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 3p0b_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMARFALVL HAHLPYVRAH GMWPFGEETL YEAMAETYLP LIRVLERLRA DATA SEQUENCE EGVEAPFTLG ITPILAEQLA DARIKEGFWA YAKDRLERAQ GDYQRYRGTA DATA SEQUENCE LEASARHQVA FWELTLDHFQ RLSGDLVAAF RKAEEGGQVE LITSNATHGY DATA SEQUENCE SPLLGYDEAL WAQIKTGVST YRRHFAKDPT GFWLPEMAYR PKGPWKPPVE DATA SEQUENCE GPPEGVRPGV DELLMRAGIR YTFVDAHLVQ GGEPLSXXXX XXXXPVESQE DATA SEQUENCE ATYHVHELES GLRVLARNPE TTLQVWSADY GYPGEGLYRE FHRKDPLSGL DATA SEQUENCE HHWRVTHRKA DLAEKAPYDP EAAFAKTEEH ARHFVGLLER LAGRHPEGVI DATA SEQUENCE LSPYDAELFG HWWYEGVAWL EAVLRLLAQN PKVRPVTARE AVQGPAVRTA DATA SEQUENCE LPEGSWGRGG DHRVWLNEKT LDYWEKVYRA EGAMREAARR GVLPEGVLRQ DATA SEQUENCE AMRELLLLEA SDWPFLMETG QAEAYARERY EEHARAFFHL LKGASPEELR DATA SEQUENCE ALEERDNPFP EADPRLYLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.605 174.600 0.009 0.000 1.055 -1 S CA 0.000 58.206 58.200 0.009 0.000 1.107 -1 S CB 0.000 nan 63.200 nan 0.000 0.593 0 H N 0.822 119.898 119.070 0.010 0.000 2.604 0 H HA -0.095 4.451 4.556 -0.017 0.000 0.321 0 H C 0.369 175.705 175.328 0.014 0.000 1.132 0 H CA 1.494 57.548 56.048 0.009 0.000 1.129 0 H CB -2.231 nan 29.762 nan 0.000 1.526 0 H HN 1.088 nan 8.280 nan 0.000 0.415 1 M N 0.491 120.105 119.600 0.022 0.000 2.250 1 M HA 0.607 5.076 4.480 -0.017 0.000 0.344 1 M C 1.277 177.604 176.300 0.046 0.000 1.150 1 M CA 0.481 55.800 55.300 0.032 0.000 1.147 1 M CB 1.681 34.304 32.600 0.038 0.000 1.498 1 M HN 0.924 nan 8.290 nan 0.000 0.461 2 A N 2.192 125.048 122.820 0.059 0.000 2.425 2 A HA 0.432 4.741 4.320 -0.017 0.000 0.242 2 A C -0.363 177.293 177.584 0.120 0.000 1.077 2 A CA -0.281 51.811 52.037 0.091 0.000 0.781 2 A CB 0.221 19.287 19.000 0.110 0.000 1.020 2 A HN 0.822 nan 8.150 nan 0.000 0.494 3 R N 0.384 120.966 120.500 0.137 0.000 2.229 3 R HA 0.415 4.744 4.340 -0.017 0.000 0.332 3 R C -1.109 175.329 176.300 0.231 0.000 0.989 3 R CA -0.044 56.148 56.100 0.153 0.000 0.842 3 R CB 0.934 31.291 30.300 0.094 0.000 1.119 3 R HN 0.576 nan 8.270 nan 0.000 0.456 4 F N 2.542 122.553 119.950 0.103 0.000 2.385 4 F HA 0.564 5.080 4.527 -0.018 0.000 0.360 4 F C -0.448 175.440 175.800 0.148 0.000 1.122 4 F CA -1.175 56.905 58.000 0.133 0.000 1.090 4 F CB 0.996 40.077 39.000 0.135 0.000 1.150 4 F HN 0.601 nan 8.300 nan 0.000 0.472 5 A N 7.892 130.478 122.820 -0.389 0.000 2.540 5 A HA 0.512 4.821 4.320 -0.017 0.000 0.340 5 A C -1.220 176.034 177.584 -0.551 0.000 1.424 5 A CA -0.668 51.173 52.037 -0.326 0.000 0.940 5 A CB -0.085 18.876 19.000 -0.066 0.000 1.149 5 A HN 0.815 nan 8.150 nan 0.000 0.505 6 L N 3.825 124.648 121.223 -0.668 0.000 2.360 6 L HA 0.528 4.857 4.340 -0.017 0.000 0.276 6 L C -0.668 176.193 176.870 -0.015 0.000 1.121 6 L CA 0.460 55.111 54.840 -0.314 0.000 0.845 6 L CB 1.019 43.002 42.059 -0.127 0.000 1.143 6 L HN 0.339 nan 8.230 nan 0.000 0.452 7 V N 6.909 126.833 119.914 0.017 0.000 2.483 7 V HA 0.404 4.513 4.120 -0.017 0.000 0.297 7 V C -0.161 175.994 176.094 0.100 0.000 1.027 7 V CA -0.586 61.716 62.300 0.002 0.000 0.855 7 V CB 1.565 33.237 31.823 -0.250 0.000 0.995 7 V HN 0.599 nan 8.190 nan 0.000 0.424 8 L N 4.439 125.740 121.223 0.130 0.000 2.287 8 L HA 0.501 4.830 4.340 -0.017 0.000 0.287 8 L C -0.312 176.538 176.870 -0.033 0.000 1.022 8 L CA -0.716 54.217 54.840 0.156 0.000 0.814 8 L CB 1.141 43.330 42.059 0.217 0.000 1.217 8 L HN 0.728 nan 8.230 nan 0.000 0.420 9 H N 3.724 122.620 119.070 -0.289 0.000 2.741 9 H HA 0.530 5.076 4.556 -0.017 0.000 0.282 9 H C -0.424 174.798 175.328 -0.176 0.000 1.122 9 H CA -0.587 55.115 56.048 -0.578 0.000 1.293 9 H CB 0.889 29.855 29.762 -1.327 0.000 1.415 9 H HN 0.650 nan 8.280 nan 0.000 0.472 10 A N 4.977 127.610 122.820 -0.312 0.000 2.289 10 A HA 0.496 4.805 4.320 -0.017 0.000 0.298 10 A C -0.983 176.428 177.584 -0.287 0.000 1.208 10 A CA -0.294 51.611 52.037 -0.220 0.000 0.845 10 A CB -0.056 18.815 19.000 -0.215 0.000 1.125 10 A HN 0.950 nan 8.150 nan 0.000 0.517 11 H N 0.935 119.806 119.070 -0.332 0.000 3.123 11 H HA 0.644 5.190 4.556 -0.017 0.000 0.346 11 H C -1.972 173.294 175.328 -0.104 0.000 1.138 11 H CA -0.508 55.379 56.048 -0.269 0.000 1.273 11 H CB 0.762 30.243 29.762 -0.469 0.000 1.926 11 H HN 0.586 nan 8.280 nan 0.000 0.524 12 L N 5.880 126.639 121.223 -0.773 0.000 2.434 12 L HA 0.543 4.873 4.340 -0.017 0.000 0.260 12 L C -2.342 174.082 176.870 -0.744 0.000 0.983 12 L CA -2.074 52.358 54.840 -0.680 0.000 0.820 12 L CB 2.979 44.906 42.059 -0.219 0.000 1.361 12 L HN 0.544 nan 8.230 nan 0.000 0.410 13 P HA -0.047 nan 4.420 nan 0.000 0.274 13 P C -1.130 176.203 177.300 0.055 0.000 1.260 13 P CA -0.248 62.757 63.100 -0.158 0.000 0.793 13 P CB 0.509 32.078 31.700 -0.219 0.000 1.048 14 Y N 1.161 121.514 120.300 0.088 0.000 2.587 14 Y HA 0.170 4.709 4.550 -0.017 0.000 0.344 14 Y C 1.090 177.125 175.900 0.225 0.000 1.061 14 Y CA 0.216 58.404 58.100 0.147 0.000 1.370 14 Y CB -0.213 38.349 38.460 0.169 0.000 1.163 14 Y HN 0.109 nan 8.280 nan 0.000 0.527 15 V N 3.401 123.164 119.914 -0.252 0.000 3.604 15 V HA 0.308 4.418 4.120 -0.017 0.000 0.277 15 V C 0.882 176.834 176.094 -0.237 0.000 1.399 15 V CA -0.254 61.971 62.300 -0.125 0.000 1.034 15 V CB -0.380 31.425 31.823 -0.030 0.000 0.824 15 V HN 0.649 nan 8.190 nan 0.000 0.439 16 R N 1.593 121.771 120.500 -0.538 0.000 2.523 16 R HA 0.288 4.618 4.340 -0.017 0.000 0.281 16 R C 1.142 177.354 176.300 -0.147 0.000 0.969 16 R CA 1.100 57.000 56.100 -0.333 0.000 1.093 16 R CB 0.136 30.239 30.300 -0.328 0.000 0.917 16 R HN 1.209 nan 8.270 nan 0.000 0.408 17 A N 3.657 126.467 122.820 -0.016 0.000 2.979 17 A HA -0.203 4.107 4.320 -0.017 0.000 0.260 17 A C 0.376 177.887 177.584 -0.120 0.000 1.282 17 A CA 1.504 53.529 52.037 -0.020 0.000 0.971 17 A CB -1.962 17.039 19.000 0.002 0.000 1.124 17 A HN 0.980 nan 8.150 nan 0.000 0.826 18 H N -0.573 118.513 119.070 0.027 0.000 2.542 18 H HA 0.423 4.968 4.556 -0.018 0.000 0.283 18 H C 1.212 176.602 175.328 0.104 0.000 1.059 18 H CA 1.316 57.405 56.048 0.067 0.000 1.162 18 H CB 0.474 30.284 29.762 0.081 0.000 1.539 18 H HN 1.665 nan 8.280 nan 0.000 0.543 19 G N 0.232 109.125 108.800 0.155 0.000 2.392 19 G HA2 -0.135 3.815 3.960 -0.017 0.000 0.677 19 G HA3 -0.135 3.815 3.960 -0.017 0.000 0.677 19 G C 0.188 175.189 174.900 