.000 2.099 174 M HA -0.023 4.472 4.480 0.024 0.000 0.262 174 M C 0.318 176.608 176.300 -0.017 0.000 1.067 174 M CA 1.690 56.986 55.300 -0.007 0.000 1.124 174 M CB 0.331 32.942 32.600 0.018 0.000 1.353 174 M HN 0.163 nan 8.290 nan 0.000 0.410 175 L N 3.026 124.231 121.223 -0.030 0.000 2.264 175 L HA 0.380 4.735 4.340 0.024 0.000 0.289 175 L C -2.006 174.841 176.870 -0.038 0.000 1.044 175 L CA -2.267 52.556 54.840 -0.029 0.000 0.807 175 L CB 0.634 42.677 42.059 -0.026 0.000 1.192 175 L HN 0.132 nan 8.230 nan 0.000 0.425 176 P HA 0.001 nan 4.420 nan 0.000 0.267 176 P C 0.281 177.575 177.300 -0.010 0.000 1.200 176 P CA -0.090 62.994 63.100 -0.027 0.000 0.772 176 P CB 0.753 32.446 31.700 -0.011 0.000 0.855 177 T N -2.192 112.359 114.554 -0.005 0.000 3.134 177 T HA 0.162 4.527 4.350 0.024 0.000 0.260 177 T C 0.663 175.390 174.700 0.045 0.000 1.027 177 T CA -0.343 61.775 62.100 0.031 0.000 0.913 177 T CB -0.383 68.517 68.868 0.053 0.000 1.046 177 T HN 0.090 nan 8.240 nan 0.000 0.553 178 V N 2.113 122.046 119.914 0.031 0.000 2.673 178 V HA 0.446 4.580 4.120 0.024 0.000 0.303 178 V C 1.675 177.796 176.094 0.045 0.000 1.046 178 V CA 1.177 63.499 62.300 0.036 0.000 1.126 178 V CB 0.038 31.876 31.823 0.024 0.000 0.934 178 V HN 0.851 nan 8.190 nan 0.000 0.487 179 G N 3.684 112.519 108.800 0.057 0.000 2.143 179 G HA2 -0.188 3.786 3.960 0.024 0.000 0.248 179 G HA3 -0.188 3.786 3.960 0.024 0.000 0.248 179 G C -0.115 174.828 174.900 0.071 0.000 0.991 179 G CA 0.082 45.222 45.100 0.067 0.000 0.689 179 G HN 0.889 nan 8.290 nan 0.000 0.522 180 V N 0.434 120.392 119.914 0.073 0.000 2.349 180 V HA 0.459 4.594 4.120 0.024 0.000 0.284 180 V C 0.604 176.754 176.094 0.092 0.000 1.014 180 V CA -1.299 61.048 62.300 0.079 0.000 0.826 180 V CB 1.604 33.477 31.823 0.082 0.000 1.009 180 V HN 0.361 nan 8.190 nan 0.000 0.431 181 K N 3.678 124.124 120.400 0.077 0.000 2.404 181 K HA -0.076 4.258 4.320 0.024 0.000 0.271 181 K C -0.091 176.593 176.600 0.140 0.000 1.130 181 K CA 0.428 56.764 56.287 0.081 0.000 1.181 181 K CB -0.530 31.994 32.500 0.040 0.000 0.840 181 K HN 0.803 nan 8.250 nan 0.000 0.483 182 C N 7.142 126.536 119.300 0.157 0.000 2.632 182 C HA 0.170 4.644 4.460 0.024 0.000 0.415 182 C C 1.052 176.198 174.990 0.261 0.000 1.332 182 C CA -0.553 58.599 59.018 0.222 0.000 1.874 182 C CB -0.808 27.084 27.740 0.255 0.000 2.596 182 C HN 0.884 nan 8.230 nan 0.000 0.590 183 Y N 3.336 123.696 120.300 0.100 0.000 2.447 183 Y HA 0.317 4.882 4.550 0.025 0.000 0.286 183 Y C 1.111 176.998 175.900 -0.022 0.000 1.153 183 Y CA 1.070 59.193 58.100 0.038 0.000 1.241 183 Y CB -0.447 38.043 38.460 0.051 0.000 1.284 183 Y HN 0.635 nan 8.280 nan 0.000 0.520 184 S N 0.400 116.113 115.700 0.021 0.000 2.776 184 S HA 0.257 4.741 4.470 0.024 0.000 0.284 184 S C -0.163 174.392 174.600 -0.075 0.000 1.160 184 S CA -0.481 57.566 58.200 -0.255 0.000 1.051 184 S CB -0.405 62.508 63.200 -0.478 0.000 1.037 184 S HN 0.369 nan 8.310 nan 0.000 0.485 185 W N 4.280 125.630 121.300 0.083 0.000 2.611 185 W HA 0.218 4.892 4.660 0.024 0.000 0.251 185 W C 1.323 177.973 176.519 0.218 0.000 1.265 185 W CA 0.733 58.164 57.345 0.144 0.000 1.295 185 W CB -0.567 28.967 29.460 0.123 0.000 1.129 185 W HN 0.676 nan 8.180 nan 0.000 0.630 186 A N 0.401 123.143 122.820 -0.131 0.000 2.132 186 A HA 0.200 4.534 4.320 0.024 0.000 0.213 186 A C 1.917 179.381 177.584 -0.199 0.000 1.154 186 A CA 1.021 53.008 52.037 -0.084 0.000 0.753 186 A CB -0.334 18.508 19.000 -0.263 0.000 0.826 186 A HN 0.442 nan 8.150 nan 0.000 0.469 187 L N -1.417 119.746 121.223 -0.101 0.000 2.547 187 L HA 0.168 4.523 4.340 0.024 0.000 0.218 187 L C -0.359 176.627 176.870 0.192 0.000 1.048 187 L CA -0.333 54.464 54.840 -0.072 0.000 0.859 187 L CB -0.328 41.621 42.059 -0.184 0.000 1.128 187 L HN 0.005 nan 8.230 nan 0.000 0.483 188 D N 2.135 122.666 120.400 0.218 0.000 2.662 188 D HA 0.084 4.739 4.640 0.024 0.000 0.237 188 D C -0.177 176.311 176.300 0.313 0.000 1.154 188 D CA 1.037 55.186 54.000 0.249 0.000 0.861 188 D CB 0.464 41.404 40.800 0.233 0.000 1.146 188 D HN 0.066 nan 8.370 nan 0.000 0.518 189 T N 1.038 115.737 114.554 0.242 0.000 2.916 189 T HA 0.419 4.783 4.350 0.024 0.000 0.305 189 T C -0.244 174.533 174.700 0.129 0.000 1.119 189 T CA -0.736 61.488 62.100 0.207 0.000 1.008 189 T CB 1.690 70.730 68.868 0.287 0.000 1.129 189 T HN -0.036 nan 8.240 nan 0.000 0.480 190 V N 1.725 121.688 119.914 0.081 0.000 2.644 190 V HA 0.846 4.980 4.120 0.024 0.000 0.295 190 V C 0.763 176.869 176.094 0.020 0.000 1.053 190 V CA -0.173 62.158 62.300 0.053 0.000 0.987 190 V CB 1.602 33.444 31.823 0.032 0.000 1.006 190 V HN 1.107 nan 8.190 nan 0.000 0.472 191 G N 2.911 111.706 108.800 -0.009 0.000 2.818 191 G HA2 0.752 4.727 3.960 0.024 0.000 0.286 191 G HA3 0.752 4.727 3.960 0.024 0.000 0.286 191 G C -1.949 172.871 174.900 -0.132 0.000 1.364 191 G CA -0.658 44.382 45.100 -0.099 0.000 0.938 191 G HN 0.441 nan 8.290 nan 0.000 0.490 192 L N -0.658 120.424 121.223 -0.235 0.000 2.370 192 L HA 0.697 5.051 4.340 0.024 0.000 0.266 192 L C -1.125 175.551 176.870 -0.322 0.000 1.002 192 L CA -0.465 54.273 54.840 -0.169 0.000 0.818 192 L CB 2.033 44.025 42.059 -0.113 0.000 1.325 192 L HN 0.425 nan 8.230 nan 0.000 0.418 193 F N 0.297 120.228 119.950 -0.031 0.000 2.522 193 F HA 0.881 5.424 4.527 0.027 0.000 0.324 193 F C 0.732 176.510 175.800 -0.036 0.000 1.077 193 F CA -0.454 57.530 58.000 -0.028 0.000 0.944 193 F CB 2.311 41.297 39.000 -0.024 0.000 1.175 193 F HN 0.489 nan 8.300 nan 0.000 0.468 194 G N -0.054 108.830 108.800 0.139 0.000 2.548 194 G HA2 0.510 4.484 3.960 0.024 0.000 0.301 194 G HA3 0.510 4.484 3.960 0.024 0.000 0.301 194 G C -0.246 174.673 174.900 0.032 0.000 1.349 194 G CA -0.158 44.974 45.100 0.053 0.000 0.792 194 G HN 0.783 nan 8.290 nan 0.000 0.481 195 A N -0.659 122.156 122.820 -0.009 0.000 1.855 195 A HA 0.443 4.777 4.320 0.024 0.000 0.213 195 A C 1.378 178.934 177.584 -0.048 0.000 1.195 195 A CA 1.125 53.151 52.037 -0.019 0.000 0.610 195 A CB -0.115 18.865 19.000 -0.033 0.000 0.837 195 A HN 0.589 nan 8.150 nan 0.000 0.444 196 R N -3.765 116.672 120.500 -0.103 0.000 2.869 196 R HA 0.588 4.943 4.340 0.024 0.000 0.263 196 R C 1.029 177.204 176.300 -0.209 0.000 1.066 196 R CA -0.149 55.853 56.100 -0.164 0.000 0.960 196 R CB 1.171 31.326 30.300 -0.243 0.000 1.221 196 R HN 0.168 nan 8.270 nan 0.000 0.474 197 A N 0.735 123.408 122.820 -0.245 0.000 1.917 197 A HA -0.247 4.087 4.320 0.024 0.000 0.219 197 A C 1.906 179.313 177.584 -0.296 0.000 1.182 197 A CA 2.187 54.103 52.037 -0.201 0.000 0.633 197 A CB -0.609 18.332 19.000 -0.099 0.000 0.819 197 A HN 0.888 nan 8.150 nan 0.000 0.448 198 E N -0.157 119.652 120.200 -0.653 0.000 2.118 198 E HA -0.257 4.108 4.350 0.024 0.000 0.195 198 E C 1.151 177.577 176.600 -0.289 0.000 0.992 198 E CA 1.485 57.481 56.400 -0.673 0.000 0.804 198 E CB -0.203 28.823 29.700 -1.123 0.000 0.741 198 E HN 0.620 nan 8.360 nan 0.000 0.458 199 D N 0.564 120.818 120.400 -0.242 0.000 2.144 199 D HA -0.140 4.514 4.640 0.024 0.000 0.200 199 D C 2.184 178.421 176.300 -0.106 0.000 0.978 199 D CA 0.840 54.758 54.000 -0.137 0.000 0.833 199 D CB -0.112 40.622 40.800 -0.110 0.000 0.961 199 D HN 0.331 nan 8.370 nan 0.000 0.470 200 L N 0.891 122.047 121.223 -0.113 0.000 2.056 200 L HA -0.093 4.261 4.340 0.024 0.000 0.207 200 L C 2.695 179.498 176.870 -0.111 0.000 1.078 200 L CA 0.902 55.680 54.840 -0.104 0.000 0.749 200 L CB -0.533 41.470 42.059 -0.094 0.000 0.901 200 L HN -0.045 nan 8.230 nan 0.000 0.433 201 A N 0.329 123.117 122.820 -0.053 0.000 1.851 201 A HA -0.206 4.128 4.320 0.024 0.000 0.216 201 A C 2.383 179.963 177.584 -0.006 0.000 1.195 201 A CA 1.491 53.551 52.037 0.038 0.000 0.622 201 A CB -0.459 18.630 19.000 0.148 0.000 0.831 201 A HN 0.256 nan 8.150 nan 0.000 0.444 202 R N -0.486 120.008 120.500 -0.010 0.000 2.120 202 R HA -0.109 4.245 4.340 0.024 0.000 0.234 202 R C 2.314 178.583 176.300 -0.051 0.000 1.123 202 R CA 1.269 57.366 56.100 -0.006 0.000 0.975 202 R CB -1.584 28.712 30.300 -0.008 0.000 0.866 202 R HN 0.563 nan 8.270 nan 0.000 0.446 203 G N 1.168 109.916 108.800 -0.087 0.000 2.421 203 G HA2 -0.200 3.775 3.960 0.024 0.000 0.216 203 G HA3 -0.200 3.775 3.960 0.024 0.000 0.216 203 G C 1.622 176.421 174.900 -0.168 0.000 1.171 203 G CA 0.331 45.368 45.100 -0.104 0.000 0.775 