0.168 0.000 1.334 19 G CA -0.488 44.715 45.100 0.170 0.000 0.961 19 G HN -0.064 nan 8.290 nan 0.000 0.616 20 M N -1.350 118.367 119.600 0.196 0.000 2.556 20 M HA 0.371 4.841 4.480 -0.017 0.000 0.259 20 M C 0.721 177.199 176.300 0.296 0.000 1.175 20 M CA 1.025 56.459 55.300 0.222 0.000 1.202 20 M CB -0.349 32.394 32.600 0.239 0.000 1.298 20 M HN 0.645 nan 8.290 nan 0.000 0.492 21 W N 1.248 122.606 121.300 0.098 0.000 3.075 21 W HA 0.424 5.074 4.660 -0.018 0.000 0.334 21 W C -1.958 174.599 176.519 0.063 0.000 1.243 21 W CA -0.824 56.563 57.345 0.071 0.000 1.170 21 W CB 0.620 30.119 29.460 0.064 0.000 1.452 21 W HN -0.151 nan 8.180 nan 0.000 0.572 22 P HA -0.014 nan 4.420 nan 0.000 0.217 22 P C -0.256 176.471 177.300 -0.954 0.000 1.150 22 P CA 1.235 63.032 63.100 -2.173 0.000 0.832 22 P CB 0.047 30.477 31.700 -2.116 0.000 0.787 23 F N -0.981 118.643 119.950 -0.544 0.000 2.449 23 F HA 0.781 5.298 4.527 -0.017 0.000 0.342 23 F C 0.524 176.170 175.800 -0.257 0.000 1.127 23 F CA -1.030 56.738 58.000 -0.386 0.000 0.975 23 F CB 2.065 40.772 39.000 -0.488 0.000 1.146 23 F HN 0.072 nan 8.300 nan 0.000 0.444 24 G N 2.327 111.196 108.800 0.115 0.000 2.404 24 G HA2 0.038 3.987 3.960 -0.017 0.000 0.253 24 G HA3 0.038 3.987 3.960 -0.017 0.000 0.253 24 G C -0.169 174.728 174.900 -0.005 0.000 1.253 24 G CA -0.650 44.520 45.100 0.117 0.000 0.917 24 G HN 0.532 nan 8.290 nan 0.000 0.480 25 E N 0.259 120.422 120.200 -0.062 0.000 2.130 25 E HA -0.141 4.198 4.350 -0.017 0.000 0.196 25 E C 2.061 178.293 176.600 -0.613 0.000 0.998 25 E CA 1.562 57.752 56.400 -0.351 0.000 0.806 25 E CB -0.026 29.505 29.700 -0.283 0.000 0.738 25 E HN 0.596 nan 8.360 nan 0.000 0.459 26 E N -0.046 120.026 120.200 -0.214 0.000 2.209 26 E HA -0.177 4.163 4.350 -0.017 0.000 0.196 26 E C 2.089 178.583 176.600 -0.176 0.000 0.993 26 E CA 1.073 57.392 56.400 -0.136 0.000 0.819 26 E CB -0.152 29.698 29.700 0.250 0.000 0.745 26 E HN 0.127 nan 8.360 nan 0.000 0.477 27 T N 0.910 115.398 114.554 -0.110 0.000 2.788 27 T HA -0.144 4.196 4.350 -0.017 0.000 0.268 27 T C 1.737 176.318 174.700 -0.198 0.000 1.044 27 T CA 0.838 62.880 62.100 -0.097 0.000 1.139 27 T CB -0.079 68.781 68.868 -0.014 0.000 0.867 27 T HN 0.039 nan 8.240 nan 0.000 0.454 28 L N -0.101 120.960 121.223 -0.271 0.000 2.072 28 L HA 0.120 4.449 4.340 -0.017 0.000 0.205 28 L C 1.939 178.724 176.870 -0.142 0.000 1.079 28 L CA 1.664 56.372 54.840 -0.219 0.000 0.752 28 L CB -0.829 41.075 42.059 -0.257 0.000 0.906 28 L HN 0.460 nan 8.230 nan 0.000 0.436 29 Y N -0.161 120.044 120.300 -0.158 0.000 2.242 29 Y HA -0.203 4.336 4.550 -0.017 0.000 0.291 29 Y C 2.456 178.278 175.900 -0.129 0.000 1.137 29 Y CA 0.910 58.913 58.100 -0.161 0.000 1.181 29 Y CB -0.260 37.748 38.460 -0.754 0.000 0.989 29 Y HN 0.296 nan 8.280 nan 0.000 0.527 30 E N 0.621 120.752 120.200 -0.114 0.000 2.058 30 E HA -0.238 4.101 4.350 -0.017 0.000 0.194 30 E C 2.426 178.923 176.600 -0.172 0.000 0.997 30 E CA 1.113 57.505 56.400 -0.013 0.000 0.801 30 E CB -0.251 29.377 29.700 -0.121 0.000 0.746 30 E HN 0.477 nan 8.360 nan 0.000 0.450 31 A N 0.756 123.343 122.820 -0.389 0.000 1.930 31 A HA -0.160 4.150 4.320 -0.017 0.000 0.217 31 A C 2.141 179.325 177.584 -0.668 0.000 1.175 31 A CA 1.219 52.882 52.037 -0.623 0.000 0.627 31 A CB -0.417 18.195 19.000 -0.646 0.000 0.815 31 A HN 0.130 nan 8.150 nan 0.000 0.443 32 M N -0.405 119.031 119.600 -0.274 0.000 2.080 32 M HA -0.185 4.285 4.480 -0.017 0.000 0.260 32 M C 2.510 178.781 176.300 -0.047 0.000 1.068 32 M CA 1.688 56.916 55.300 -0.119 0.000 1.109 32 M CB -0.393 32.044 32.600 -0.271 0.000 1.342 32 M HN 0.475 nan 8.290 nan 0.000 0.405 33 A N -0.183 122.767 122.820 0.218 0.000 1.897 33 A HA -0.123 4.187 4.320 -0.017 0.000 0.215 33 A C 1.921 179.688 177.584 0.304 0.000 1.181 33 A CA 1.517 53.780 52.037 0.376 0.000 0.620 33 A CB -0.420 18.979 19.000 0.664 0.000 0.821 33 A HN 0.536 nan 8.150 nan 0.000 0.443 34 E N -1.865 118.464 120.200 0.215 0.000 2.364 34 E HA 0.030 4.369 4.350 -0.017 0.000 0.196 34 E C 1.358 178.039 176.600 0.135 0.000 0.990 34 E CA 0.987 57.532 56.400 0.243 0.000 0.886 34 E CB 0.354 30.199 29.700 0.241 0.000 0.866 34 E HN 0.554 nan 8.360 nan 0.000 0.493 35 T N -0.646 113.888 114.554 -0.033 0.000 3.151 35 T HA 0.060 4.400 4.350 -0.017 0.000 0.239 35 T C 1.593 176.370 174.700 0.127 0.000 0.979 35 T CA 0.090 62.181 62.100 -0.016 0.000 1.194 35 T CB -0.299 68.469 68.868 -0.167 0.000 0.982 35 T HN 0.149 nan 8.240 nan 0.000 0.428 36 Y N 1.486 121.894 120.300 0.180 0.000 2.184 36 Y HA 0.131 4.670 4.550 -0.019 0.000 0.290 36 Y C 2.386 178.399 175.900 0.188 0.000 1.129 36 Y CA 0.255 58.514 58.100 0.265 0.000 1.144 36 Y CB -0.394 38.229 38.460 0.272 0.000 0.995 36 Y HN 0.029 nan 8.280 nan 0.000 0.513 37 L N -0.070 121.295 121.223 0.236 0.000 2.017 37 L HA -0.143 4.187 4.340 -0.017 0.000 0.208 37 L C -0.663 176.325 176.870 0.197 0.000 1.073 37 L CA 1.213 56.169 54.840 0.192 0.000 0.745 37 L CB -1.699 40.461 42.059 0.168 0.000 0.894 37 L HN 0.156 nan 8.230 nan 0.000 0.432 38 P HA -0.173 nan 4.420 nan 0.000 0.217 38 P C 1.945 179.310 177.300 0.108 0.000 1.150 38 P CA 1.323 64.483 63.100 0.100 0.000 0.832 38 P CB 0.086 31.857 31.700 0.120 0.000 0.787 39 L N -1.450 119.887 121.223 0.190 0.000 2.083 39 L HA -0.157 4.173 4.340 -0.017 0.000 0.209 39 L C 2.318 179.328 176.870 0.234 0.000 1.083 39 L CA 1.312 56.298 54.840 0.243 0.000 0.752 39 L CB -0.636 41.658 42.059 0.392 0.000 0.899 39 L HN -0.049 nan 8.230 nan 0.000 0.433 40 I N -0.668 120.002 120.570 0.167 0.000 2.252 40 I HA -0.276 3.884 4.170 -0.017 0.000 0.245 40 I C 2.653 178.801 176.117 0.051 0.000 1.102 40 I CA 1.180 62.502 61.300 0.037 0.000 1.385 40 I CB -0.245 37.692 38.000 -0.105 0.000 1.064 40 I HN 0.181 nan 8.210 nan 0.000 0.414 41 R N 0.027 120.535 120.500 0.013 0.000 2.115 41 R HA -0.091 4.238 4.340 -0.017 0.000 0.230 41 R C 2.284 178.554 176.300 -0.050 0.000 1.111 41 R CA 1.034 57.063 56.100 -0.118 0.000 0.976 41 R CB -0.417 29.731 30.300 -0.253 0.000 0.870 41 R HN 0.232 nan 8.270 nan 0.000 0.445 42 V N 1.706 121.624 119.914 0.006 0.000 2.295 42 V HA -0.244 3.865 4.120 -0.017 0.000 0.246 42 V C 2.334 178.462 176.094 0.056 0.000 1.049 42 V CA 1.713 64.027 62.300 0.023 0.000 1.024 42 V CB -0.427 31.418 31.823 0.037 0.000 0.648 42 V HN 0.262 