203 G HN 0.199 nan 8.290 nan 0.000 0.543 204 L N -0.256 120.783 121.223 -0.306 0.000 2.093 204 L HA -0.010 4.344 4.340 0.024 0.000 0.208 204 L C 2.700 179.323 176.870 -0.412 0.000 1.085 204 L CA 0.416 54.926 54.840 -0.551 0.000 0.755 204 L CB -0.418 40.897 42.059 -1.239 0.000 0.904 204 L HN 0.238 nan 8.230 nan 0.000 0.435 205 L N 0.516 121.619 121.223 -0.200 0.000 2.012 205 L HA -0.185 4.170 4.340 0.024 0.000 0.210 205 L C 2.632 179.508 176.870 0.011 0.000 1.073 205 L CA 2.191 57.058 54.840 0.045 0.000 0.748 205 L CB -0.789 41.340 42.059 0.117 0.000 0.891 205 L HN 0.140 nan 8.230 nan 0.000 0.431 206 A N -0.856 121.951 122.820 -0.022 0.000 1.933 206 A HA -0.206 4.128 4.320 0.024 0.000 0.218 206 A C 2.262 179.832 177.584 -0.022 0.000 1.175 206 A CA 2.121 54.151 52.037 -0.013 0.000 0.628 206 A CB -0.536 18.453 19.000 -0.017 0.000 0.814 206 A HN 0.577 nan 8.150 nan 0.000 0.444 207 M N -0.672 118.894 119.600 -0.056 0.000 2.156 207 M HA -0.084 4.410 4.480 0.024 0.000 0.264 207 M C 2.281 178.563 176.300 -0.030 0.000 1.067 207 M CA 1.907 57.177 55.300 -0.051 0.000 1.131 207 M CB -0.324 32.226 32.600 -0.084 0.000 1.368 207 M HN 0.660 nan 8.290 nan 0.000 0.416 208 T N -3.934 110.603 114.554 -0.028 0.000 3.015 208 T HA 0.300 4.665 4.350 0.024 0.000 0.250 208 T C 1.503 176.242 174.700 0.065 0.000 1.057 208 T CA 0.656 62.773 62.100 0.028 0.000 1.066 208 T CB 0.220 69.130 68.868 0.071 0.000 0.959 208 T HN 0.559 nan 8.240 nan 0.000 0.488 209 G N 2.303 111.145 108.800 0.071 0.000 2.166 209 G HA2 -0.297 3.678 3.960 0.024 0.000 0.260 209 G HA3 -0.297 3.678 3.960 0.024 0.000 0.260 209 G C 0.092 175.052 174.900 0.100 0.000 0.986 209 G CA 0.078 45.222 45.100 0.073 0.000 0.683 209 G HN 0.706 nan 8.290 nan 0.000 0.527 210 R N 0.700 121.304 120.500 0.173 0.000 2.267 210 R HA 0.416 4.770 4.340 0.024 0.000 0.319 210 R C 1.938 178.312 176.300 0.123 0.000 1.067 210 R CA 0.338 56.531 56.100 0.154 0.000 0.936 210 R CB 0.839 31.273 30.300 0.223 0.000 1.006 210 R HN 0.423 nan 8.270 nan 0.000 0.452 211 S N 2.532 118.253 115.700 0.034 0.000 2.419 211 S HA -0.201 4.284 4.470 0.024 0.000 0.235 211 S C 1.445 176.015 174.600 -0.049 0.000 1.019 211 S CA 1.213 59.419 58.200 0.010 0.000 0.982 211 S CB -0.099 63.096 63.200 -0.007 0.000 0.789 211 S HN 0.703 nan 8.310 nan 0.000 0.490 212 E N 1.262 121.357 120.200 -0.176 0.000 2.209 212 E HA -0.153 4.212 4.350 0.024 0.000 0.196 212 E C 1.181 177.566 176.600 -0.359 0.000 0.993 212 E CA 0.908 57.110 56.400 -0.330 0.000 0.819 212 E CB -0.853 28.525 29.700 -0.536 0.000 0.745 212 E HN 0.765 nan 8.360 nan 0.000 0.477 213 F N 1.294 121.253 119.950 0.015 0.000 2.797 213 F HA 0.137 4.681 4.527 0.028 0.000 0.302 213 F C 1.262 177.087 175.800 0.043 0.000 1.130 213 F CA -0.158 57.860 58.000 0.030 0.000 1.387 213 F CB 0.494 39.505 39.000 0.018 0.000 1.107 213 F HN -0.177 nan 8.300 nan 0.000 0.577 214 S N -0.111 115.676 115.700 0.146 0.000 2.480 214 S HA 0.493 4.977 4.470 0.024 0.000 0.286 214 S C 0.826 175.476 174.600 0.083 0.000 1.180 214 S CA 0.137 58.405 58.200 0.112 0.000 1.075 214 S CB 0.859 64.106 63.200 0.077 0.000 0.996 214 S HN 0.620 nan 8.310 nan 0.000 0.487 215 G N 4.305 113.165 108.800 0.100 0.000 2.160 215 G HA2 -0.217 3.757 3.960 0.024 0.000 0.251 215 G HA3 -0.217 3.757 3.960 0.024 0.000 0.251 215 G C 0.145 175.095 174.900 0.084 0.000 1.008 215 G CA 0.204 45.352 45.100 0.080 0.000 0.724 215 G HN 0.766 nan 8.290 nan 0.000 0.514 216 I N -0.184 120.476 120.570 0.150 0.000 2.710 216 I HA 0.334 4.519 4.170 0.024 0.000 0.286 216 I C 0.758 176.950 176.117 0.125 0.000 1.181 216 I CA 0.221 61.620 61.300 0.165 0.000 1.430 216 I CB 1.170 39.337 38.000 0.278 0.000 1.367 216 I HN 0.018 nan 8.210 nan 0.000 0.577 217 V N 7.846 127.719 119.914 -0.070 0.000 3.078 217 V HA 0.481 4.616 4.120 0.024 0.000 0.311 217 V C -2.336 173.472 176.094 -0.476 0.000 1.138 217 V CA -2.133 59.913 62.300 -0.423 0.000 1.007 217 V CB 2.605 34.264 31.823 -0.274 0.000 1.045 217 V HN 0.520 nan 8.190 nan 0.000 0.432 218 P HA 0.193 nan 4.420 nan 0.000 0.264 218 P C -0.608 176.606 177.300 -0.144 0.000 1.183 218 P CA 0.416 63.227 63.100 -0.482 0.000 0.763 218 P CB 0.370 31.712 31.700 -0.597 0.000 0.807 219 A N 3.802 126.630 122.820 0.013 0.000 2.346 219 A HA 0.357 4.691 4.320 0.024 0.000 0.252 219 A C 0.156 177.667 177.584 -0.122 0.000 1.089 219 A CA 0.099 52.115 52.037 -0.035 0.000 0.797 219 A CB 0.217 19.220 19.000 0.006 0.000 1.047 219 A HN 0.353 nan 8.150 nan 0.000 0.494 220 K N 0.180 120.480 120.400 -0.168 0.000 2.270 220 K HA 0.556 4.891 4.320 0.024 0.000 0.255 220 K C 0.076 176.518 176.600 -0.263 0.000 0.936 220 K CA 0.135 56.319 56.287 -0.172 0.000 0.809 220 K CB 1.521 33.971 32.500 -0.083 0.000 1.131 220 K HN 1.618 nan 8.250 nan 0.000 0.427 221 A N 2.828 125.468 122.820 -0.299 0.000 2.364 221 A HA -0.156 4.179 4.320 0.024 0.000 0.288 221 A C -2.132 175.289 177.584 -0.273 0.000 1.433 221 A CA -0.144 51.747 52.037 -0.244 0.000 0.757 221 A CB -1.896 17.043 19.000 -0.103 0.000 1.098 221 A HN 0.398 nan 8.150 nan 0.000 0.380 222 P HA 0.230 nan 4.420 nan 0.000 0.269 222 P C 0.163 177.372 177.300 -0.152 0.000 1.215 222 P CA 0.067 63.001 63.100 -0.278 0.000 0.780 222 P CB 0.407 31.859 31.700 -0.414 0.000 0.898 223 R N 2.409 122.869 120.500 -0.067 0.000 2.287 223 R HA 0.402 4.757 4.340 0.024 0.000 0.327 223 R C -0.255 176.022 176.300 -0.039 0.000 1.109 223 R CA -0.336 55.742 56.100 -0.037 0.000 1.013 223 R CB -0.021 30.276 30.300 -0.004 0.000 1.126 223 R HN 0.473 nan 8.270 nan 0.000 0.503 224 I N 1.346 121.889 120.570 -0.045 0.000 2.353 224 I HA 0.325 4.510 4.170 0.024 0.000 0.293 224 I C 0.810 176.895 176.117 -0.054 0.000 0.992 224 I CA -0.556 60.716 61.300 -0.047 0.000 1.268 224 I CB 1.917 39.901 38.000 -0.028 0.000 1.387 224 I HN 0.552 nan 8.210 nan 0.000 0.478 225 G N 5.608 114.360 108.800 -0.079 0.000 2.422 225 G HA2 0.547 4.522 3.960 0.024 0.000 0.317 225 G HA3 0.547 4.522 3.960 0.024 0.000 0.317 225 G C -0.764 174.079 174.900 -0.096 0.000 1.210 225 G CA -0.341 44.706 45.100 -0.089 0.000 0.930 225 G HN 0.347 nan 8.290 nan 0.000 0.468 226 V N 3.123 122.988 119.914 -0.081 0.000 2.406 226 V HA 0.461 4.596 4.120 0.024 0.000 0.272 226 V C 0.438 176.485 176.094 -0.078 0.000 1.043 226 V CA -0.584 61.657 62.300 -0.098 0.000 0.915 226 V CB 0.986 32.750 31.823 -0.098 0.000 0.988 226 V HN 0.741 nan 8.190 nan 0.000 0.466 227 V N 3.193 123.057 119.914 -0.083 0.000 2.540 227 V HA 0.613 4.748 4.120 0.024 0.000 0.302 227 V C 0.390 176.442 176.094 -0.070 0.000 1.035 227 V CA -0.760 61.533 62.300 -0.011 0.000 0.873 227 V CB 1.672 33.567 31.823 0.119 0.000 0.992 227 V HN 0.748 nan 8.190 nan 0.000 0.428 228 R N 1.374 121.844 120.500 -0.050 0.000 2.393 228 R HA 0.283 4.638 4.340 0.024 0.000 0.244 228 R C 0.008 176.324 176.300 0.027 0.000 0.920 228 R CA -0.107 55.997 56.100 0.007 0.000 1.076 228 R CB 0.179 30.520 30.300 0.067 0.000 1.119 228 R HN 0.946 nan 8.270 nan 0.000 0.524 229 Q N 0.664 120.326 119.800 -0.231 0.000 2.437 229 Q HA -0.224 4.131 4.340 0.024 0.000 0.354 229 Q C -0.164 175.157 176.000 -1.132 0.000 1.402 229 Q CA 0.422 55.595 55.803 -1.050 0.000 1.020 229 Q CB -0.764 27.565 28.738 -0.681 0.000 1.220 229 Q HN 0.289 nan 8.270 nan 0.000 0.368 230 E N -0.214 119.531 120.200 -0.759 0.000 2.265 230 E HA -0.168 4.197 4.350 0.024 0.000 0.196 230 E C 1.185 177.432 176.600 -0.588 0.000 0.996 230 E CA 1.620 57.742 56.400 -0.464 0.000 0.832 230 E CB -0.243 29.336 29.700 -0.201 0.000 0.756 230 E HN 0.771 nan 8.360 nan 0.000 0.491 231 F N -1.171 118.416 119.950 -0.605 0.000 2.408 231 F HA 0.060 4.600 4.527 0.021 0.000 0.300 231 F C 1.784 176.903 175.800 -1.134 0.000 1.090 231 F CA 0.602 58.123 58.000 -0.798 0.000 1.427 231 F CB -0.477 37.911 39.000 -1.020 0.000 1.070 231 F HN -0.029 nan 8.300 nan 0.000 0.549 232 A N 0.466 122.582 122.820 -1.173 0.000 2.337 232 A HA 0.577 4.911 4.320 0.024 0.000 0.227 232 A C 1.407 178.719 177.584 -0.453 0.000 1.259 232 A CA 0.368 51.841 52.037 -0.939 0.000 0.870 232 A CB -1.265 17.081 19.000 -1.089 0.000 0.927 232 A HN 0.867 nan 8.150 nan 0.000 0.497 233 G N -1.075 107.537 108.800 -0.313 0.000 2.741 233 G HA2 0.278 4.253 3.960 0.024 0.000 0.222 233 G HA3 0.278 4.253 3.960 0.024 0.000 0.222 233 G C 0.244 175.116 174.900 -0.047 0.000 1.364 233 G CA -0.351 44.673 45.100 -0.127 0.000 0.866 233 G HN 1.708 