nan 8.190 nan 0.000 0.447 43 L N -0.367 120.917 121.223 0.101 0.000 2.042 43 L HA -0.220 4.110 4.340 -0.017 0.000 0.210 43 L C 2.571 179.465 176.870 0.040 0.000 1.076 43 L CA 1.746 56.646 54.840 0.100 0.000 0.749 43 L CB -0.655 41.475 42.059 0.119 0.000 0.893 43 L HN 0.395 nan 8.230 nan 0.000 0.432 44 E N -0.230 119.979 120.200 0.014 0.000 2.051 44 E HA -0.216 4.124 4.350 -0.017 0.000 0.192 44 E C 2.379 178.972 176.600 -0.012 0.000 0.991 44 E CA 1.047 57.443 56.400 -0.007 0.000 0.799 44 E CB -0.059 29.627 29.700 -0.024 0.000 0.748 44 E HN 0.391 nan 8.360 nan 0.000 0.449 45 R N 0.453 120.941 120.500 -0.019 0.000 2.073 45 R HA -0.085 4.245 4.340 -0.017 0.000 0.234 45 R C 2.528 178.825 176.300 -0.005 0.000 1.134 45 R CA 0.997 57.084 56.100 -0.021 0.000 0.952 45 R CB -0.342 29.938 30.300 -0.033 0.000 0.850 45 R HN 0.189 nan 8.270 nan 0.000 0.433 46 L N 0.078 121.309 121.223 0.012 0.000 2.083 46 L HA -0.182 4.148 4.340 -0.017 0.000 0.209 46 L C 2.788 179.669 176.870 0.018 0.000 1.083 46 L CA 1.325 56.179 54.840 0.023 0.000 0.752 46 L CB -0.459 41.632 42.059 0.054 0.000 0.899 46 L HN 0.225 nan 8.230 nan 0.000 0.433 47 R N 0.410 120.919 120.500 0.015 0.000 2.073 47 R HA -0.170 4.159 4.340 -0.017 0.000 0.234 47 R C 2.392 178.694 176.300 0.002 0.000 1.134 47 R CA 1.514 57.619 56.100 0.008 0.000 0.952 47 R CB -0.265 30.037 30.300 0.004 0.000 0.850 47 R HN 0.315 nan 8.270 nan 0.000 0.433 48 A N 0.811 123.629 122.820 -0.003 0.000 1.940 48 A HA -0.184 4.125 4.320 -0.017 0.000 0.219 48 A C 1.657 179.238 177.584 -0.005 0.000 1.176 48 A CA 1.759 53.792 52.037 -0.007 0.000 0.631 48 A CB -0.314 18.678 19.000 -0.014 0.000 0.814 48 A HN 0.541 nan 8.150 nan 0.000 0.446 49 E N -1.772 118.426 120.200 -0.003 0.000 2.474 49 E HA 0.291 4.630 4.350 -0.017 0.000 0.195 49 E C 0.987 177.588 176.600 0.002 0.000 1.039 49 E CA 0.198 56.596 56.400 -0.003 0.000 0.881 49 E CB 0.022 29.719 29.700 -0.005 0.000 0.970 49 E HN 0.713 nan 8.360 nan 0.000 0.486 50 G N 1.637 110.440 108.800 0.005 0.000 2.198 50 G HA2 -0.283 3.666 3.960 -0.017 0.000 0.260 50 G HA3 -0.283 3.666 3.960 -0.017 0.000 0.260 50 G C 0.297 175.205 174.900 0.013 0.000 1.025 50 G CA 0.184 45.289 45.100 0.008 0.000 0.769 50 G HN 0.172 nan 8.290 nan 0.000 0.507 51 V N 0.542 120.465 119.914 0.016 0.000 2.439 51 V HA 0.250 4.360 4.120 -0.017 0.000 0.271 51 V C 0.705 176.820 176.094 0.035 0.000 1.040 51 V CA 0.151 62.464 62.300 0.022 0.000 1.002 51 V CB 1.195 33.030 31.823 0.020 0.000 1.000 51 V HN 0.433 nan 8.190 nan 0.000 0.477 52 E N 4.225 124.447 120.200 0.037 0.000 1.993 52 E HA 0.597 4.936 4.350 -0.017 0.000 0.271 52 E C -0.002 176.638 176.600 0.067 0.000 1.008 52 E CA -0.174 56.254 56.400 0.046 0.000 0.814 52 E CB 1.167 30.889 29.700 0.037 0.000 1.098 52 E HN 0.774 nan 8.360 nan 0.000 0.407 53 A N 4.995 127.871 122.820 0.094 0.000 3.422 53 A HA 0.292 4.601 4.320 -0.017 0.000 0.271 53 A C -2.592 175.116 177.584 0.207 0.000 1.104 53 A CA -1.087 51.033 52.037 0.138 0.000 0.899 53 A CB 0.281 19.353 19.000 0.121 0.000 1.309 53 A HN 0.303 nan 8.150 nan 0.000 0.580 54 P HA 0.645 nan 4.420 nan 0.000 0.274 54 P C -0.574 176.868 177.300 0.236 0.000 1.237 54 P CA 0.042 63.215 63.100 0.122 0.000 0.793 54 P CB 0.705 32.427 31.700 0.036 0.000 0.977 55 F N -2.413 117.555 119.950 0.030 0.000 2.869 55 F HA 0.725 5.240 4.527 -0.020 0.000 0.325 55 F C -1.102 174.704 175.800 0.010 0.000 1.184 55 F CA -0.986 57.019 58.000 0.009 0.000 0.951 55 F CB 0.688 39.692 39.000 0.007 0.000 1.421 55 F HN 0.062 nan 8.300 nan 0.000 0.501 56 T N 2.372 117.011 114.554 0.141 0.000 2.807 56 T HA 0.627 4.966 4.350 -0.017 0.000 0.279 56 T C -1.661 173.093 174.700 0.090 0.000 0.993 56 T CA -0.348 61.771 62.100 0.031 0.000 0.970 56 T CB 1.529 70.448 68.868 0.086 0.000 0.950 56 T HN 0.718 nan 8.240 nan 0.000 0.441 57 L N 3.093 124.293 121.223 -0.038 0.000 2.349 57 L HA 0.781 5.111 4.340 -0.017 0.000 0.278 57 L C 0.111 176.938 176.870 -0.073 0.000 0.996 57 L CA -0.137 54.679 54.840 -0.039 0.000 0.825 57 L CB 1.257 43.234 42.059 -0.137 0.000 1.243 57 L HN 0.744 nan 8.230 nan 0.000 0.412 58 G N 5.843 114.601 108.800 -0.070 0.000 2.338 58 G HA2 0.591 4.541 3.960 -0.017 0.000 0.298 58 G HA3 0.591 4.541 3.960 -0.017 0.000 0.298 58 G C -0.755 174.079 174.900 -0.110 0.000 1.140 58 G CA -0.412 44.664 45.100 -0.040 0.000 0.860 58 G HN 0.611 nan 8.290 nan 0.000 0.470 59 I N 2.429 122.971 120.570 -0.047 0.000 2.411 59 I HA 0.202 4.361 4.170 -0.017 0.000 0.284 59 I C 0.781 176.938 176.117 0.067 0.000 1.012 59 I CA -0.762 60.492 61.300 -0.077 0.000 1.119 59 I CB 1.837 39.766 38.000 -0.117 0.000 1.261 59 I HN 0.580 nan 8.210 nan 0.000 0.448 60 T N 2.825 117.431 114.554 0.086 0.000 2.932 60 T HA 0.137 4.477 4.350 -0.017 0.000 0.312 60 T C -1.847 172.971 174.700 0.198 0.000 1.071 60 T CA -1.136 61.068 62.100 0.173 0.000 1.128 60 T CB 0.824 69.869 68.868 0.296 0.000 0.984 60 T HN 0.285 nan 8.240 nan 0.000 0.549 61 P HA -0.084 nan 4.420 nan 0.000 0.216 61 P C 1.529 179.008 177.300 0.298 0.000 1.153 61 P CA 0.376 63.650 63.100 0.291 0.000 0.858 61 P CB -0.050 31.845 31.700 0.326 0.000 0.789 62 I N -1.228 119.529 120.570 0.312 0.000 2.394 62 I HA -0.148 4.012 4.170 -0.017 0.000 0.251 62 I C 1.898 178.100 176.117 0.143 0.000 1.136 62 I CA 1.060 62.487 61.300 0.211 0.000 1.425 62 I CB -1.000 37.173 38.000 0.289 0.000 1.079 62 I HN -0.190 nan 8.210 nan 0.000 0.425 63 L N 0.995 122.299 121.223 0.135 0.000 2.017 63 L HA -0.063 4.266 4.340 -0.017 0.000 0.208 63 L C 2.501 179.386 176.870 0.025 0.000 1.073 63 L CA 2.319 57.182 54.840 0.039 0.000 0.745 63 L CB -1.291 40.753 42.059 -0.024 0.000 0.894 63 L HN 0.235 nan 8.230 nan 0.000 0.432 64 A N -0.877 121.976 122.820 0.055 0.000 1.908 64 A HA -0.190 4.119 4.320 -0.017 0.000 0.218 64 A C 2.144 179.735 177.584 0.010 0.000 1.181 64 A CA 1.675 53.720 52.037 0.014 0.000 0.627 64 A CB -0.628 18.440 19.000 0.113 0.000 0.818 64 A HN 0.557 nan 8.150 nan 0.000 0.445 65 E N 0.024 120.288 120.200 0.106 0.000 2.118 65 E HA -0.226 4.114 4.350 -0.017 0.000 0.195 65 E C 2.191 178.817 176.600 0.043 0.000 0.992 65 E CA 1.563 57.996 56.400 0.054 0.000 0.804 65 E CB -0.363 29.256 29.700 -0.135 0.000 0.741 65 E HN 0.814 nan 8.360 nan 0.000 0.458 66 Q N 0.070 119.908 119.800 0.063 0.000 2.083 66 Q HA -0.013 4.317 4.340 -0.017 0.000 0.198 66 Q C 2.516 178.557 176.000 0.068 0.000 0.969 66 Q CA 0.703 56.554 55.803 0.080 0.000 0.838 66 Q CB -0.082 28.695 28.738 0.064 0.000 0.900 66 Q HN 0.245 nan 8.270 nan 0.000 0.436 67 L N 0.203 121.449 121.223 0.037 0.000 2.127 67 L HA -0.154 4.175 4.340 -0.017 0.000 0.211 67 L C 2.159 179.038 176.870 0.015 0.000 1.089 67 L CA 0.919 55.783 54.840 0.041 0.000 0.757 67 L CB -0.417 41.647 42.059 0.008 0.000 0.899 67 L HN 0.188 nan 8.230 nan 0.000 0.434 68 A N -1.209 121.582 122.820 -0.047 0.000 2.251 68 A HA -0.043 4.266 4.320 -0.017 0.000 0.209 68 A C 0.483 178.072 177.584 0.007 0.000 1.187 68 A CA -0.020 51.975 52.037 -0.070 0.000 0.823 68 A CB -0.495 18.390 19.000 -0.192 0.000 0.846 68 A HN 0.347 nan 8.150 nan 0.000 0.486 69 D N -1.496 118.936 120.400 0.054 0.000 2.210 69 D HA 0.569 5.198 4.640 -0.017 0.000 0.249 69 D C 1.210 177.571 176.300 0.101 0.000 1.062 69 D CA 0.344 54.392 54.000 0.081 0.000 0.891 69 D CB 1.359 42.223 40.800 0.105 0.000 1.186 69 D HN 0.024 nan 8.370 nan 0.000 0.432 70 A N 4.121 126.994 122.820 0.088 0.000 1.898 70 A HA -0.152 4.158 4.320 -0.017 0.000 0.216 70 A C 2.090 179.747 177.584 0.121 0.000 1.181 70 A CA 1.315 53.406 52.037 0.089 0.000 0.620 70 A CB -0.476 18.561 19.000 0.062 0.000 0.819 70 A HN 0.726 nan 8.150 nan 0.000 0.442 71 R N -0.419 120.157 120.500 0.125 0.000 2.081 71 R HA -0.121 4.208 4.340 -0.017 0.000 0.235 71 R C 1.784 178.210 176.300 0.210 0.000 1.131 71 R CA 1.725 57.913 56.100 0.147 0.000 0.960 71 R CB -0.300 30.080 30.300 0.134 0.000 0.856 71 R HN 0.417 nan 8.270 nan 0.000 0.436 72 I N 1.698 122.408 120.570 0.232 0.000 2.286 72 I HA -0.254 3.906 4.170 -0.017 0.000 0.248 72 I C 2.399 178.738 176.117 0.370 0.000 1.115 72 I CA 1.409 62.918 61.300 0.349 0.000 1.392 72 I CB -1.118 37.044 38.000 0.270 0.000 1.065 72 I HN 0.298 nan 8.210 nan 0.000 0.418 73 K N 0.890 121.474 120.400 0.307 0.000 2.026 73 K HA -0.198 4.112 4.320 -0.017 0.000 0.208 73 K C 1.899 178.738 176.600 0.399 0.000 1.048 73 K CA 1.364 57.901 56.287 0.418 0.000 0.929 73 K CB 0.118 32.789 32.500 0.284 0.000 0.713 73 K HN 0.118 nan 8.250 nan 0.000 0.439 74 E N -0.013 120.338 120.200 0.251 0.000 2.106 74 E HA -0.095 4.244 4.350 -0.017 0.000 0.192 74 E C 2.039 178.738 176.600 0.165 0.000 0.984 74 E CA 1.246 57.766 56.400 0.200 0.000 0.806 74 E CB -0.451 29.321 29.700 0.120 0.000 0.750 74 E HN 0.568 nan 8.360 nan 0.000 0.458 75 G N 0.293 109.160 108.800 0.111 0.000 2.408 75 G HA2 -0.257 3.693 3.960 -0.017 0.000 0.217 75 G HA3 -0.257 3.693 3.960 -0.017 0.000 0.217 75 G C 1.508 175.992 174.900 -0.693 0.000 1.150 75 G CA 0.480 45.521 45.100 -0.098 0.000 0.776 75 G HN 0.266 nan 8.290 nan 0.000 0.542 76 F N -0.005 119.501 119.950 -0.741 0.000 2.113 76 F HA 0.018 4.533 4.527 -0.019 0.000 0.297 76 F C 2.292 177.816 175.800 -0.460 0.000 1.103 76 F CA 1.400 58.910 58.000 -0.816 0.000 1.248 76 F CB -0.303 38.391 39.000 -0.509 0.000 0.999 76 F HN 0.259 nan 8.300 nan 0.000 0.475 77 W N 1.106 122.155 121.300 -0.420 0.000 2.335 77 W HA -0.193 4.455 4.660 -0.020 0.000 0.311 77 W C 2.389 178.698 176.519 -0.350 0.000 1.213 77 W CA 2.831 59.981 57.345 -0.325 0.000 1.274 77 W CB -0.751 28.735 29.460 0.043 0.000 1.148 77 W HN 0.083 nan 8.180 nan 0.000 0.498 78 A N -0.713 122.101 122.820 -0.009 0.000 1.908 78 A HA -0.277 4.033 4.320 -0.017 0.000 0.218 78 A C 1.859 179.191 177.584 -0.419 0.000 1.181 78 A CA 1.781 53.723 52.037 -0.159 0.000 0.627 78 A CB -1.628 17.393 19.000 0.036 0.000 0.818 78 A HN 0.622 nan 8.150 nan 0.000 0.445 79 Y N 0.482 120.407 120.300 -0.624 0.000 2.181 79 Y HA -0.078 4.461 4.550 -0.018 0.000 0.288 79 Y C 2.601 178.017 175.900 -0.807 0.000 1.146 79 Y CA 1.474 59.194 58.100 -0.633 0.000 1.164 79 Y CB -0.397 37.668 38.460 -0.658 0.000 0.982 79 Y HN 0.300 nan 8.280 nan 0.000 0.515 80 A N 0.385 122.684 122.820 -0.869 0.000 1.930 80 A HA -0.159 4.151 4.320 -0.017 0.000 0.217 80 A C 2.282 179.378 177.584 -0.813 0.000 1.175 80 A CA 1.667 53.191 52.037 -0.854 0.000 0.627 80 A CB -0.723 17.836 19.000 -0.735 0.000 0.815 80 A HN 0.533 nan 8.150 nan 0.000 0.443 81 K N -0.073 119.790 120.400 -0.895 0.000 2.026 81 K HA -0.252 4.058 4.320 -0.017 0.000 0.208 81 K C 1.773 177.996 176.600 -0.628 0.000 1.048 81 K CA 2.013 57.821 56.287 -0.799 0.000 0.929 81 K CB -0.317 31.545 32.500 -1.064 0.000 0.713 81 K HN 0.463 nan 8.250 nan 0.000 0.439 82 D N -0.158 119.856 120.400 -0.644 0.000 2.117 82 D HA -0.158 4.471 4.640 -0.017 0.000 0.197 82 D C 1.965 177.854 176.300 -0.686 0.000 0.987 82 D CA 0.982 54.644 54.000 -0.563 0.000 0.829 82 D CB 0.205 40.703 40.800 -0.505 0.000 0.961 82 D HN 0.070 nan 8.370 nan 0.000 0.460 83 R N -0.025 119.854 120.500 -1.034 0.000 2.096 83 R HA -0.076 4.254 4.340 -0.017 0.000 0.235 83 R C 2.284 177.985 176.300 -0.999 0.000 1.127 83 R CA 0.470 55.785 56.100 -1.307 0.000 0.968 83 R CB -1.253 27.569 30.300 -2.464 0.000 0.861 83 R HN 0.344 nan 8.270 nan 0.000 0.440 84 L N 1.719 122.512 121.223 -0.716 0.000 2.012 84 L HA -0.154 4.175 4.340 -0.017 0.000 0.210 84 L C 1.770 178.500 176.870 -0.235 0.000 1.073 84 L CA 1.865 56.537 54.840 -0.280 0.000 0.748 84 L CB -0.449 41.510 42.059 -0.168 0.000 0.891 84 L HN 0.152 nan 8.230 nan 0.000 0.431 85 E N -0.782 119.244 120.200 -0.290 0.000 2.077 85 E HA -0.216 4.124 4.350 -0.017 0.000 0.193 85 E C 2.269 178.757 176.600 -0.186 0.000 0.989 85 E CA 1.231 57.506 56.400 -0.209 0.000 0.800 85 E CB -0.147 29.420 29.700 -0.221 0.000 0.746 85 E HN 0.485 nan 8.360 nan 0.000 0.452 86 R N 0.444 120.790 120.500 -0.256 0.000 2.081 86 R HA -0.104 4.226 4.340 -0.017 0.000 0.235 86 R C 2.396 178.637 176.300 -0.099 0.000 1.131 86 R CA 1.168 57.148 56.100 -0.199 0.000 0.960 86 R CB -0.333 29.802 30.300 -0.275 0.000 0.856 86 R HN 0.118 nan 8.270 nan 0.000 0.436 87 A N 1.211 123.981 122.820 -0.084 0.000 1.902 87 A HA -0.212 4.097 4.320 -0.017 0.000 0.217 87 A C 2.074 179.709 177.584 0.085 0.000 1.181 87 A CA 1.209 53.287 52.037 0.068 0.000 0.623 87 A CB -0.380 18.717 19.000 0.161 0.000 0.818 87 A HN 0.326 nan 8.150 nan 0.000 0.443 88 Q N -0.757 119.057 119.800 0.024 0.000 2.084 88 Q HA -0.117 4.212 4.340 -0.017 0.000 0.202 88 Q C 2.193 178.226 176.000 0.055 0.000 0.978 88 Q CA 1.293 57.124 55.803 0.048 0.000 0.844 88 Q CB -0.451 28.282 28.738 -0.007 0.000 0.898 88 Q HN 0.688 