nan 8.290 nan 0.000 0.555 234 A N -0.917 121.895 122.820 -0.014 0.000 2.477 234 A HA 0.608 4.942 4.320 0.024 0.000 0.246 234 A C 0.805 178.394 177.584 0.008 0.000 1.078 234 A CA 0.751 52.780 52.037 -0.013 0.000 0.770 234 A CB 0.995 19.984 19.000 -0.018 0.000 1.011 234 A HN 2.174 nan 8.150 nan 0.000 0.494 235 V N 2.274 122.113 119.914 -0.126 0.000 2.973 235 V HA 0.293 4.428 4.120 0.024 0.000 0.314 235 V C 0.428 176.392 176.094 -0.216 0.000 1.066 235 V CA -0.611 61.499 62.300 -0.316 0.000 1.021 235 V CB 1.541 32.802 31.823 -0.938 0.000 1.076 235 V HN 1.040 nan 8.190 nan 0.000 0.462 236 E N 4.313 124.390 120.200 -0.205 0.000 2.349 236 E HA 0.227 4.592 4.350 0.024 0.000 0.265 236 E C -1.811 174.719 176.600 -0.116 0.000 1.064 236 E CA -1.327 55.005 56.400 -0.113 0.000 0.886 236 E CB 1.067 30.726 29.700 -0.069 0.000 1.036 236 E HN 0.497 nan 8.360 nan 0.000 0.413 237 P HA -0.291 nan 4.420 nan 0.000 0.216 237 P C 0.945 178.224 177.300 -0.035 0.000 1.157 237 P CA 1.826 64.900 63.100 -0.044 0.000 0.880 237 P CB 0.127 31.810 31.700 -0.028 0.000 0.791 238 A N -0.428 122.371 122.820 -0.036 0.000 1.978 238 A HA -0.166 4.168 4.320 0.024 0.000 0.220 238 A C 2.288 179.864 177.584 -0.014 0.000 1.170 238 A CA 2.168 54.190 52.037 -0.025 0.000 0.636 238 A CB -1.539 17.443 19.000 -0.030 0.000 0.810 238 A HN 0.227 nan 8.150 nan 0.000 0.448 239 A N -0.405 122.391 122.820 -0.041 0.000 1.897 239 A HA -0.068 4.266 4.320 0.024 0.000 0.215 239 A C 1.973 179.632 177.584 0.125 0.000 1.181 239 A CA 1.941 53.972 52.037 -0.010 0.000 0.620 239 A CB -0.398 18.470 19.000 -0.220 0.000 0.821 239 A HN 0.519 nan 8.150 nan 0.000 0.443 240 E N 0.229 120.480 120.200 0.084 0.000 2.150 240 E HA -0.174 4.191 4.350 0.024 0.000 0.193 240 E C 2.038 178.686 176.600 0.080 0.000 0.985 240 E CA 1.589 58.094 56.400 0.175 0.000 0.814 240 E CB -0.360 29.395 29.700 0.092 0.000 0.752 240 E HN 0.703 nan 8.360 nan 0.000 0.466 241 Q N -0.556 119.266 119.800 0.037 0.000 2.061 241 Q HA -0.098 4.257 4.340 0.024 0.000 0.204 241 Q C 2.197 178.204 176.000 0.013 0.000 0.984 241 Q CA 1.467 57.279 55.803 0.015 0.000 0.846 241 Q CB -0.419 28.320 28.738 0.001 0.000 0.902 241 Q HN 0.458 nan 8.270 nan 0.000 0.421 242 G N 0.916 109.729 108.800 0.021 0.000 2.421 242 G HA2 -0.256 3.719 3.960 0.024 0.000 0.216 242 G HA3 -0.256 3.719 3.960 0.024 0.000 0.216 242 G C 1.360 176.259 174.900 -0.003 0.000 1.171 242 G CA 0.650 45.756 45.100 0.010 0.000 0.775 242 G HN 0.241 nan 8.290 nan 0.000 0.543 243 L N 0.491 121.717 121.223 0.005 0.000 2.012 243 L HA -0.086 4.269 4.340 0.024 0.000 0.210 243 L C 2.846 179.683 176.870 -0.055 0.000 1.073 243 L CA 2.109 56.907 54.840 -0.070 0.000 0.748 243 L CB -0.779 41.176 42.059 -0.172 0.000 0.891 243 L HN 0.323 nan 8.230 nan 0.000 0.431 244 Q N -1.042 118.743 119.800 -0.023 0.000 2.084 244 Q HA -0.176 4.179 4.340 0.024 0.000 0.202 244 Q C 2.247 178.235 176.000 -0.020 0.000 0.978 244 Q CA 1.618 57.409 55.803 -0.020 0.000 0.844 244 Q CB -0.311 28.423 28.738 -0.006 0.000 0.898 244 Q HN 0.706 nan 8.270 nan 0.000 0.426 245 A N 1.011 123.821 122.820 -0.017 0.000 1.908 245 A HA -0.188 4.146 4.320 0.024 0.000 0.218 245 A C 2.269 179.837 177.584 -0.026 0.000 1.181 245 A CA 1.744 53.769 52.037 -0.019 0.000 0.627 245 A CB -0.852 18.137 19.000 -0.018 0.000 0.818 245 A HN 0.429 nan 8.150 nan 0.000 0.445 246 A N -0.018 122.783 122.820 -0.031 0.000 1.877 246 A HA -0.099 4.236 4.320 0.024 0.000 0.216 246 A C 2.133 179.702 177.584 -0.025 0.000 1.186 246 A CA 1.561 53.577 52.037 -0.034 0.000 0.620 246 A CB -0.672 18.304 19.000 -0.040 0.000 0.822 246 A HN 0.504 nan 8.150 nan 0.000 0.443 247 I N -0.472 120.082 120.570 -0.027 0.000 2.163 247 I HA -0.307 3.877 4.170 0.024 0.000 0.243 247 I C 2.582 178.698 176.117 -0.002 0.000 1.085 247 I CA 2.028 63.319 61.300 -0.015 0.000 1.347 247 I CB -0.288 37.695 38.000 -0.029 0.000 1.044 247 I HN 0.392 nan 8.210 nan 0.000 0.408 248 K N 1.212 121.606 120.400 -0.010 0.000 2.057 248 K HA -0.200 4.134 4.320 0.024 0.000 0.207 248 K C 2.224 178.820 176.600 -0.008 0.000 1.049 248 K CA 1.553 57.836 56.287 -0.007 0.000 0.931 248 K CB -0.129 32.365 32.500 -0.011 0.000 0.714 248 K HN 0.303 nan 8.250 nan 0.000 0.440 249 A N 1.044 123.850 122.820 -0.024 0.000 1.902 249 A HA -0.111 4.223 4.320 0.024 0.000 0.217 249 A C 2.331 179.886 177.584 -0.048 0.000 1.181 249 A CA 1.897 53.905 52.037 -0.049 0.000 0.623 249 A CB -0.845 18.109 19.000 -0.076 0.000 0.818 249 A HN 0.491 nan 8.150 nan 0.000 0.443 250 A N -0.245 122.572 122.820 -0.005 0.000 1.883 250 A HA -0.203 4.132 4.320 0.024 0.000 0.217 250 A C 1.944 179.632 177.584 0.172 0.000 1.186 250 A CA 1.767 53.877 52.037 0.121 0.000 0.624 250 A CB -0.593 18.518 19.000 0.184 0.000 0.822 250 A HN 0.638 nan 8.150 nan 0.000 0.444 251 E N -0.709 119.543 120.200 0.088 0.000 2.051 251 E HA -0.181 4.183 4.350 0.024 0.000 0.192 251 E C 2.302 178.941 176.600 0.065 0.000 0.991 251 E CA 0.964 57.406 56.400 0.070 0.000 0.799 251 E CB -0.143 29.578 29.700 0.035 0.000 0.748 251 E HN 0.354 nan 8.360 nan 0.000 0.449 252 R N 0.257 120.780 120.500 0.040 0.000 2.120 252 R HA -0.066 4.289 4.340 0.024 0.000 0.234 252 R C 1.946 178.272 176.300 0.044 0.000 1.123 252 R CA 1.109 57.225 56.100 0.027 0.000 0.975 252 R CB -0.555 29.746 30.300 0.002 0.000 0.866 252 R HN 0.116 nan 8.270 nan 0.000 0.446 253 A N -0.178 122.682 122.820 0.067 0.000 2.238 253 A HA 0.293 4.627 4.320 0.024 0.000 0.208 253 A C 1.372 179.108 177.584 0.253 0.000 1.177 253 A CA 0.931 53.036 52.037 0.114 0.000 0.804 253 A CB -0.054 18.915 19.000 -0.052 0.000 0.823 253 A HN 0.439 nan 8.150 nan 0.000 0.482 254 G N -2.320 106.590 108.800 0.183 0.000 2.179 254 G HA2 0.129 4.103 3.960 0.024 0.000 0.220 254 G HA3 0.129 4.103 3.960 0.024 0.000 0.220 254 G C 0.448 175.399 174.900 0.085 0.000 0.990 254 G CA 0.154 45.328 45.100 0.124 0.000 0.646 254 G HN 1.498 nan 8.290 nan 0.000 0.517 255 A N 0.280 123.191 122.820 0.152 0.000 2.332 255 A HA 0.739 5.073 4.320 0.024 0.000 0.258 255 A C 0.893 178.489 177.584 0.019 0.000 1.087 255 A CA 0.880 52.931 52.037 0.024 0.000 0.802 255 A CB 0.489 19.551 19.000 0.103 0.000 1.042 255 A HN 1.864 nan 8.150 nan 0.000 0.489 256 S N 0.420 116.109 115.700 -0.018 0.000 2.429 256 S HA 0.589 5.074 4.470 0.024 0.000 0.302 256 S C -0.661 173.933 174.600 -0.010 0.000 1.115 256 S CA -0.609 57.585 58.200 -0.010 0.000 1.095 256 S CB 0.864 64.053 63.200 -0.020 0.000 0.987 256 S HN 0.722 nan 8.310 nan 0.000 0.474 257 V N 4.568 124.480 119.914 -0.003 0.000 2.487 257 V HA 0.587 4.722 4.120 0.024 0.000 0.298 257 V C -0.277 175.807 176.094 -0.016 0.000 1.028 257 V CA -0.653 61.641 62.300 -0.010 0.000 0.860 257 V CB 1.210 33.032 31.823 -0.002 0.000 0.991 257 V HN 1.024 nan 8.190 nan 0.000 0.427 258 Q N 3.738 123.523 119.800 -0.025 0.000 2.397 258 Q HA 0.882 5.236 4.340 0.024 0.000 0.275 258 Q C -0.839 175.142 176.000 -0.032 0.000 1.090 258 Q CA -0.902 54.886 55.803 -0.024 0.000 0.809 258 Q CB 2.600 31.325 28.738 -0.022 0.000 1.362 258 Q HN 0.761 nan 8.270 nan 0.000 0.431 259 A N 3.688 126.493 122.820 -0.026 0.000 2.328 259 A HA 0.685 5.020 4.320 0.024 0.000 0.284 259 A C -0.110 177.464 177.584 -0.017 0.000 1.160 259 A CA -0.693 51.329 52.037 -0.026 0.000 0.818 259 A CB 0.059 19.047 19.000 -0.020 0.000 1.087 259 A HN 0.763 nan 8.150 nan 0.000 0.504 260 I N -1.021 119.540 120.570 -0.014 0.000 2.865 260 I HA 0.590 4.775 4.170 0.024 0.000 0.302 260 I C -1.471 174.666 176.117 0.033 0.000 1.140 260 I CA -1.016 60.284 61.300 -0.000 0.000 1.021 260 I CB 2.500 40.489 38.000 -0.019 0.000 1.233 260 I HN 0.350 nan 8.210 nan 0.000 0.427 261 D N 5.035 125.465 120.400 0.050 0.000 2.193 261 D HA 0.511 5.166 4.640 0.024 0.000 0.244 261 D C -0.389 175.988 176.300 0.128 0.000 1.064 261 D CA -0.231 53.831 54.000 0.104 0.000 0.845 261 D CB 2.828 43.679 40.800 0.085 0.000 1.148 261 D HN 0.426 nan 8.370 nan 0.000 0.464 262 L N 2.706 124.077 121.223 0.248 0.000 2.395 262 L HA 0.277 4.631 4.340 0.024 0.000 0.269 262 L C -2.006 174.934 176.870 0.116 0.000 1.133 262 L CA -1.631 53.350 54.840 0.234 0.000 0.812 262 L CB 0.308 42.592 42.059 0.375 0.000 1.125 262 L HN 0.050 nan 8.230 nan 0.000 0.452 263 P HA -0.054 nan 4.420 nan 0.000 0.268 263 P C 0.289 177.448 177.300 -0.235 0.000 1.208 263 P CA -0.119 62.930 63.100 -0.085 0.000 0.777 263 P CB 0.601 32.281 31.700 -0.033 0.000 0.875 264 E N 3.038 123.061 120.200 -0.295 0.000 2.130 264 E HA -0.261 4.103 4.350 0.024 0.000 0.196 264 E C 1.787 178.284 176.600 -0.172 0.000 0.998 264 E CA 2.171 58.365 56.400 -0.343 0.000 0.806 264 E CB -1.000 28.585 29.700 -0.192 0.000 0.738 264 E HN 0.419 nan 8.360 nan 0.000 0.459 265 A N 0.151 122.906 122.820 -0.108 0.000 1.940 265 A HA -0.175 4.159 4.320 0.024 0.000 0.219 265 A C 2.517 180.062 177.584 -0.066 0.000 1.176 265 A CA 1.833 53.829 52.037 -0.069 0.000 0.631 265 A CB -0.799 18.170 19.000 -0.051 0.000 0.814 265 A HN 0.226 nan 8.150 nan 0.000 0.446 266 V N -0.430 119.450 119.914 -0.057 0.000 2.427 266 V HA -0.263 3.871 4.120 0.024 0.000 0.248 266 V C 2.243 178.214 176.094 -0.204 0.000 1.051 266 V CA 2.038 64.286 62.300 -0.087 0.000 1.048 266 V CB -1.197 30.621 31.823 -0.009 0.000 0.666 266 V HN 0.719 nan 8.190 nan 0.000 0.456 267 H N -0.470 118.377 119.070 -0.373 0.000 2.387 267 H HA -0.125 4.445 4.556 0.022 0.000 0.299 267 H C 2.449 177.654 175.328 -0.205 0.000 1.090 267 H CA 1.265 57.014 56.048 -0.498 0.000 1.332 267 H CB 0.228 29.887 29.762 -0.172 0.000 1.386 267 H HN 0.393 nan 8.280 nan 0.000 0.516 268 E N 0.907 121.114 120.200 0.012 0.000 2.077 268 E HA -0.112 4.253 4.350 0.024 0.000 0.193 268 E C 2.509 179.085 176.600 -0.041 0.000 0.989 268 E CA 0.811 57.212 56.400 0.001 0.000 0.800 268 E CB -0.225 29.459 29.700 -0.026 0.000 0.746 268 E HN 0.430 nan 8.360 nan 0.000 0.452 269 A N 0.647 123.417 122.820 -0.083 0.000 1.908 269 A HA -0.199 4.136 4.320 0.024 0.000 0.218 269 A C 2.050 179.566 177.584 -0.112 0.000 1.181 269 A CA 1.592 53.563 52.037 -0.110 0.000 0.627 269 A CB -1.211 17.714 19.000 -0.125 0.000 0.818 269 A HN 0.476 nan 8.150 nan 0.000 0.445 270 W N 0.620 121.709 121.300 -0.352 0.000 2.342 270 W HA -0.200 4.474 4.660 0.024 0.000 0.297 270 W C 2.359 178.764 176.519 -0.191 0.000 1.213 270 W CA 2.027 59.158 57.345 -0.355 0.000 1.251 270 W CB -0.153 28.917 29.460 -0.650 0.000 1.136 270 W HN 0.315 nan 8.180 nan 0.000 0.526 271 R N 0.709 121.185 120.500 -0.040 0.000 2.081 271 R HA -0.178 4.176 4.340 0.024 0.000 0.235 271 R C 1.935 178.077 176.300 -0.264 0.000 1.131 271 R CA 2.307 58.300 56.100 -0.178 0.000 0.960 271 R CB -0.736 29.605 30.300 0.068 0.000 0.856 271 R HN 0.383 nan 8.270 nan 0.000 0.436 272 I N -0.987 119.477 120.570 -0.177 0.000 3.564 272 I HA -0.016 4.168 4.170 0.024 0.000 0.294 272 I C 1.931 177.945 176.117 -0.172 0.000 1.289 272 I CA 0.648 61.853 61.300 -0.159 0.000 1.325 272 I CB -0.792 37.129 38.000 -0.132 0.000 1.039 272 I HN 0.155 nan 8.210 nan 0.000 0.474 273 H N 3.161 122.035 119.070 -0.328 0.000 2.319 273 H HA -0.078 4.492 4.556 0.023 0.000 0.297 273 H C -0.733 174.433 175.328 -0.269 0.000 1.097 273 H CA 2.544 58.404 56.048 -0.314 0.000 1.285 273 H CB -1.347 28.175 29.762 -0.400 0.000 1.368 273 H HN 0.220 nan 8.280 nan 0.000 0.495 274 P HA -0.131 nan 4.420 nan 0.000 0.218 274 P C 1.885 179.123 177.300 -0.104 0.000 1.148 274 P CA 1.046 64.125 63.100 -0.036 0.000 0.822 274 P CB -0.028 31.624 31.700 -0.079 0.000 0.784 275 I N -1.107 119.401 120.570 -0.104 0.000 2.202 275 I HA -0.174 4.010 4.170 0.024 0.000 0.242 275 I C 2.335 178.439 176.117 -0.022 0.000 1.091 275 I CA 1.444 62.714 61.300 -0.050 0.000 1.368 275 I CB -1.362 36.605 38.000 -0.056 0.000 1.058 275 I HN -0.017 nan 8.210 nan 0.000 0.410 276 I N 0.275 120.782 120.570 -0.105 0.000 2.252 276 I HA -0.301 3.884 4.170 0.024 0.000 0.245 276 I C 2.727 178.707 176.117 -0.228 0.000 1.102 276 I CA 1.123 62.380 61.300 -0.072 0.000 1.385 276 I CB -0.401 37.472 38.000 -0.211 0.000 1.064 276 I HN 0.345 nan 8.210 nan 0.000 0.414 277 Q N 1.069 120.638 119.800 -0.385 0.000 2.002 277 Q HA -0.267 4.088 4.340 0.024 0.000 0.204 277 Q C 1.699 177.490 176.000 -0.347 0.000 0.988 277 Q CA 2.229 57.751 55.803 -0.468 0.000 0.843 277 Q CB 0.025 28.477 28.738 -0.477 0.000 0.908 277 Q HN 0.442 nan 8.270 nan 0.000 0.420 278 D N -0.318 119.966 120.400 -0.193 0.000 2.149 278 D HA -0.118 4.536 4.640 0.024 0.000 0.201 278 D C 1.594 177.861 176.300 -0.055 0.000 0.972 278 D CA 0.672 54.606 54.000 -0.110 0.000 0.835 278 D CB -0.394 40.390 40.800 -0.027 0.000 0.966 278 D HN 0.252 nan 8.370 nan 0.000 0.476 279 F N 1.928 121.768 119.950 -0.184 0.000 2.102 279 F HA -0.139 4.402 4.527 0.024 0.000 0.298 279 F C 2.154 177.750 175.800 -0.339 0.000 1.105 279 F CA 1.466 59.321 58.000 -0.240 0.000 1.239 279 F CB 0.052 38.815 39.000 -0.395 0.000 0.991 279 F HN -0.118 nan 8.300 nan 0.000 0.474 280 E N 0.024 119.991 120.200 -0.388 0.000 2.072 280 E HA -0.162 4.202 4.350 0.024 0.000 0.191 280 E C 2.359 178.746 176.600 -0.354 0.000 0.985 280 E CA 0.843 56.864 56.400 -0.632 0.000 0.801 280 E CB -0.403 28.619 29.700 -1.131 0.000 0.750 280 E HN 0.484 nan 8.360 nan 0.000 0.452 281 A N 1.310 123.966 122.820 -0.273 0.000 1.978 281 A HA -0.234 4.101 4.320 0.024 0.000 0.220 281 A C 1.828 179.284 177.584 -0.212 0.000 1.170 281 A CA 1.426 53.391 52.037 -0.121 0.000 0.636 281 A CB -0.694 18.297 19.000 -0.016 0.000 0.810 281 A HN 0.292 nan 8.150 nan 0.000 0.448 282 H N -0.879 118.022 119.070 -0.281 0.000 2.423 282 H HA -0.027 4.543 4.556 0.024 0.000 0.297 282 H C 2.367 177.554 175.328 -0.234 0.000 1.075 282 H CA 1.768 57.602 56.048 -0.356 0.000 1.342 282 H CB 0.111 29.584 29.762 -0.482 0.000 1.395 282 H HN 0.370 nan 8.280 nan 0.000 0.530 283 R N 0.431 120.889 120.500 -0.071 0.000 2.066 283 R HA 0.100 4.455 4.340 0.024 0.000 0.224 283 R C 2.533 178.914 176.300 0.134 0.000 1.122 283 R CA 1.084 57.209 56.100 0.041 0.000 0.974 283 R CB -0.684 29.712 30.300 0.161 0.000 0.871 283 R HN 0.207 nan 8.270 nan 0.000 0.435 284 A N 0.236 123.188 122.820 0.222 0.000 1.972 284 A HA -0.052 4.282 4.320 0.024 0.000 0.219 284 A C 1.392 179.038 177.584 0.103 0.000 1.169 284 A CA 1.201 53.374 52.037 0.227 0.000 0.635 284 A CB -0.275 18.903 19.000 0.297 0.000 0.810 284 A HN 0.230 nan 8.150 nan 0.000 0.446 285 L N -1.224 120.013 121.223 0.024 0.000 3.110 285 L HA 0.283 4.637 4.340 0.024 0.000 0.266 285 L C 2.033 178.938 176.870 0.059 0.000 1.257 285 L CA 0.169 54.989 54.840 -0.032 0.000 1.038 285 L CB 0.184 42.111 42.059 -0.220 0.000 1.395 285 L HN 0.335 nan 8.230 nan 0.000 0.566 286 A N 0.484 123.372 122.820 0.112 0.000 1.892 286 A HA -0.259 4.075 4.320 0.024 0.000 0.218 286 A C 1.911 179.627 177.584 0.220 0.000 1.188 286 A CA 1.879 54.015 52.037 0.166 0.000 0.631 286 A CB -0.710 18.370 19.000 0.133 0.000 0.822 286 A HN 0.719 nan 8.150 nan 0.000 0.447 287 W N 0.954 122.294 121.300 0.066 0.000 2.335 287 W HA -0.197 4.477 4.660 0.024 0.000 0.311 287 W C 1.881 178.466 176.519 0.110 0.000 1.213 287 W CA 2.214 59.602 57.345 0.073 0.000 1.274 287 W CB -0.246 29.244 29.460 0.050 0.000 1.148 287 W HN 0.423 nan 8.180 nan 0.000 0.498 288 E N -0.594 119.664 120.200 0.096 0.000 2.077 288 E HA -0.207 4.157 4.350 0.024 0.000 0.193 288 E C 1.961 178.502 176.600 -0.098 0.000 0.989 288 E CA 1.794 58.120 56.400 -0.123 0.000 0.800 288 E CB -1.024 28.630 29.700 -0.077 0.000 0.746 288 E HN 0.326 nan 8.360 nan 0.000 0.452 289 F N 0.719 120.590 119.950 -0.132 0.000 2.186 289 F HA -0.159 4.382 4.527 0.025 0.000 0.299 289 F C 2.110 177.906 175.800 -0.007 0.000 1.090 289 F CA 1.253 59.222 58.000 -0.052 0.000 1.307 289 F CB -0.047 38.955 39.000 0.003 0.000 1.019 289 F HN -0.102 nan 8.300 nan 0.000 0.489 290 S N -0.388 115.305 115.700 -0.012 0.000 2.388 290 S HA -0.070 4.414 4.470 0.024 0.000 0.223 290 S C 1.680 176.113 174.600 -0.279 0.000 1.034 290 S CA 1.093 59.218 58.200 -0.124 0.000 0.963 290 S CB -0.127 63.060 63.200 -0.021 0.000 0.827 290 S HN 0.382 nan 8.310 nan 0.000 0.481 291 E N 0.374 120.308 120.200 -0.443 0.000 2.364 291 E HA 0.107 4.472 4.350 0.024 0.000 0.196 291 E C 0.127 176.156 176.600 -0.953 0.000 0.990 291 E CA 0.580 56.571 56.400 -0.682 0.000 0.886 291 E CB 0.108 29.267 29.700 -0.902 0.000 0.866 291 E HN 0.563 nan 8.360 nan 0.000 0.493 292 H N -0.383 118.416 119.070 -0.452 0.000 2.767 292 H HA 0.104 4.674 4.556 0.024 0.000 0.235 292 H C 1.163 176.367 175.328 -0.207 0.000 1.256 292 H CA -0.202 55.657 56.048 -0.315 0.000 0.957 292 H CB 0.237 29.771 29.762 -0.380 0.000 2.117 292 H HN 0.188 nan 8.280 nan 0.000 0.602 293 H N 1.912 120.823 119.070 -0.265 0.000 2.265 293 H HA -0.141 4.430 4.556 0.024 0.000 0.293 293 H C 0.452 175.687 175.328 -0.155 0.000 1.089 293 