nan 8.270 nan 0.000 0.426 89 G N 0.799 109.591 108.800 -0.014 0.000 2.408 89 G HA2 -0.253 3.697 3.960 -0.017 0.000 0.217 89 G HA3 -0.253 3.697 3.960 -0.017 0.000 0.217 89 G C 0.772 175.617 174.900 -0.091 0.000 1.150 89 G CA 1.032 46.099 45.100 -0.055 0.000 0.776 89 G HN 0.232 nan 8.290 nan 0.000 0.542 90 D N -0.891 119.482 120.400 -0.045 0.000 2.144 90 D HA -0.082 4.548 4.640 -0.017 0.000 0.200 90 D C 1.864 178.124 176.300 -0.066 0.000 0.978 90 D CA 0.466 54.400 54.000 -0.109 0.000 0.833 90 D CB -0.277 40.621 40.800 0.163 0.000 0.961 90 D HN 0.372 nan 8.370 nan 0.000 0.470 91 Y N 1.471 121.752 120.300 -0.033 0.000 2.181 91 Y HA -0.205 4.337 4.550 -0.014 0.000 0.288 91 Y C 2.338 178.210 175.900 -0.048 0.000 1.146 91 Y CA 1.758 59.855 58.100 -0.006 0.000 1.164 91 Y CB -0.215 38.256 38.460 0.019 0.000 0.982 91 Y HN -0.050 nan 8.280 nan 0.000 0.515 92 Q N 0.271 120.024 119.800 -0.078 0.000 2.061 92 Q HA -0.248 4.082 4.340 -0.017 0.000 0.204 92 Q C 2.233 178.087 176.000 -0.242 0.000 0.984 92 Q CA 2.122 57.832 55.803 -0.155 0.000 0.846 92 Q CB -0.152 28.543 28.738 -0.072 0.000 0.902 92 Q HN 0.494 nan 8.270 nan 0.000 0.421 93 R N -1.133 119.179 120.500 -0.313 0.000 2.090 93 R HA -0.091 4.239 4.340 -0.017 0.000 0.228 93 R C 1.577 177.682 176.300 -0.325 0.000 1.110 93 R CA 1.374 57.231 56.100 -0.405 0.000 0.973 93 R CB -0.005 29.881 30.300 -0.690 0.000 0.869 93 R HN 0.452 nan 8.270 nan 0.000 0.440 94 Y N -0.038 120.139 120.300 -0.205 0.000 2.458 94 Y HA 0.180 4.719 4.550 -0.018 0.000 0.256 94 Y C 0.809 176.552 175.900 -0.262 0.000 1.159 94 Y CA -0.821 57.150 58.100 -0.215 0.000 1.261 94 Y CB 0.405 38.715 38.460 -0.249 0.000 1.119 94 Y HN -0.103 nan 8.280 nan 0.000 0.524 95 R N 1.011 121.336 120.500 -0.292 0.000 2.583 95 R HA 0.081 4.411 4.340 -0.017 0.000 0.274 95 R C 1.157 177.363 176.300 -0.156 0.000 0.998 95 R CA 1.384 57.267 56.100 -0.361 0.000 1.081 95 R CB -0.010 29.940 30.300 -0.583 0.000 0.940 95 R HN 0.553 nan 8.270 nan 0.000 0.413 96 G N 2.332 111.073 108.800 -0.098 0.000 2.159 96 G HA2 -0.302 3.647 3.960 -0.017 0.000 0.256 96 G HA3 -0.302 3.647 3.960 -0.017 0.000 0.256 96 G C 0.047 174.928 174.900 -0.032 0.000 0.977 96 G CA 0.618 45.687 45.100 -0.052 0.000 0.652 96 G HN 0.893 nan 8.290 nan 0.000 0.531 97 T N -4.102 110.433 114.554 -0.031 0.000 2.910 97 T HA 0.811 5.150 4.350 -0.017 0.000 0.287 97 T C 1.474 176.139 174.700 -0.058 0.000 1.050 97 T CA 0.425 62.508 62.100 -0.028 0.000 1.011 97 T CB 1.609 70.476 68.868 -0.002 0.000 1.195 97 T HN 1.392 nan 8.240 nan 0.000 0.540 98 A N 0.107 122.885 122.820 -0.071 0.000 2.125 98 A HA 0.184 4.494 4.320 -0.017 0.000 0.219 98 A C 1.965 179.456 177.584 -0.155 0.000 1.156 98 A CA 0.902 52.888 52.037 -0.085 0.000 0.671 98 A CB -1.010 17.955 19.000 -0.059 0.000 0.794 98 A HN 0.770 nan 8.150 nan 0.000 0.459 99 L N -0.949 120.120 121.223 -0.257 0.000 2.611 99 L HA 0.066 4.395 4.340 -0.017 0.000 0.229 99 L C 2.038 178.773 176.870 -0.223 0.000 1.137 99 L CA 0.416 55.007 54.840 -0.415 0.000 0.901 99 L CB -0.215 41.266 42.059 -0.963 0.000 1.098 99 L HN 0.559 nan 8.230 nan 0.000 0.456 100 E N 1.499 121.646 120.200 -0.089 0.000 2.051 100 E HA -0.245 4.094 4.350 -0.017 0.000 0.192 100 E C 2.251 178.913 176.600 0.103 0.000 0.991 100 E CA 1.435 57.846 56.400 0.018 0.000 0.799 100 E CB 0.136 29.840 29.700 0.008 0.000 0.748 100 E HN 0.476 nan 8.360 nan 0.000 0.449 101 A N 0.538 123.386 122.820 0.046 0.000 1.902 101 A HA -0.192 4.117 4.320 -0.017 0.000 0.217 101 A C 2.348 180.001 177.584 0.114 0.000 1.181 101 A CA 1.890 53.967 52.037 0.067 0.000 0.623 101 A CB -0.913 18.084 19.000 -0.005 0.000 0.818 101 A HN 0.355 nan 8.150 nan 0.000 0.443 102 S N -0.374 115.377 115.700 0.085 0.000 2.359 102 S HA -0.092 4.367 4.470 -0.017 0.000 0.224 102 S C 2.197 176.998 174.600 0.334 0.000 1.035 102 S CA 1.768 60.108 58.200 0.234 0.000 1.018 102 S CB -0.519 62.819 63.200 0.229 0.000 0.876 102 S HN 0.848 nan 8.310 nan 0.000 0.448 103 A N 1.753 124.713 122.820 0.233 0.000 1.902 103 A HA -0.081 4.228 4.320 -0.017 0.000 0.217 103 A C 2.220 179.998 177.584 0.322 0.000 1.181 103 A CA 1.711 53.943 52.037 0.325 0.000 0.623 103 A CB -0.801 18.363 19.000 0.273 0.000 0.818 103 A HN 0.645 nan 8.150 nan 0.000 0.443 104 R N -1.255 119.426 120.500 0.301 0.000 2.091 104 R HA -0.246 4.084 4.340 -0.017 0.000 0.238 104 R C 2.169 178.538 176.300 0.115 0.000 1.136 104 R CA 2.123 58.283 56.100 0.099 0.000 0.959 104 R CB -0.519 29.847 30.300 0.111 0.000 0.856 104 R HN 0.757 nan 8.270 nan 0.000 0.437 105 H N 0.165 119.303 119.070 0.114 0.000 2.353 105 H HA -0.072 4.473 4.556 -0.018 0.000 0.300 105 H C 2.059 177.487 175.328 0.166 0.000 1.090 105 H CA 2.007 58.135 56.048 0.132 0.000 1.327 105 H CB 0.135 30.008 29.762 0.185 0.000 1.383 105 H HN 0.248 nan 8.280 nan 0.000 0.508 106 Q N -0.036 119.916 119.800 0.253 0.000 2.084 106 Q HA -0.116 4.214 4.340 -0.017 0.000 0.202 106 Q C 2.632 178.792 176.000 0.267 0.000 0.978 106 Q CA 1.479 57.427 55.803 0.241 0.000 0.844 106 Q CB -0.306 28.614 28.738 0.303 0.000 0.898 106 Q HN 0.424 nan 8.270 nan 0.000 0.426 107 V N 1.352 121.370 119.914 0.173 0.000 2.255 107 V HA -0.302 3.808 4.120 -0.017 0.000 0.247 107 V C 2.452 178.573 176.094 0.045 0.000 1.051 107 V CA 1.987 64.348 62.300 0.101 0.000 1.018 107 V CB -1.152 30.652 31.823 -0.033 0.000 0.641 107 V HN 0.361 nan 8.190 nan 0.000 0.445 108 A N -0.604 122.198 122.820 -0.030 0.000 1.908 108 A HA -0.260 4.049 4.320 -0.017 0.000 0.218 108 A C 2.123 179.633 177.584 -0.122 0.000 1.181 108 A CA 2.132 54.116 52.037 -0.088 0.000 0.627 108 A CB -0.755 18.173 19.000 -0.120 0.000 0.818 108 A HN 0.552 nan 8.150 nan 0.000 0.445 109 F N -0.949 118.812 119.950 -0.315 0.000 2.095 109 F HA -0.187 4.330 4.527 -0.017 0.000 0.298 109 F C 1.930 177.479 175.800 -0.419 0.000 1.104 109 F CA 1.850 59.595 58.000 -0.426 0.000 1.232 109 F CB -0.398 38.273 39.000 -0.549 0.000 0.987 109 F HN 0.389 nan 8.300 nan 0.000 0.475 110 W N 0.883 122.168 121.300 -0.026 0.000 2.476 110 W HA -0.014 4.637 4.660 -0.015 0.000 0.281 110 W C 2.347 178.757 176.519 -0.183 0.000 1.230 110 W CA 1.024 58.289 57.345 -0.133 0.000 1.287 110 W CB -0.432 28.992 29.460 -0.061 0.000 1.108 110 W HN 0.029 nan 8.180 nan 0.000 0.567 111 E N 0.299 120.511 120.200 0.021 0.000 2.058 111 E HA -0.263 4.077 