H CA 2.033 57.905 56.048 -0.293 0.000 1.244 293 H CB 0.356 29.840 29.762 -0.464 0.000 1.355 293 H HN 0.326 nan 8.280 nan 0.000 0.485 294 D N 0.319 120.737 120.400 0.031 0.000 2.378 294 D HA -0.069 4.585 4.640 0.024 0.000 0.222 294 D C 1.732 178.022 176.300 -0.017 0.000 0.980 294 D CA 0.584 54.596 54.000 0.020 0.000 0.907 294 D CB -0.249 40.575 40.800 0.041 0.000 0.899 294 D HN 0.621 nan 8.370 nan 0.000 0.527 295 E N -0.298 119.896 120.200 -0.010 0.000 2.447 295 E HA 0.114 4.479 4.350 0.024 0.000 0.195 295 E C 0.456 177.086 176.600 0.051 0.000 1.028 295 E CA -0.145 56.274 56.400 0.033 0.000 0.876 295 E CB 0.619 30.364 29.700 0.076 0.000 0.885 295 E HN 0.272 nan 8.360 nan 0.000 0.500 296 I N 2.078 122.652 120.570 0.006 0.000 2.471 296 I HA 0.043 4.227 4.170 0.024 0.000 0.286 296 I C 0.585 176.723 176.117 0.035 0.000 1.079 296 I CA -0.629 60.708 61.300 0.062 0.000 1.398 296 I CB 0.758 38.731 38.000 -0.045 0.000 1.403 296 I HN -0.011 nan 8.210 nan 0.000 0.530 297 A N 8.566 131.434 122.820 0.081 0.000 2.609 297 A HA 0.045 4.379 4.320 0.024 0.000 0.232 297 A C -1.406 176.188 177.584 0.017 0.000 1.041 297 A CA -0.641 51.418 52.037 0.037 0.000 0.753 297 A CB -0.437 18.583 19.000 0.033 0.000 0.966 297 A HN 0.611 nan 8.150 nan 0.000 0.510 298 P HA -0.273 nan 4.420 nan 0.000 0.216 298 P C 1.647 178.957 177.300 0.018 0.000 1.167 298 P CA 2.277 65.383 63.100 0.010 0.000 0.933 298 P CB -0.112 31.597 31.700 0.014 0.000 0.793 299 M N -2.310 117.304 119.600 0.024 0.000 2.086 299 M HA -0.152 4.343 4.480 0.024 0.000 0.261 299 M C 2.136 178.456 176.300 0.033 0.000 1.067 299 M CA 1.554 56.873 55.300 0.032 0.000 1.116 299 M CB -0.963 31.658 32.600 0.036 0.000 1.348 299 M HN -0.043 nan 8.290 nan 0.000 0.407 300 L N 0.393 121.632 121.223 0.026 0.000 2.046 300 L HA -0.149 4.205 4.340 0.024 0.000 0.208 300 L C 2.425 179.298 176.870 0.005 0.000 1.077 300 L CA 1.873 56.720 54.840 0.012 0.000 0.747 300 L CB -0.721 41.335 42.059 -0.004 0.000 0.896 300 L HN 0.168 nan 8.230 nan 0.000 0.432 301 R N -0.626 119.873 120.500 -0.001 0.000 2.105 301 R HA -0.162 4.192 4.340 0.024 0.000 0.239 301 R C 2.145 178.480 176.300 0.058 0.000 1.135 301 R CA 1.451 57.537 56.100 -0.022 0.000 0.967 301 R CB -0.352 29.883 30.300 -0.109 0.000 0.861 301 R HN 0.557 nan 8.270 nan 0.000 0.442 302 A N 0.132 122.984 122.820 0.053 0.000 1.897 302 A HA -0.148 4.186 4.320 0.024 0.000 0.215 302 A C 2.123 179.756 177.584 0.081 0.000 1.181 302 A CA 1.712 53.795 52.037 0.077 0.000 0.620 302 A CB -0.621 18.413 19.000 0.056 0.000 0.821 302 A HN 0.566 nan 8.150 nan 0.000 0.443 303 S N -0.028 115.706 115.700 0.057 0.000 2.399 303 S HA -0.079 4.405 4.470 0.024 0.000 0.231 303 S C 1.856 176.475 174.600 0.032 0.000 1.022 303 S CA 1.445 59.672 58.200 0.047 0.000 0.983 303 S CB -0.627 62.601 63.200 0.047 0.000 0.803 303 S HN 0.434 nan 8.310 nan 0.000 0.480 304 L N 1.234 122.458 121.223 0.003 0.000 2.068 304 L HA -0.022 4.332 4.340 0.024 0.000 0.204 304 L C 2.499 179.470 176.870 0.169 0.000 1.076 304 L CA 1.368 56.133 54.840 -0.125 0.000 0.753 304 L CB -0.677 41.205 42.059 -0.295 0.000 0.910 304 L HN 0.193 nan 8.230 nan 0.000 0.439 305 D N 0.605 121.192 120.400 0.312 0.000 2.133 305 D HA -0.196 4.459 4.640 0.024 0.000 0.195 305 D C 2.097 178.522 176.300 0.209 0.000 0.997 305 D CA 1.626 55.847 54.000 0.368 0.000 0.840 305 D CB -0.045 40.949 40.800 0.323 0.000 0.947 305 D HN 0.317 nan 8.370 nan 0.000 0.452 306 A N -0.056 122.852 122.820 0.147 0.000 2.209 306 A HA -0.016 4.319 4.320 0.024 0.000 0.212 306 A C 1.761 179.397 177.584 0.087 0.000 1.158 306 A CA 1.587 53.683 52.037 0.097 0.000 0.742 306 A CB -0.276 18.768 19.000 0.073 0.000 0.790 306 A HN 0.319 nan 8.150 nan 0.000 0.472 307 T N -3.213 111.421 114.554 0.133 0.000 3.132 307 T HA 0.217 4.582 4.350 0.024 0.000 0.274 307 T C 1.202 175.881 174.700 -0.035 0.000 1.011 307 T CA 0.543 62.714 62.100 0.118 0.000 0.899 307 T CB -0.395 68.572 68.868 0.164 0.000 1.089 307 T HN 0.542 nan 8.240 nan 0.000 0.543 308 V N -0.723 119.095 119.914 -0.161 0.000 2.720 308 V HA 0.182 4.317 4.120 0.024 0.000 0.256 308 V C 2.302 178.214 176.094 -0.303 0.000 1.082 308 V CA 1.718 63.702 62.300 -0.526 0.000 1.101 308 V CB -1.356 30.348 31.823 -0.199 0.000 0.693 308 V HN 0.500 nan 8.190 nan 0.000 0.479 309 G N -0.051 108.674 108.800 -0.125 0.000 2.880 309 G HA2 0.203 4.178 3.960 0.024 0.000 0.209 309 G HA3 0.203 4.178 3.960 0.024 0.000 0.209 309 G C 0.630 175.527 174.900 -0.005 0.000 1.157 309 G CA -0.390 44.678 45.100 -0.054 0.000 0.779 309 G HN 0.513 nan 8.290 nan 0.000 0.539 310 L N 2.435 123.669 121.223 0.018 0.000 2.578 310 L HA 0.155 4.510 4.340 0.024 0.000 0.279 310 L C 1.175 178.190 176.870 0.242 0.000 1.227 310 L CA -0.015 54.908 54.840 0.138 0.000 0.900 310 L CB 0.331 42.535 42.059 0.242 0.000 1.144 310 L HN 0.160 nan 8.230 nan 0.000 0.496 311 T N -0.091 114.555 114.554 0.153 0.000 2.943 311 T HA 0.357 4.721 4.350 0.024 0.000 0.284 311 T C -1.970 172.717 174.700 -0.022 0.000 1.015 311 T CA -2.058 60.126 62.100 0.140 0.000 1.042 311 T CB 1.908 70.805 68.868 0.049 0.000 1.055 311 T HN 0.278 nan 8.240 nan 0.000 0.500 312 P HA -0.008 nan 4.420 nan 0.000 0.220 312 P C 1.402 178.624 177.300 -0.129 0.000 1.148 312 P CA 0.797 63.815 63.100 -0.137 0.000 0.803 312 P CB 0.146 31.923 31.700 0.128 0.000 0.782 313 K N 0.889 121.245 120.400 -0.073 0.000 2.001 313 K HA -0.175 4.160 4.320 0.024 0.000 0.208 313 K C 2.074 178.609 176.600 -0.109 0.000 1.048 313 K CA 1.623 57.867 56.287 -0.072 0.000 0.932 313 K CB -0.253 32.224 32.500 -0.038 0.000 0.715 313 K HN 0.146 nan 8.250 nan 0.000 0.437 314 E N -0.576 119.562 120.200 -0.103 0.000 2.204 314 E HA -0.235 4.130 4.350 0.024 0.000 0.194 314 E C 1.953 178.464 176.600 -0.149 0.000 0.989 314 E CA 0.804 57.142 56.400 -0.104 0.000 0.824 314 E CB -0.479 29.183 29.700 -0.063 0.000 0.756 314 E HN 0.463 nan 8.360 nan 0.000 0.477 315 Y N 2.671 122.723 120.300 -0.415 0.000 2.200 315 Y HA -0.139 4.426 4.550 0.024 0.000 0.290 315 Y C 1.600 177.288 175.900 -0.353 0.000 1.137 315 Y CA 1.870 59.641 58.100 -0.547 0.000 1.163 315 Y CB -0.189 37.499 38.460 -1.286 0.000 0.988 315 Y HN -0.080 nan 8.280 nan 0.000 0.518 316 D N 0.105 120.240 120.400 -0.442 0.000 2.144 316 D HA -0.171 4.484 4.640 0.024 0.000 0.199 316 D C 1.990 178.101 176.300 -0.315 0.000 0.984 316 D CA 1.612 55.358 54.000 -0.422 0.000 0.834 316 D CB -0.256 40.413 40.800 -0.219 0.000 0.955 316 D HN 0.433 nan 8.370 nan 0.000 0.465 317 E N 1.118 121.182 120.200 -0.226 0.000 2.077 317 E HA -0.081 4.283 4.350 0.024 0.000 0.193 317 E C 1.894 178.383 176.600 -0.184 0.000 0.989 317 E CA 1.327 57.627 56.400 -0.168 0.000 0.800 317 E CB -0.330 29.299 29.700 -0.120 0.000 0.746 317 E HN 0.149 nan 8.360 nan 0.000 0.452 318 A N 0.742 123.433 122.820 -0.216 0.000 1.902 318 A HA -0.172 4.162 4.320 0.024 0.000 0.217 318 A C 2.215 179.653 177.584 -0.245 0.000 1.181 318 A CA 1.660 53.576 52.037 -0.202 0.000 0.623 318 A CB -0.458 18.436 19.000 -0.176 0.000 0.818 318 A HN 0.212 nan 8.150 nan 0.000 0.443 319 R N -0.779 119.510 120.500 -0.352 0.000 2.148 319 R HA -0.031 4.323 4.340 0.024 0.000 0.223 319 R C 2.369 178.533 176.300 -0.227 0.000 1.088 319 R CA 1.090 56.992 56.100 -0.331 0.000 0.985 319 R CB -0.204 29.817 30.300 -0.465 0.000 0.880 319 R HN 0.530 nan 8.270 nan 0.000 0.451 320 R N 0.550 120.929 120.500 -0.202 0.000 2.062 320 R HA -0.050 4.305 4.340 0.024 0.000 0.231 320 R C 2.271 178.497 176.300 -0.123 0.000 1.136 320 R CA 1.323 57.337 56.100 -0.144 0.000 0.948 320 R CB -0.407 29.819 30.300 -0.124 0.000 0.845 320 R HN 0.170 nan 8.270 nan 0.000 0.430 321 I N 0.561 121.056 120.570 -0.125 0.000 2.264 321 I HA -0.212 3.973 4.170 0.024 0.000 0.248 321 I C 2.548 178.598 176.117 -0.112 0.000 1.111 321 I CA 1.472 62.709 61.300 -0.106 0.000 1.382 321 I CB -0.720 37.219 38.000 -0.102 0.000 1.060 321 I HN 0.353 nan 8.210 nan 0.000 0.418 322 G N 0.637 109.354 108.800 -0.138 0.000 2.433 322 G HA2 -0.233 3.742 3.960 0.024 0.000 0.216 322 G HA3 -0.233 3.742 3.960 0.024 0.000 0.216 322 G C 1.814 176.642 174.900 -0.120 0.000 1.186 322 G CA 0.487 45.502 45.100 -0.142 0.000 0.779 322 G HN 0.270 nan 8.290 nan 0.000 0.543 323 R N -0.017 120.412 120.500 -0.118 0.000 2.083 323 R HA -0.016 4.339 4.340 0.024 0.000 0.237 323 R C 2.887 179.143 176.300 -0.073 0.000 1.137 323 R CA 1.252 57.293 56.100 -0.097 0.000 0.951 323 R CB -0.259 29.985 30.300 -0.092 0.000 0.851 323 R HN 0.286 nan 8.270 nan 0.000 0.434 324 R N -0.513 119.945 120.500 -0.070 0.000 2.091 324 R HA -0.114 4.241 4.340 0.024 0.000 0.238 324 R C 2.409 178.684 176.300 -0.042 0.000 1.136 324 R CA 1.449 57.517 56.100 -0.052 0.000 0.959 324 R CB -0.641 29.626 30.300 -0.054 0.000 0.856 324 R HN 0.354 nan 8.270 nan 0.000 0.437 325 G N 1.178 109.945 108.800 -0.055 0.000 2.440 325 G HA2 -0.272 3.702 3.960 0.024 0.000 0.218 325 G HA3 -0.272 3.702 3.960 0.024 0.000 0.218 325 G C 1.461 176.354 174.900 -0.011 0.000 1.154 325 G CA 0.502 45.575 45.100 -0.044 0.000 0.767 325 G HN 0.273 nan 8.290 nan 0.000 0.552 326 R N -0.221 120.263 120.500 -0.026 0.000 2.075 326 R HA 0.033 4.388 4.340 0.024 0.000 0.232 326 R C 2.632 178.945 176.300 0.021 0.000 1.126 326 R CA 1.053 57.151 56.100 -0.003 0.000 0.963 326 R CB -0.313 29.949 30.300 -0.063 0.000 0.858 326 R HN 0.328 nan 8.270 nan 0.000 0.435 327 R N 1.632 122.131 120.500 -0.001 0.000 2.070 327 R HA -0.157 4.198 4.340 0.024 0.000 0.233 327 R C 1.702 178.026 176.300 0.040 0.000 1.137 327 R CA 1.788 57.895 56.100 0.012 0.000 0.945 327 R CB -0.027 30.269 30.300 -0.006 0.000 0.845 327 R HN 0.244 nan 8.270 nan 0.000 0.430 328 E N 0.187 120.406 120.200 0.032 0.000 2.274 328 E HA -0.161 4.203 4.350 0.024 0.000 0.194 328 E C 1.849 178.498 176.600 0.082 0.000 0.996 328 E CA 0.635 57.060 56.400 0.042 0.000 0.840 328 E CB 0.011 29.719 29.700 0.014 0.000 0.772 328 E HN 0.241 nan 8.360 nan 0.000 0.491 329 L N 0.504 121.799 121.223 0.120 0.000 2.072 329 L HA 0.019 4.373 4.340 0.024 0.000 0.205 329 L C 2.191 179.250 176.870 0.314 0.000 1.079 329 L CA 2.004 56.970 54.840 0.210 0.000 0.752 329 L CB -0.855 41.370 42.059 0.277 0.000 0.906 329 L HN 0.053 nan 8.230 nan 0.000 0.436 330 G N -0.914 108.052 108.800 0.277 0.000 2.469 330 G HA2 -0.280 3.694 3.960 0.024 0.000 0.220 330 G HA3 -0.280 3.694 3.960 0.024 0.000 0.220 330 G C 1.404 176.467 174.900 0.271 0.000 1.136 330 G CA 0.933 46.217 45.100 0.308 0.000 0.759 330 G HN 0.571 nan 8.290 nan 0.000 0.562 331 E N -0.055 120.244 120.200 0.165 0.000 2.110 331 E HA -0.081 4.283 4.350 0.024 0.000 0.193 331 E C 2.671 179.330 176.600 0.098 0.000 0.988 331 E CA 0.817 57.284 56.400 0.112 0.000 0.804 331 E CB -0.128 29.612 29.700 0.066 0.000 0.745 331 E HN 0.331 nan 8.360 nan 0.000 0.458 332 V N 0.742 120.701 119.914 0.075 0.000 2.392 332 V HA -0.234 3.900 4.120 0.024 0.000 0.249 332 V C 1.676 177.711 176.094 -0.099 0.000 1.059 332 V CA 1.568 63.840 62.300 -0.047 0.000 1.051 332 V CB -0.517 31.224 31.823 -0.136 0.000 0.658 332 V HN 0.230 nan 8.190 nan 0.000 0.455 333 F N 0.359 120.349 119.950 0.065 0.000 2.773 333 F HA -0.015 4.509 4.527 -0.005 0.000 0.299 333 F C 2.049 177.876 175.800 0.045 0.000 1.204 333 F CA 0.685 58.719 58.000 0.057 0.000 1.454 333 F CB -0.424 38.619 39.000 0.071 0.000 1.117 333 F HN 0.292 nan 8.300 nan 0.000 0.590 334 E N -0.644 119.649 120.200 0.156 0.000 2.478 334 E HA 0.025 4.390 4.350 0.024 0.000 0.194 334 E C 2.265 178.904 176.600 0.065 0.000 1.045 334 E CA 0.544 57.007 56.400 0.105 0.000 0.868 334 E CB 0.037 29.783 29.700 0.076 0.000 0.885 334 E HN 0.485 nan 8.360 nan 0.000 0.505 335 G N 1.129 109.953 108.800 0.041 0.000 2.724 335 G HA2 0.108 4.082 3.960 0.024 0.000 0.205 335 G HA3 0.108 4.082 3.960 0.024 0.000 0.205 335 G C 0.648 175.555 174.900 0.011 0.000 1.112 335 G CA 0.308 45.416 45.100 0.014 0.000 0.793 335 G HN 0.132 nan 8.290 nan 0.000 0.526 336 V N -2.750 117.169 119.914 0.008 0.000 3.074 336 V HA 0.577 4.712 4.120 0.024 0.000 0.314 336 V C 0.077 176.242 176.094 0.118 0.000 1.117 336 V CA -0.749 61.560 62.300 0.015 0.000 1.014 336 V CB 2.073 33.861 31.823 -0.059 0.000 1.057 336 V HN -0.043 nan 8.190 nan 0.000 0.438 337 D N 0.737 121.206 120.400 0.115 0.000 2.183 337 D HA 0.111 4.766 4.640 0.024 0.000 0.205 337 D C 0.742 177.153 176.300 0.185 0.000 0.962 337 D CA 2.019 56.136 54.000 0.196 0.000 0.849 337 D CB 0.926 41.859 40.800 0.220 0.000 0.978 337 D HN 0.757 nan 8.370 nan 0.000 0.488 338 V N -2.243 117.717 119.914 0.075 0.000 3.159 338 V HA 0.551 4.686 4.120 0.024 0.000 0.308 338 V C -1.076 175.012 176.094 -0.009 0.000 1.190 338 V CA -1.129 61.223 62.300 0.087 0.000 1.037 338 V CB 2.502 34.277 31.823 -0.080 0.000 1.060 338 V HN -0.147 nan 8.190 nan 0.000 0.437 339 L N 2.112 123.313 121.223 -0.038 0.000 2.334 339 L HA 0.696 5.050 4.340 0.024 0.000 0.276 339 L C -1.039 175.727 176.870 -0.175 0.000 1.014 339 L CA -0.720 54.023 54.840 -0.162 0.000 0.815 339 L CB 1.828 43.734 42.059 -0.255 0.000 1.268 339 L HN 0.642 nan 8.230 nan 0.000 0.428 340 L N 2.070 123.194 121.223 -0.166 0.000 2.356 340 L HA 0.757 5.111 4.340 0.024 0.000 0.277 340 L C -0.349 176.392 176.870 -0.215 0.000 0.996 340 L CA 0.443 55.183 54.840 -0.168 0.000 0.822 340 L CB 1.885 43.872 42.059 -0.120 0.000 1.256 340 L HN 0.678 nan 8.230 nan 0.000 0.413 341 T N 2.376 116.789 114.554 -0.236 0.000 2.671 341 T HA 0.492 4.856 4.350 0.024 0.000 0.300 341 T C -1.171 173.381 174.700 -0.248 0.000 1.238 341 T CA -0.437 61.489 62.100 -0.289 0.000 1.020 341 T CB 0.402 69.211 68.868 -0.099 0.000 1.503 341 T HN 0.285 nan 8.240 nan 0.000 0.497 342 Y N 1.135 121.404 120.300 -0.052 0.000 2.497 342 Y HA 0.257 4.825 4.550 0.029 0.000 0.334 342 Y C 1.963 177.853 175.900 -0.017 0.000 1.199 342 Y CA 0.007 58.045 58.100 -0.103 0.000 1.425 342 Y CB 0.593 38.865 38.460 -0.313 0.000 1.291 342 Y HN 0.503 nan 8.280 nan 0.000 0.562 343 S N 0.874 116.655 115.700 0.135 0.000 2.486 343 S HA 0.408 4.893 4.470 0.024 0.000 0.220 343 S C 0.405 175.071 174.600 0.110 0.000 1.011 343 S CA 0.458 58.719 58.200 0.103 0.000 0.921 343 S CB 0.141 63.371 63.200 0.050 0.000 0.785 343 S HN 0.752 nan 8.310 nan 0.000 0.517 344 A N 0.629 123.506 122.820 0.095 0.000 2.564 344 A HA 0.645 4.979 4.320 0.024 0.000 0.291 344 A C -2.653 174.918 177.584 -0.022 0.000 1.102 344 A CA -1.022 51.079 52.037 0.107 0.000 0.660 344 A CB -0.066 19.000 19.000 0.111 0.000 1.283 344 A HN -0.079 nan 8.150 nan 0.000 0.430 345 P HA 0.175 nan 4.420 nan 0.000 0.221 345 P C 0.822 178.068 177.300 -0.090 0.000 1.150 345 P CA 1.956 65.048 63.100 -0.014 0.000 0.800 345 P CB 0.269 32.111 31.700 0.237 0.000 0.787 346 G N -2.341 106.484 108.800 0.043 0.000 2.392 346 G HA2 0.240 4.215 3.960 0.024 0.000 0.260 346 G HA3 0.240 4.215 3.960 0.024 0.000 0.260 346 G C -0.969 173.979 174.900 0.079 0.000 1.226 346 G CA -0.081 45.030 45.100 0.018 0.000 0.913 346 G HN 0.031 nan 8.290 nan 0.000 0.483 347 T N -0.420 114.129 114.554 -0.009 0.000 2.856 347 T HA 0.559 4.923 4.350 0.024 0.000 0.306 347 T C 0.925 175.462 174.700 -0.271 0.000 1.062 347 T CA 0.698 62.743 62.100 -0.092 0.000 1.083 347 T CB 0.979 69.776 68.868 -0.118 0.000 0.984 347 T HN 1.999 nan 8.240 nan 0.000 0.542 348 A N 3.207 125.694 122.820 -0.554 0.000 2.546 348 A HA 0.429 4.763 4.320 0.024 0.000 0.243 348 A C -2.101 175.318 177.584 -0.274 0.000 1.063 348 A CA -1.066 50.383 52.037 -0.980 0.000 0.757 348 A CB -0.946 17.639 19.000 -0.692 0.000 0.991 348 A HN 0.715 nan 8.150 nan 0.000 0.503 349 P HA 0.328 nan 4.420 nan 0.000 0.272 349 P C -0.098 177.162 177.300 -0.068 0.000 1.223 349 P CA 0.045 63.118 63.100 -0.045 0.000 0.784 349 P CB 0.725 32.412 31.700 -0.022 0.000 0.923 350 A N 2.771 125.452 122.820 -0.233 0.000 2.445 350 A HA 0.048 4.382 4.320 0.024 0.000 0.242 350 A C 1.450 178.892 177.584 -0.237 0.000 1.075 350 A CA 0.067 51.784 52.037 -0.534 0.000 0.777 350 A CB 0.015 18.751 19.000 -0.440 0.000 1.013 350 A HN 0.440 nan 8.150 nan 0.000 0.493 351 K N 1.807 122.087 120.400 -0.200 0.000 2.152 351 K HA -0.184 4.150 4.320 0.024 0.000 0.206 351 K C 2.129 178.688 176.600 -0.068 0.000 1.048 351 K CA 1.563 57.799 56.287 -0.084 0.000 0.933 351 K CB -0.668 31.802 32.500 -0.050 0.000 0.721 351 K HN 0.821 nan 8.250 nan 0.000 0.447 352 A N 1.205 123.970 122.820 -0.092 0.000 2.024 352 A HA -0.125 4.209 4.320 0.024 0.000 0.220 352 A C 2.113 179.672 177.584 -0.042 0.000 1.164 352 A CA 1.102 53.102 52.037 -0.061 0.000 0.643 352 A CB -0.544 18.415 19.000 -0.068 0.000 0.806 352 A HN 0.228 nan 8.150 nan 0.000 0.451 353 L N -1.533 119.661 121.223 -0.047 0.000 2.551 353 L HA 0.051 4.406 4.340 0.024 0.000 0.228 353 L C 1.628 178.495 176.870 -0.004 0.000 1.153 353 L CA 0.372 55.200 54.840 -0.021 0.000 