4.350 -0.017 0.000 0.194 111 E C 2.034 178.595 176.600 -0.066 0.000 0.997 111 E CA 1.560 57.947 56.400 -0.022 0.000 0.801 111 E CB -0.614 29.064 29.700 -0.036 0.000 0.746 111 E HN 0.133 nan 8.360 nan 0.000 0.450 112 L N 1.074 122.202 121.223 -0.159 0.000 2.046 112 L HA -0.169 4.161 4.340 -0.017 0.000 0.208 112 L C 2.178 178.955 176.870 -0.154 0.000 1.077 112 L CA 1.978 56.711 54.840 -0.178 0.000 0.747 112 L CB -0.782 41.115 42.059 -0.270 0.000 0.896 112 L HN 0.040 nan 8.230 nan 0.000 0.432 113 T N -0.007 114.360 114.554 -0.310 0.000 2.684 113 T HA -0.188 4.151 4.350 -0.017 0.000 0.267 113 T C 1.969 176.745 174.700 0.127 0.000 1.036 113 T CA 1.995 63.991 62.100 -0.173 0.000 1.148 113 T CB -0.391 68.228 68.868 -0.414 0.000 0.863 113 T HN 0.314 nan 8.240 nan 0.000 0.436 114 L N 0.718 122.002 121.223 0.102 0.000 2.046 114 L HA -0.121 4.209 4.340 -0.017 0.000 0.208 114 L C 2.576 179.587 176.870 0.235 0.000 1.077 114 L CA 1.523 56.465 54.840 0.168 0.000 0.747 114 L CB -0.485 41.604 42.059 0.049 0.000 0.896 114 L HN 0.248 nan 8.230 nan 0.000 0.432 115 D N -0.955 119.533 120.400 0.145 0.000 2.097 115 D HA -0.265 4.364 4.640 -0.017 0.000 0.195 115 D C 2.154 178.563 176.300 0.182 0.000 0.989 115 D CA 1.406 55.488 54.000 0.136 0.000 0.827 115 D CB -0.046 40.795 40.800 0.069 0.000 0.966 115 D HN 0.338 nan 8.370 nan 0.000 0.456 116 H N -1.443 117.665 119.070 0.063 0.000 2.321 116 H HA -0.170 4.378 4.556 -0.013 0.000 0.300 116 H C 2.025 177.425 175.328 0.120 0.000 1.087 116 H CA 1.319 57.398 56.048 0.052 0.000 1.319 116 H CB -0.307 29.458 29.762 0.004 0.000 1.379 116 H HN 0.240 nan 8.280 nan 0.000 0.501 117 F N 1.856 121.799 119.950 -0.011 0.000 2.126 117 F HA -0.246 4.270 4.527 -0.019 0.000 0.299 117 F C 2.570 178.383 175.800 0.022 0.000 1.096 117 F CA 1.494 59.482 58.000 -0.020 0.000 1.255 117 F CB -0.241 38.906 39.000 0.244 0.000 0.997 117 F HN 0.200 nan 8.300 nan 0.000 0.479 118 Q N 0.329 120.224 119.800 0.159 0.000 2.079 118 Q HA -0.151 4.178 4.340 -0.017 0.000 0.200 118 Q C 2.381 178.340 176.000 -0.068 0.000 0.974 118 Q CA 1.505 57.323 55.803 0.025 0.000 0.840 118 Q CB -0.586 28.239 28.738 0.146 0.000 0.898 118 Q HN 0.479 nan 8.270 nan 0.000 0.430 119 R N 0.338 120.827 120.500 -0.018 0.000 2.159 119 R HA -0.031 4.298 4.340 -0.017 0.000 0.237 119 R C 2.045 178.285 176.300 -0.100 0.000 1.131 119 R CA 0.637 56.721 56.100 -0.028 0.000 0.982 119 R CB -0.201 30.125 30.300 0.043 0.000 0.868 119 R HN 0.217 nan 8.270 nan 0.000 0.453 120 L N 0.217 121.314 121.223 -0.209 0.000 2.599 120 L HA 0.055 4.385 4.340 -0.017 0.000 0.230 120 L C 0.875 177.572 176.870 -0.289 0.000 1.141 120 L CA -0.002 54.675 54.840 -0.272 0.000 0.877 120 L CB 0.017 41.830 42.059 -0.409 0.000 1.009 120 L HN 0.137 nan 8.230 nan 0.000 0.447 121 S N 0.701 116.235 115.700 -0.275 0.000 3.533 121 S HA -0.228 4.231 4.470 -0.017 0.000 0.347 121 S C 1.260 175.611 174.600 -0.415 0.000 1.101 121 S CA 0.695 58.732 58.200 -0.271 0.000 1.009 121 S CB -1.301 61.795 63.200 -0.173 0.000 0.916 121 S HN 0.928 nan 8.310 nan 0.000 0.496 122 G N 0.690 109.017 108.800 -0.789 0.000 2.203 122 G HA2 -0.292 3.658 3.960 -0.017 0.000 0.263 122 G HA3 -0.292 3.658 3.960 -0.017 0.000 0.263 122 G C -0.282 174.286 174.900 -0.555 0.000 1.012 122 G CA 0.586 44.908 45.100 -1.298 0.000 0.749 122 G HN 0.805 nan 8.290 nan 0.000 0.512 123 D N -0.176 119.999 120.400 -0.376 0.000 2.460 123 D HA 0.476 5.106 4.640 -0.017 0.000 0.268 123 D C 1.593 177.787 176.300 -0.178 0.000 1.153 123 D CA -0.719 53.161 54.000 -0.201 0.000 0.929 123 D CB 0.383 41.086 40.800 -0.162 0.000 1.015 123 D HN -0.015 nan 8.370 nan 0.000 0.502 124 L N 2.411 123.558 121.223 -0.126 0.000 2.093 124 L HA -0.091 4.238 4.340 -0.017 0.000 0.208 124 L C 2.498 179.334 176.870 -0.057 0.000 1.085 124 L CA 0.923 55.676 54.840 -0.144 0.000 0.755 124 L CB -0.413 41.632 42.059 -0.023 0.000 0.904 124 L HN 0.284 nan 8.230 nan 0.000 0.435 125 V N -0.297 119.630 119.914 0.023 0.000 2.343 125 V HA -0.318 3.791 4.120 -0.017 0.000 0.247 125 V C 2.692 178.870 176.094 0.139 0.000 1.051 125 V CA 1.697 64.064 62.300 0.110 0.000 1.036 125 V CB -1.128 30.590 31.823 -0.175 0.000 0.654 125 V HN 0.502 nan 8.190 nan 0.000 0.451 126 A N -0.073 122.750 122.820 0.005 0.000 1.933 126 A HA -0.114 4.196 4.320 -0.017 0.000 0.218 126 A C 2.422 179.997 177.584 -0.015 0.000 1.175 126 A CA 2.049 54.090 52.037 0.008 0.000 0.628 126 A CB -0.736 18.236 19.000 -0.047 0.000 0.814 126 A HN 0.577 nan 8.150 nan 0.000 0.444 127 A N -1.108 121.641 122.820 -0.118 0.000 1.933 127 A HA -0.014 4.295 4.320 -0.017 0.000 0.218 127 A C 2.002 179.479 177.584 -0.178 0.000 1.175 127 A CA 1.396 53.313 52.037 -0.201 0.000 0.628 127 A CB -0.758 18.031 19.000 -0.351 0.000 0.814 127 A HN 0.520 nan 8.150 nan 0.000 0.444 128 F N -0.684 119.263 119.950 -0.004 0.000 2.186 128 F HA -0.085 4.433 4.527 -0.015 0.000 0.299 128 F C 2.517 178.235 175.800 -0.136 0.000 1.090 128 F CA 1.343 59.306 58.000 -0.061 0.000 1.307 128 F CB -0.122 38.845 39.000 -0.055 0.000 1.019 128 F HN 0.145 nan 8.300 nan 0.000 0.489 129 R N 1.127 121.713 120.500 0.144 0.000 2.091 129 R HA -0.177 4.153 4.340 -0.017 0.000 0.238 129 R C 2.100 178.401 176.300 0.001 0.000 1.136 129 R CA 1.549 57.682 56.100 0.056 0.000 0.959 129 R CB -0.148 30.304 30.300 0.253 0.000 0.856 129 R HN 0.213 nan 8.270 nan 0.000 0.437 130 K N -0.189 120.218 120.400 0.010 0.000 2.032 130 K HA -0.134 4.175 4.320 -0.017 0.000 0.209 130 K C 2.109 178.697 176.600 -0.020 0.000 1.048 130 K CA 1.511 57.793 56.287 -0.009 0.000 0.927 130 K CB -0.209 32.278 32.500 -0.021 0.000 0.712 130 K HN 0.219 nan 8.250 nan 0.000 0.441 131 A N 1.657 124.466 122.820 -0.018 0.000 1.940 131 A HA -0.216 4.093 4.320 -0.017 0.000 0.219 131 A C 2.129 179.680 177.584 -0.054 0.000 1.176 131 A CA 1.500 53.525 52.037 -0.020 0.000 0.631 131 A CB -0.354 18.659 19.000 0.021 0.000 0.814 131 A HN 0.273 nan 8.150 nan 0.000 0.446 132 E N 0.060 120.210 120.200 -0.083 0.000 2.072 132 E HA -0.219 4.120 4.350 -0.017 0.000 0.191 132 E C 1.947 178.509 176.600 -0.063 0.000 0.985 132 E CA 1.491 57.824 56.400 -0.113 0.000 0.801 132 E CB -0.264 29.316 29.700 -0.201 0.000 0.750 132 E HN 0.769 nan 8.360 nan 0.000 0.452 133 E N -0.729 119.446 120.200 -0.042 0.000 2.118 133 E HA -0.142 4.198 4.350 -0.017 0.000 