0.851 353 L CB -0.525 41.524 42.059 -0.018 0.000 0.959 353 L HN 0.566 nan 8.230 nan 0.000 0.451 354 A N 0.246 123.063 122.820 -0.006 0.000 2.745 354 A HA -0.210 4.125 4.320 0.024 0.000 0.296 354 A C 0.548 178.146 177.584 0.024 0.000 1.500 354 A CA 0.953 52.995 52.037 0.007 0.000 0.766 354 A CB -1.766 17.237 19.000 0.006 0.000 1.030 354 A HN 0.405 nan 8.150 nan 0.000 0.489 355 S N -1.440 114.279 115.700 0.033 0.000 2.540 355 S HA 0.662 5.147 4.470 0.024 0.000 0.275 355 S C 0.926 175.580 174.600 0.089 0.000 1.123 355 S CA 0.682 58.917 58.200 0.059 0.000 0.907 355 S CB 1.534 64.770 63.200 0.061 0.000 1.081 355 S HN 1.510 nan 8.310 nan 0.000 0.476 356 T N 0.730 115.353 114.554 0.115 0.000 3.129 356 T HA 0.517 4.882 4.350 0.024 0.000 0.251 356 T C 1.051 175.916 174.700 0.275 0.000 1.117 356 T CA 0.496 62.698 62.100 0.171 0.000 1.034 356 T CB -0.765 68.186 68.868 0.137 0.000 0.968 356 T HN 1.835 nan 8.240 nan 0.000 0.526 357 G N 0.830 109.769 108.800 0.231 0.000 2.650 357 G HA2 0.024 3.998 3.960 0.024 0.000 0.686 357 G HA3 0.024 3.998 3.960 0.024 0.000 0.686 357 G C -1.306 173.713 174.900 0.198 0.000 1.205 357 G CA -0.638 44.640 45.100 0.297 0.000 0.781 357 G HN 0.387 nan 8.290 nan 0.000 0.648 358 D N 1.494 122.007 120.400 0.188 0.000 2.343 358 D HA 0.478 5.133 4.640 0.024 0.000 0.255 358 D C -1.052 175.328 176.300 0.134 0.000 1.187 358 D CA -1.920 52.161 54.000 0.135 0.000 0.875 358 D CB 1.523 42.400 40.800 0.128 0.000 1.136 358 D HN 0.065 nan 8.370 nan 0.000 0.469 359 P HA 0.059 nan 4.420 nan 0.000 0.253 359 P C 0.990 178.322 177.300 0.053 0.000 1.260 359 P CA 0.105 63.243 63.100 0.063 0.000 0.800 359 P CB 0.018 31.728 31.700 0.016 0.000 1.162 360 R N -0.600 119.917 120.500 0.029 0.000 2.139 360 R HA -0.186 4.168 4.340 0.024 0.000 0.243 360 R C 0.863 177.176 176.300 0.022 0.000 1.145 360 R CA 1.662 57.775 56.100 0.022 0.000 0.976 360 R CB -1.555 28.700 30.300 -0.075 0.000 0.866 360 R HN 0.223 nan 8.270 nan 0.000 0.449 361 Y N 0.527 120.962 120.300 0.225 0.000 2.466 361 Y HA 0.218 4.782 4.550 0.023 0.000 0.272 361 Y C 1.500 177.616 175.900 0.360 0.000 1.169 361 Y CA 0.046 58.302 58.100 0.260 0.000 1.285 361 Y CB 0.217 38.804 38.460 0.212 0.000 1.078 361 Y HN 0.194 nan 8.280 nan 0.000 0.523 362 N N -0.003 118.913 118.700 0.361 0.000 2.564 362 N HA -0.020 4.734 4.740 0.024 0.000 0.202 362 N C 1.962 177.598 175.510 0.210 0.000 1.052 362 N CA 0.350 53.616 53.050 0.361 0.000 0.872 362 N CB -0.172 38.450 38.487 0.226 0.000 1.303 362 N HN 0.368 nan 8.380 nan 0.000 0.440 363 R N 1.692 122.202 120.500 0.016 0.000 2.119 363 R HA -0.139 4.215 4.340 0.024 0.000 0.246 363 R C 2.078 178.299 176.300 -0.132 0.000 1.146 363 R CA 1.318 57.285 56.100 -0.222 0.000 0.962 363 R CB -0.820 29.026 30.300 -0.756 0.000 0.863 363 R HN 0.110 nan 8.270 nan 0.000 0.442 364 L N 0.737 121.865 121.223 -0.158 0.000 1.989 364 L HA -0.116 4.239 4.340 0.024 0.000 0.211 364 L C 2.038 178.718 176.870 -0.316 0.000 1.071 364 L CA 1.776 56.424 54.840 -0.320 0.000 0.749 364 L CB -0.730 40.962 42.059 -0.612 0.000 0.890 364 L HN 0.328 nan 8.230 nan 0.000 0.431 365 W N -0.569 120.840 121.300 0.181 0.000 2.363 365 W HA -0.145 4.532 4.660 0.028 0.000 0.296 365 W C 2.416 179.010 176.519 0.125 0.000 1.212 365 W CA 1.150 58.590 57.345 0.158 0.000 1.260 365 W CB -1.262 28.297 29.460 0.165 0.000 1.131 365 W HN 0.058 nan 8.180 nan 0.000 0.530 366 T N 1.253 115.965 114.554 0.264 0.000 2.867 366 T HA -0.183 4.182 4.350 0.024 0.000 0.268 366 T C 1.745 176.482 174.700 0.061 0.000 1.057 366 T CA 1.349 63.561 62.100 0.187 0.000 1.136 366 T CB -0.465 68.507 68.868 0.174 0.000 0.874 366 T HN 0.012 nan 8.240 nan 0.000 0.466 367 L N 0.689 121.929 121.223 0.027 0.000 2.072 367 L HA 0.099 4.454 4.340 0.024 0.000 0.205 367 L C 2.100 178.890 176.870 -0.134 0.000 1.079 367 L CA 1.607 56.384 54.840 -0.106 0.000 0.752 367 L CB -0.583 41.432 42.059 -0.073 0.000 0.906 367 L HN 0.119 nan 8.230 nan 0.000 0.436 368 M N -0.732 118.857 119.600 -0.017 0.000 2.229 368 M HA 0.105 4.600 4.480 0.024 0.000 0.264 368 M C 1.879 178.213 176.300 0.058 0.000 1.063 368 M CA 1.270 56.587 55.300 0.028 0.000 1.114 368 M CB -1.472 31.227 32.600 0.165 0.000 1.387 368 M HN 0.530 nan 8.290 nan 0.000 0.420 369 G N 0.305 109.196 108.800 0.150 0.000 2.213 369 G HA2 -0.235 3.739 3.960 0.024 0.000 0.236 369 G HA3 -0.235 3.739 3.960 0.024 0.000 0.236 369 G C 0.085 175.289 174.900 0.506 0.000 0.991 369 G CA 0.225 45.519 45.100 0.323 0.000 0.629 369 G HN 0.479 nan 8.290 nan 0.000 0.517 370 N N 2.670 121.626 118.700 0.427 0.000 2.374 370 N HA 0.418 5.173 4.740 0.024 0.000 0.241 370 N C -2.047 173.586 175.510 0.206 0.000 1.262 370 N CA -0.144 53.099 53.050 0.322 0.000 0.880 370 N CB 0.644 39.307 38.487 0.294 0.000 1.105 370 N HN 0.277 nan 8.380 nan 0.000 0.438 371 P HA 0.165 nan 4.420 nan 0.000 0.276 371 P C -0.795 176.525 177.300 0.034 0.000 1.230 371 P CA -0.236 62.893 63.100 0.048 0.000 0.776 371 P CB 0.554 32.254 31.700 -0.000 0.000 0.888 372 C N 2.849 122.167 119.300 0.029 0.000 2.626 372 C HA 0.618 5.092 4.460 0.024 0.000 0.310 372 C C -0.075 174.899 174.990 -0.027 0.000 1.191 372 C CA -0.461 58.548 59.018 -0.015 0.000 1.517 372 C CB 1.722 29.468 27.740 0.009 0.000 2.102 372 C HN 0.352 nan 8.230 nan 0.000 0.479 373 V N 3.238 123.127 119.914 -0.042 0.000 2.638 373 V HA 0.454 4.588 4.120 0.024 0.000 0.306 373 V C -0.290 175.780 176.094 -0.040 0.000 1.052 373 V CA -0.516 61.761 62.300 -0.038 0.000 0.885 373 V CB 1.776 33.590 31.823 -0.014 0.000 0.999 373 V HN 0.895 nan 8.190 nan 0.000 0.424 374 N N 3.006 121.681 118.700 -0.043 0.000 2.499 374 N HA 0.424 5.179 4.740 0.024 0.000 0.281 374 N C -1.334 174.167 175.510 -0.015 0.000 1.098 374 N CA -0.138 52.897 53.050 -0.025 0.000 0.979 374 N CB 1.848 40.325 38.487 -0.016 0.000 1.121 374 N HN 0.437 nan 8.380 nan 0.000 0.466 375 V N 5.452 125.360 119.914 -0.009 0.000 2.380 375 V HA 0.322 4.457 4.120 0.024 0.000 0.286 375 V C -2.217 173.874 176.094 -0.004 0.000 1.015 375 V CA -1.687 60.610 62.300 -0.006 0.000 0.834 375 V CB 1.455 33.276 31.823 -0.004 0.000 1.009 375 V HN 0.675 nan 8.190 nan 0.000 0.428 376 P HA 0.108 nan 4.420 nan 0.000 0.265 376 P C 0.442 177.735 177.300 -0.011 0.000 1.193 376 P CA 0.460 63.558 63.100 -0.002 0.000 0.765 376 P CB 1.217 32.919 31.700 0.003 0.000 0.823 377 V N 2.705 122.610 119.914 -0.015 0.000 2.948 377 V HA 0.186 4.321 4.120 0.024 0.000 0.234 377 V C 0.623 176.704 176.094 -0.022 0.000 1.205 377 V CA 1.077 63.365 62.300 -0.019 0.000 1.234 377 V CB -0.350 31.463 31.823 -0.017 0.000 1.020 377 V HN 0.466 nan 8.190 nan 0.000 0.491 378 L N -2.241 118.967 121.223 -0.026 0.000 2.910 378 L HA 0.715 5.069 4.340 0.024 0.000 0.271 378 L C -1.288 175.554 176.870 -0.046 0.000 1.056 378 L CA -1.084 53.738 54.840 -0.030 0.000 1.006 378 L CB 1.428 43.473 42.059 -0.023 0.000 1.589 378 L HN -0.108 nan 8.230 nan 0.000 0.365 379 K N -0.140 120.232 120.400 -0.046 0.000 2.501 379 K HA 0.829 5.163 4.320 0.024 0.000 0.252 379 K C -1.784 174.785 176.600 -0.052 0.000 0.934 379 K CA -0.770 55.478 56.287 -0.065 0.000 0.797 379 K CB 2.884 35.343 32.500 -0.069 0.000 1.270 379 K HN 0.439 nan 8.250 nan 0.000 0.431 380 V N 1.341 121.218 119.914 -0.062 0.000 2.487 380 V HA 0.458 4.593 4.120 0.024 0.000 0.298 380 V C 0.922 176.977 176.094 -0.065 0.000 1.028 380 V CA -0.295 61.974 62.300 -0.051 0.000 0.860 380 V CB 1.269 33.065 31.823 -0.045 0.000 0.991 380 V HN 1.048 nan 8.190 nan 0.000 0.427 381 G N 3.364 112.134 108.800 -0.049 0.000 2.233 381 G HA2 -0.003 3.972 3.960 0.024 0.000 0.270 381 G HA3 -0.003 3.972 3.960 0.024 0.000 0.270 381 G C 1.207 176.064 174.900 -0.071 0.000 1.011 381 G CA 0.953 46.022 45.100 -0.052 0.000 0.762 381 G HN 2.362 nan 8.290 nan 0.000 0.511 382 G N -2.367 106.395 108.800 -0.064 0.000 2.176 382 G HA2 -0.173 3.801 3.960 0.024 0.000 0.253 382 G HA3 -0.173 3.801 3.960 0.024 0.000 0.253 382 G C 0.243 175.085 174.900 -0.098 0.000 0.979 382 G CA 0.433 45.499 45.100 -0.057 0.000 0.641 382 G HN 1.185 nan 8.290 nan 0.000 0.530 383 L N 1.190 122.321 121.223 -0.153 0.000 2.282 383 L HA 0.423 4.778 4.340 0.024 0.000 0.288 383 L C -2.007 174.748 176.870 -0.192 0.000 1.033 383 L CA -1.674 53.039 54.840 -0.212 0.000 0.807 383 L CB 1.176 43.066 42.059 -0.282 0.000 1.209 383 L HN -0.131 nan 8.230 nan 0.000 0.423 384 P HA 0.140 nan 4.420 nan 0.000 0.267 384 P C -0.674 176.583 177.300 -0.072 0.000 1.200 384 P CA 0.183 63.155 63.100 -0.213 0.000 0.772 384 P CB 0.731 32.221 31.700 -0.349 0.000 0.855 385 I N 1.835 122.382 120.570 -0.038 0.000 2.569 385 I HA 0.504 4.688 4.170 0.024 0.000 0.290 385 I C 0.533 176.658 176.117 0.013 0.000 1.088 385 I CA -0.124 61.183 61.300 0.011 0.000 1.047 385 I CB 1.721 39.722 38.000 0.002 0.000 1.237 385 I HN 0.443 nan 8.210 nan 0.000 0.421 386 G N 4.747 113.568 108.800 0.035 0.000 2.816 386 G HA2 0.828 4.803 3.960 0.024 0.000 0.288 386 G HA3 0.828 4.803 3.960 0.024 0.000 0.288 386 G C -0.999 173.913 174.900 0.021 0.000 1.334 386 G CA -0.536 44.577 45.100 0.021 0.000 0.978 386 G HN 0.496 nan 8.290 nan 0.000 0.493 387 V N -2.345 117.568 119.914 -0.002 0.000 3.102 387 V HA 0.870 5.004 4.120 0.024 0.000 0.312 387 V C -0.854 175.220 176.094 -0.035 0.000 1.135 387 V CA -1.042 61.243 62.300 -0.026 0.000 1.022 387 V CB 1.412 33.201 31.823 -0.056 0.000 1.056 387 V HN 1.070 nan 8.190 nan 0.000 0.436 388 Q N 0.895 120.656 119.800 -0.064 0.000 2.356 388 Q HA 0.820 5.175 4.340 0.024 0.000 0.270 388 Q C -1.684 174.239 176.000 -0.129 0.000 1.058 388 Q CA -0.906 54.848 55.803 -0.082 0.000 0.802 388 Q CB 2.434 31.125 28.738 -0.079 0.000 1.303 388 Q HN 0.599 nan 8.270 nan 0.000 0.444 389 V N 4.526 124.380 119.914 -0.100 0.000 2.383 389 V HA 0.412 4.547 4.120 0.024 0.000 0.275 389 V C -0.258 175.763 176.094 -0.122 0.000 1.036 389 V CA -0.406 61.834 62.300 -0.100 0.000 0.889 389 V CB 0.718 32.512 31.823 -0.048 0.000 0.985 389 V HN 0.705 nan 8.190 nan 0.000 0.459 390 I N 4.369 124.848 120.570 -0.151 0.000 2.433 390 I HA 0.790 4.974 4.170 0.024 0.000 0.292 390 I C 0.307 176.470 176.117 0.076 0.000 1.001 390 I CA -0.360 60.870 61.300 -0.116 0.000 1.119 390 I CB 1.837 39.623 38.000 -0.355 0.000 1.289 390 I HN 0.661 nan 8.210 nan 0.000 0.438 391 A N 5.939 128.767 122.820 0.013 0.000 2.344 391 A HA 0.678 5.013 4.320 0.024 0.000 0.307 391 A C -0.175 177.059 177.584 -0.583 0.000 1.151 391 A CA -0.784 51.197 52.037 -0.094 0.000 0.842 391 A CB 1.208 20.152 19.000 -0.093 0.000 1.350 391 A HN 0.782 nan 8.150 nan 0.000 0.459 392 R N -0.128 119.724 120.500 -1.079 0.000 2.756 392 R HA 0.090 4.444 4.340 0.024 0.000 0.264 392 R C -0.541 175.549 176.300 -0.351 0.000 1.026 392 R CA -0.157 55.283 56.100 -1.099 0.000 1.121 392 R CB 0.049 29.949 30.300 -0.666 0.000 0.999 392 R HN 0.617 nan 8.270 nan 0.000 0.449 393 F N 2.875 122.661 119.950 -0.274 0.000 2.629 393 F HA 0.100 4.640 4.527 0.020 0.000 0.377 393 F C 1.358 177.118 175.800 -0.067 0.000 1.101 393 F CA 2.063 60.011 58.000 -0.087 0.000 1.301 393 F CB 0.492 39.483 39.000 -0.015 0.000 1.062 393 F HN 0.847 nan 8.300 nan 0.000 0.583 394 G N 3.783 112.126 108.800 -0.761 0.000 2.205 394 G HA2 -0.352 3.622 3.960 0.024 0.000 0.261 394 G HA3 -0.352 3.622 3.960 0.024 0.000 0.261 394 G C 0.669 175.415 174.900 -0.256 0.000 0.980 394 G CA 0.292 45.092 45.100 -0.501 0.000 0.632 394 G HN 0.704 nan 8.290 nan 0.000 0.533 395 N N 1.084 119.665 118.700 -0.199 0.000 2.714 395 N HA 0.236 4.990 4.740 0.024 0.000 0.298 395 N C 0.851 176.319 175.510 -0.069 0.000 1.298 395 N CA 0.522 53.503 53.050 -0.115 0.000 1.007 395 N CB 0.163 38.605 38.487 -0.076 0.000 1.318 395 N HN 0.399 nan 8.380 nan 0.000 0.516 396 D N 0.801 121.154 120.400 -0.080 0.000 2.104 396 D HA -0.149 4.506 4.640 0.024 0.000 0.194 396 D C 1.953 178.299 176.300 0.077 0.000 0.994 396 D CA 1.318 55.341 54.000 0.038 0.000 0.830 396 D CB 0.039 40.951 40.800 0.187 0.000 0.959 396 D HN 0.322 nan 8.370 nan 0.000 0.452 397 A N 0.060 122.843 122.820 -0.060 0.000 1.917 397 A HA -0.302 4.033 4.320 0.024 0.000 0.219 397 A C 2.046 179.696 177.584 0.111 0.000 1.182 397 A CA 1.980 53.998 52.037 -0.031 0.000 0.633 397 A CB -1.052 17.820 19.000 -0.213 0.000 0.819 397 A HN 0.495 nan 8.150 nan 0.000 0.448 398 H N -1.091 117.958 119.070 -0.035 0.000 2.462 398 H HA 0.088 4.642 4.556 -0.003 0.000 0.292 398 H C 2.301 177.646 175.328 0.028 0.000 1.049 398 H CA 0.690 56.732 56.048 -0.009 0.000 1.334 398 H CB 0.064 29.806 29.762 -0.033 0.000 1.404 398 H HN 0.506 nan 8.280 nan 0.000 0.544 399 A N 0.917 123.761 122.820 0.040 0.000 1.898 399 A HA -0.114 4.220 4.320 0.024 0.000 0.216 399 A C 2.448 180.062 177.584 0.051 0.000 1.181 399 A CA 0.963 52.989 52.037 -0.017 0.000 0.620 399 A CB -0.669 18.331 19.000 -0.001 0.000 0.819 399 A HN 0.386 nan 8.150 nan 0.000 0.442 400 L N -0.818 120.478 121.223 0.121 0.000 2.027 400 L HA -0.167 4.187 4.340 0.024 0.000 0.206 400 L C 3.123 180.147 176.870 0.258 0.000 1.074 400 L CA 1.058 56.001 54.840 0.172 0.000 0.745 400 L CB -0.589 41.599 42.059 0.214 0.000 0.898 400 L HN 0.423 nan 8.230 nan 0.000 0.433 401 A N -0.419 122.559 122.820 0.262 0.000 1.908 401 A HA -0.214 4.121 4.320 0.024 0.000 0.218 401 A C 2.356 180.096 177.584 0.260 0.000 1.181 401 A CA 2.459 54.667 52.037 0.286 0.000 0.627 401 A CB -0.935 18.209 19.000 0.241 0.000 0.818 401 A HN 0.404 nan 8.150 nan 0.000 0.445 402 T N -0.009 114.633 114.554 0.146 0.000 2.857 402 T HA 0.095 4.459 4.350 0.024 0.000 0.266 402 T C 2.192 177.034 174.700 0.236 0.000 1.048 402 T CA 1.256 63.424 62.100 0.113 0.000 1.139 402 T CB -0.338 68.455 68.868 -0.124 0.000 0.874 402 T HN 0.585 nan 8.240 nan 0.000 0.455 403 A N 0.987 123.914 122.820 0.178 0.000 1.930 403 A HA -0.096 4.238 4.320 0.024 0.000 0.217 403 A C 2.090 179.817 177.584 0.237 0.000 1.175 403 A CA 1.104 53.235 52.037 0.155 0.000 0.627 403 A CB -0.899 18.155 19.000 0.090 0.000 0.815 403 A HN 0.631 nan 8.150 nan 0.000 0.443 404 W N 0.221 121.571 121.300 0.083 0.000 2.355 404 W HA -0.200 4.475 4.660 0.025 0.000 0.309 404 W C 1.932 178.502 176.519 0.083 0.000 1.206 404 W CA 1.354 58.743 57.345 0.073 0.000 1.284 404 W CB -1.107 28.405 29.460 0.086 0.000 1.145 404 W HN 0.454 nan 8.180 nan 0.000 0.502 405 F N 0.776 120.862 119.950 0.228 0.000 2.126 405 F HA -0.231 4.327 4.527 0.051 0.000 0.299 405 F C 2.313 178.168 175.800 0.092 0.000 1.096 405 F CA 2.201 60.252 58.000 0.085 0.000 1.255 405 F CB -0.962 38.056 39.000 0.030 0.000 0.997 405 F HN -0.161 nan 8.300 nan 0.000 0.479 406 L N 0.316 121.510 121.223 -0.048 0.000 2.046 406 L HA -0.206 4.149 4.340 0.024 0.000 0.208 406 L C 2.399 179.179 176.870 -0.150 0.000 1.077 406 L CA 1.921 56.645 54.840 -0.193 0.000 0.747 406 L CB -0.554 41.522 42.059 0.028 0.000 0.896 406 L HN 0.267 nan 8.230 nan 0.000 0.432 407 E N -0.170 120.024 120.200 -0.011 0.000 2.070 407 E HA -0.270 4.094 4.350 0.024 0.000 0.197 407 E C 1.720 178.310 176.600 -0.017 0.000 1.004 407 E CA 1.660 58.062 56.400 0.005 0.000 0.805 407 E CB -0.134 29.597 29.700 0.051 0.000 0.744 407 E HN 0.538 nan 8.360 nan 0.000 0.451 408 D N 0.405 120.810 120.400 0.008 0.000 2.144 408 D HA -0.123 4.532 4.640 0.024 0.000 0.199 408 D C 1.898 178.115 176.300 -0.137 0.000 0.984 408 D CA 1.243 55.229 54.000 -0.023 0.000 0.834 408 D CB -0.293 40.511 40.800 0.006 0.000 0.955 408 D HN 0.177 nan 8.370 nan 0.000 0.465 409 A N 0.745 123.381 122.820 -0.307 0.000 1.902 409 A HA -0.127 4.207 4.320 0.024 0.000 0.217 409 A C 2.388 179.869 177.584 -0.173 0.000 1.181 409 A CA 0.941 52.780 52.037 -0.329 0.000 0.623 409 A CB -0.789 17.863 19.000 -0.580 0.000 0.818 409 A HN 0.206 nan 8.150 nan 0.000 0.443 410 L N -0.789 120.352 121.223 -0.138 0.000 2.093 410 L HA -0.139 4.216 4.340 0.024 0.000 0.208 410 L C 2.869 179.706 176.870 -0.054 0.000 1.085 410 L CA 0.831 55.623 54.840 -0.080 0.000 0.755 410 L CB -0.436 41.587 42.059 -0.061 0.000 0.904 410 L HN 0.417 nan 8.230 nan 0.000 0.435 411 A N -0.953 121.837 122.820 -0.049 0.000 2.259 411 A HA -0.142 4.192 4.320 0.024 0.000 0.212 411 A C 0.715 178.283 177.584 -0.027 0.000 1.178 411 A CA 0.554 52.575 52.037 -0.026 0.000 0.734 411 A CB -0.192 18.803 19.000 -0.010 0.000 0.774 411 A HN 0.359 nan 8.150 nan 0.000 0.481 412 K N -2.107 118.267 120.400 -0.043 0.000 3.335 412 K HA -0.132 4.202 4.320 0.024 0.000 0.271 412 K C 0.026 176.609 176.600 -0.030 0.000 1.105 412 K CA 1.093 57.358 56.287 -0.036 0.000 0.799 412 K CB -2.466 30.020 32.500 -0.023 0.000 1.309 412 K HN 1.483 nan 8.250 nan 0.000 0.469 413 S N 0.000 115.676 115.700 -0.040 0.000 2.498 413 S HA 0.000 4.484 4.470 0.024 0.000 0.327 413 S CA 0.000 nan 58.200 nan 0.000 1.107 413 S CB 0.000 nan 63.200 nan 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517