0.195 133 E C 1.829 178.421 176.600 -0.014 0.000 0.992 133 E CA 1.161 57.551 56.400 -0.017 0.000 0.804 133 E CB -0.305 29.392 29.700 -0.005 0.000 0.741 133 E HN 0.316 nan 8.360 nan 0.000 0.458 134 G N -0.861 107.927 108.800 -0.019 0.000 2.650 134 G HA2 0.027 3.977 3.960 -0.017 0.000 0.214 134 G HA3 0.027 3.977 3.960 -0.017 0.000 0.214 134 G C 1.094 175.984 174.900 -0.016 0.000 1.136 134 G CA 0.453 45.545 45.100 -0.014 0.000 0.789 134 G HN 0.522 nan 8.290 nan 0.000 0.536 135 G N -0.725 108.058 108.800 -0.028 0.000 2.157 135 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.239 135 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.239 135 G C 0.994 175.866 174.900 -0.046 0.000 0.982 135 G CA 0.735 45.817 45.100 -0.030 0.000 0.650 135 G HN 0.450 nan 8.290 nan 0.000 0.527 136 Q N -0.828 118.936 119.800 -0.060 0.000 2.369 136 Q HA 0.516 4.845 4.340 -0.017 0.000 0.206 136 Q C 1.077 176.941 176.000 -0.227 0.000 0.963 136 Q CA 1.340 57.098 55.803 -0.076 0.000 0.894 136 Q CB 0.603 29.323 28.738 -0.030 0.000 0.965 136 Q HN 0.876 nan 8.270 nan 0.000 0.475 137 V N -0.483 119.271 119.914 -0.267 0.000 3.012 137 V HA 0.283 4.392 4.120 -0.017 0.000 0.307 137 V C -1.712 174.239 176.094 -0.238 0.000 1.166 137 V CA -1.109 60.924 62.300 -0.444 0.000 0.974 137 V CB 2.357 33.825 31.823 -0.591 0.000 1.040 137 V HN 0.142 nan 8.190 nan 0.000 0.428 138 E N 4.650 124.736 120.200 -0.189 0.000 2.249 138 E HA 0.530 4.870 4.350 -0.017 0.000 0.280 138 E C -1.408 175.148 176.600 -0.073 0.000 1.016 138 E CA -0.564 55.799 56.400 -0.063 0.000 0.830 138 E CB 1.357 31.084 29.700 0.044 0.000 1.081 138 E HN 0.661 nan 8.360 nan 0.000 0.395 139 L N 6.346 127.545 121.223 -0.040 0.000 2.289 139 L HA 0.476 4.806 4.340 -0.017 0.000 0.285 139 L C 0.152 177.168 176.870 0.243 0.000 1.049 139 L CA -0.785 54.044 54.840 -0.017 0.000 0.804 139 L CB 0.964 42.826 42.059 -0.328 0.000 1.195 139 L HN 0.574 nan 8.230 nan 0.000 0.428 140 I N -1.126 119.572 120.570 0.214 0.000 2.846 140 I HA 0.682 4.842 4.170 -0.017 0.000 0.307 140 I C -0.202 176.031 176.117 0.193 0.000 1.053 140 I CA -0.394 61.011 61.300 0.175 0.000 1.050 140 I CB 2.282 40.405 38.000 0.206 0.000 1.239 140 I HN 0.419 nan 8.210 nan 0.000 0.439 141 T N 1.323 115.883 114.554 0.011 0.000 2.876 141 T HA 0.667 5.006 4.350 -0.017 0.000 0.277 141 T C -0.435 174.014 174.700 -0.418 0.000 0.997 141 T CA -0.276 61.815 62.100 -0.014 0.000 0.966 141 T CB 1.576 70.457 68.868 0.021 0.000 1.312 141 T HN 0.869 nan 8.240 nan 0.000 0.598 142 S N -0.489 114.877 115.700 -0.557 0.000 2.727 142 S HA 0.443 4.903 4.470 -0.017 0.000 0.278 142 S C -1.515 172.778 174.600 -0.511 0.000 1.186 142 S CA -0.755 56.843 58.200 -1.003 0.000 0.836 142 S CB 0.680 63.702 63.200 -0.296 0.000 1.186 142 S HN 0.719 nan 8.310 nan 0.000 0.499 143 N N 1.496 120.055 118.700 -0.235 0.000 2.407 143 N HA 0.239 4.968 4.740 -0.017 0.000 0.250 143 N C 1.289 176.801 175.510 0.003 0.000 1.236 143 N CA 0.748 53.804 53.050 0.010 0.000 0.879 143 N CB 0.790 39.276 38.487 -0.001 0.000 1.088 143 N HN 0.716 nan 8.380 nan 0.000 0.450 144 A N 2.240 125.037 122.820 -0.038 0.000 1.894 144 A HA -0.238 4.071 4.320 -0.017 0.000 0.220 144 A C 1.431 179.148 177.584 0.222 0.000 1.237 144 A CA 2.774 54.787 52.037 -0.040 0.000 0.660 144 A CB -0.859 17.901 19.000 -0.400 0.000 0.835 144 A HN 0.774 nan 8.150 nan 0.000 0.461 145 T N -6.373 108.283 114.554 0.171 0.000 3.296 145 T HA 0.346 4.685 4.350 -0.017 0.000 0.285 145 T C 0.263 175.087 174.700 0.208 0.000 1.014 145 T CA 0.622 62.866 62.100 0.239 0.000 0.920 145 T CB -0.230 68.766 68.868 0.213 0.000 1.143 145 T HN 0.663 nan 8.240 nan 0.000 0.522 146 H N 0.420 119.488 119.070 -0.003 0.000 2.826 146 H HA -0.144 4.402 4.556 -0.017 0.000 0.306 146 H C 0.561 175.867 175.328 -0.036 0.000 1.235 146 H CA 0.570 56.558 56.048 -0.100 0.000 1.150 146 H CB -1.214 28.341 29.762 -0.344 0.000 1.409 146 H HN 0.768 nan 8.280 nan 0.000 0.420 147 G N 0.850 109.660 108.800 0.016 0.000 2.491 147 G HA2 0.132 4.082 3.960 -0.017 0.000 0.238 147 G HA3 0.132 4.082 3.960 -0.017 0.000 0.238 147 G C -0.479 174.414 174.900 -0.012 0.000 1.277 147 G CA -0.292 44.843 45.100 0.057 0.000 0.851 147 G HN 0.437 nan 8.290 nan 0.000 0.573 148 Y N 2.459 122.751 120.300 -0.012 0.000 2.616 148 Y HA 0.207 4.746 4.550 -0.018 0.000 0.350 148 Y C 1.839 177.669 175.900 -0.116 0.000 1.119 148 Y CA -0.055 57.965 58.100 -0.134 0.000 1.467 148 Y CB 0.261 38.691 38.460 -0.050 0.000 1.287 148 Y HN 0.509 nan 8.280 nan 0.000 0.504 149 S N 5.304 120.733 115.700 -0.452 0.000 2.372 149 S HA -0.189 4.271 4.470 -0.017 0.000 0.227 149 S C -0.722 173.665 174.600 -0.354 0.000 1.044 149 S CA 1.848 59.846 58.200 -0.336 0.000 1.050 149 S CB -0.967 62.025 63.200 -0.347 0.000 0.901 149 S HN 0.618 nan 8.310 nan 0.000 0.447 150 P HA 0.056 nan 4.420 nan 0.000 0.223 150 P C 0.929 178.067 177.300 -0.270 0.000 1.151 150 P CA 0.836 63.700 63.100 -0.393 0.000 0.787 150 P CB -0.037 31.415 31.700 -0.413 0.000 0.788 151 L N -2.223 118.906 121.223 -0.158 0.000 2.590 151 L HA 0.144 4.474 4.340 -0.017 0.000 0.227 151 L C 0.854 177.767 176.870 0.071 0.000 1.099 151 L CA -0.238 54.538 54.840 -0.106 0.000 0.872 151 L CB -0.264 41.473 42.059 -0.537 0.000 1.088 151 L HN -0.097 nan 8.230 nan 0.000 0.479 152 L N 0.350 121.649 121.223 0.127 0.000 2.525 152 L HA -0.011 4.319 4.340 -0.017 0.000 0.278 152 L C 1.571 178.455 176.870 0.023 0.000 1.218 152 L CA 0.182 55.179 54.840 0.262 0.000 0.878 152 L CB 0.346 42.492 42.059 0.144 0.000 1.127 152 L HN 0.110 nan 8.230 nan 0.000 0.492 153 G N 2.584 111.494 108.800 0.182 0.000 2.712 153 G HA2 0.004 3.954 3.960 -0.017 0.000 0.212 153 G HA3 0.004 3.954 3.960 -0.017 0.000 0.212 153 G C -0.040 174.465 174.900 -0.658 0.000 1.142 153 G CA 0.229 45.096 45.100 -0.388 0.000 0.789 153 G HN 0.494 nan 8.290 nan 0.000 0.535 154 Y N -0.671 119.565 120.300 -0.107 0.000 2.470 154 Y HA 0.289 4.829 4.550 -0.017 0.000 0.341 154 Y C 0.217 176.081 175.900 -0.060 0.000 1.021 154 Y CA -1.227 56.837 58.100 -0.060 0.000 1.025 154 Y CB 1.815 40.307 38.460 0.053 0.000 1.266 154 Y HN -0.127 nan 8.280 nan 0.000 0.448 155 D N 1.334 121.782 120.400 0.080 0.000 2.182 155 D HA -0.150 4.480 4.640 -0.017 0.000 0.201 155 D C 1.235 177.614 176.300 0.131 0.000 0.986 155 D CA 1.617 55.654 54.000 0.063 0.000 0.847 155 D CB 0.184 41.063 40.800 0.132 0.000 0.942 155 D HN 0.743 nan 8.370 nan 0.000 0.467 156 E N 0.689 121.040 120.200 0.251 0.000 2.110 156 E HA -0.067 4.272 4.350 -0.017 0.000 0.193 156 E C 2.040 178.691 176.600 0.084 0.000 0.988 156 E CA 1.148 57.686 56.400 0.230 0.000 0.804 156 E CB -0.191 29.677 29.700 0.281 0.000 0.745 156 E HN 0.256 nan 8.360 nan 0.000 0.458 157 A N 0.541 123.476 122.820 0.192 0.000 1.897 157 A HA -0.073 4.237 4.320 -0.017 0.000 0.215 157 A C 2.092 179.695 177.584 0.033 0.000 1.181 157 A CA 0.846 53.002 52.037 0.198 0.000 0.620 157 A CB -0.489 18.704 19.000 0.320 0.000 0.821 157 A HN 0.253 nan 8.150 nan 0.000 0.443 158 L N -0.775 120.451 121.223 0.005 0.000 2.046 158 L HA -0.126 4.204 4.340 -0.017 0.000 0.208 158 L C 2.236 179.028 176.870 -0.130 0.000 1.077 158 L CA 1.954 56.749 54.840 -0.075 0.000 0.747 158 L CB -0.811 41.176 42.059 -0.119 0.000 0.896 158 L HN 0.684 nan 8.230 nan 0.000 0.432 159 W N 0.365 121.408 121.300 -0.429 0.000 2.318 159 W HA -0.324 4.326 4.660 -0.017 0.000 0.313 159 W C 2.203 178.437 176.519 -0.474 0.000 1.221 159 W CA 2.083 59.064 57.345 -0.608 0.000 1.266 159 W CB -0.203 28.619 29.460 -1.063 0.000 1.150 159 W HN 0.373 nan 8.180 nan 0.000 0.496 160 A N 0.440 123.009 122.820 -0.419 0.000 1.940 160 A HA -0.270 4.040 4.320 -0.017 0.000 0.219 160 A C 1.952 179.285 177.584 -0.419 0.000 1.176 160 A CA 1.747 53.447 52.037 -0.561 0.000 0.631 160 A CB -1.023 17.455 19.000 -0.870 0.000 0.814 160 A HN 0.425 nan 8.150 nan 0.000 0.446 161 Q N -0.479 119.154 119.800 -0.278 0.000 2.050 161 Q HA -0.130 4.199 4.340 -0.017 0.000 0.202 161 Q C 2.206 178.076 176.000 -0.216 0.000 0.980 161 Q CA 1.574 57.256 55.803 -0.201 0.000 0.840 161 Q CB -0.335 28.347 28.738 -0.093 0.000 0.898 161 Q HN 0.779 nan 8.270 nan 0.000 0.424 162 I N 0.752 121.160 120.570 -0.271 0.000 2.163 162 I HA -0.266 3.894 4.170 -0.017 0.000 0.240 162 I C 2.334 178.220 176.117 -0.384 0.000 1.081 162 I CA 1.073 62.218 61.300 -0.258 0.000 1.353 162 I CB -0.194 37.539 38.000 -0.445 0.000 1.054 162 I HN 0.059 nan 8.210 nan 0.000 0.407 163 K N 0.231 120.217 120.400 -0.690 0.000 2.155 163 K HA -0.059 4.251 4.320 -0.017 0.000 0.203 163 K C 2.106 178.444 176.600 -0.435 0.000 1.052 163 K CA 1.374 57.238 56.287 -0.704 0.000 0.948 163 K CB -0.548 31.307 32.500 -1.076 0.000 0.728 163 K HN 0.313 nan 8.250 nan 0.000 0.448 164 T N 0.491 114.792 114.554 -0.422 0.000 2.788 164 T HA -0.104 4.235 4.350 -0.017 0.000 0.268 164 T C 1.919 176.450 174.700 -0.282 0.000 1.044 164 T CA 1.549 63.414 62.100 -0.391 0.000 1.139 164 T CB -0.386 68.147 68.868 -0.559 0.000 0.867 164 T HN 0.440 nan 8.240 nan 0.000 0.454 165 G N 1.054 109.734 108.800 -0.200 0.000 2.421 165 G HA2 -0.164 3.786 3.960 -0.017 0.000 0.216 165 G HA3 -0.164 3.786 3.960 -0.017 0.000 0.216 165 G C 1.701 176.596 174.900 -0.008 0.000 1.171 165 G CA 0.806 45.875 45.100 -0.052 0.000 0.775 165 G HN 0.429 nan 8.290 nan 0.000 0.543 166 V N 2.001 121.879 119.914 -0.060 0.000 2.343 166 V HA -0.218 3.891 4.120 -0.017 0.000 0.247 166 V C 3.290 179.368 176.094 -0.026 0.000 1.051 166 V CA 2.425 64.691 62.300 -0.058 0.000 1.036 166 V CB -0.591 31.142 31.823 -0.149 0.000 0.654 166 V HN 0.617 nan 8.190 nan 0.000 0.451 167 S N -0.782 114.862 115.700 -0.093 0.000 2.402 167 S HA -0.206 4.254 4.470 -0.017 0.000 0.229 167 S C 1.921 176.476 174.600 -0.075 0.000 1.021 167 S CA 1.788 59.941 58.200 -0.078 0.000 0.974 167 S CB -0.742 62.391 63.200 -0.112 0.000 0.800 167 S HN 0.567 nan 8.310 nan 0.000 0.484 168 T N 1.018 115.527 114.554 -0.074 0.000 2.708 168 T HA -0.076 4.264 4.350 -0.017 0.000 0.266 168 T C 1.407 175.959 174.700 -0.247 0.000 1.037 168 T CA 1.559 63.556 62.100 -0.172 0.000 1.146 168 T CB -0.670 68.201 68.868 0.004 0.000 0.865 168 T HN 0.582 nan 8.240 nan 0.000 0.435 169 Y N 1.891 122.113 120.300 -0.130 0.000 2.128 169 Y HA -0.215 4.325 4.550 -0.017 0.000 0.284 169 Y C 2.778 178.661 175.900 -0.029 0.000 1.154 169 Y CA 1.751 59.845 58.100 -0.010 0.000 1.149 169 Y CB -0.098 38.455 38.460 0.154 0.000 0.976 169 Y HN -0.023 nan 8.280 nan 0.000 0.505 170 R N 0.256 120.900 120.500 0.241 0.000 2.081 170 R HA -0.224 4.105 4.340 -0.017 0.000 0.235 170 R C 2.526 178.820 176.300 -0.010 0.000 1.131 170 R CA 1.735 57.925 56.100 0.151 0.000 0.960 170 R CB -0.326 30.032 30.300 0.096 0.000 0.856 170 R HN 0.330 nan 8.270 nan 0.000 0.436 171 R N -0.676 119.749 120.500 -0.125 0.000 2.083 171 R HA -0.179 4.151 4.340 -0.017 0.000 0.237 171 R C 1.855 178.050 176.300 -0.175 0.000 1.137 171 R CA 2.316 58.309 56.100 -0.179 0.000 0.951 171 R CB -0.253 29.869 30.300 -0.296 0.000 0.851 171 R HN 0.521 nan 8.270 nan 0.000 0.434 172 H N -2.421 116.435 119.070 -0.356 0.000 2.448 172 H HA 0.027 4.573 4.556 -0.017 0.000 0.292 172 H C 0.960 175.940 175.328 -0.580 0.000 1.035 172 H CA 1.175 56.851 56.048 -0.620 0.000 1.349 172 H CB 0.322 29.410 29.762 -1.123 0.000 1.425 172 H HN 0.244 nan 8.280 nan 0.000 0.539 173 F N -1.397 118.524 119.950 -0.049 0.000 2.767 173 F HA 0.399 4.915 4.527 -0.018 0.000 0.323 173 F C 1.286 177.057 175.800 -0.048 0.000 1.091 173 F CA 0.129 58.050 58.000 -0.131 0.000 1.192 173 F CB 0.999 39.747 39.000 -0.420 0.000 1.056 173 F HN 0.011 nan 8.300 nan 0.000 0.571 174 A N 1.070 123.964 122.820 0.123 0.000 2.860 174 A HA -0.247 4.062 4.320 -0.017 0.000 0.267 174 A C 0.099 177.765 177.584 0.136 0.000 1.421 174 A CA 1.144 53.244 52.037 0.105 0.000 0.831 174 A CB -2.280 16.767 19.000 0.078 0.000 1.041 174 A HN 0.471 nan 8.150 nan 0.000 0.623 175 K N -0.289 120.238 120.400 0.211 0.000 2.512 175 K HA 0.472 4.782 4.320 -0.017 0.000 0.263 175 K C -1.486 175.319 176.600 0.341 0.000 0.966 175 K CA -1.064 55.367 56.287 0.240 0.000 0.851 175 K CB 1.374 34.021 32.500 0.246 0.000 1.395 175 K HN 0.264 nan 8.250 nan 0.000 0.440 176 D N 3.361 123.886 120.400 0.209 0.000 2.304 176 D HA 0.184 4.813 4.640 -0.017 0.000 0.250 176 D C -2.156 174.149 176.300 0.009 0.000 1.107 176 D CA -1.138 52.930 54.000 0.113 0.000 0.885 176 D CB 0.932 41.753 40.800 0.035 0.000 1.192 176 D HN 0.191 nan 8.370 nan 0.000 0.436 177 P HA 0.111 nan 4.420 nan 0.000 0.280 177 P C 0.438 177.551 177.300 -0.312 0.000 1.244 177 P CA -0.316 62.409 63.100 -0.626 0.000 0.784 177 P CB 1.125 32.117 31.700 -1.181 0.000 0.913 178 T N -0.955 113.450 114.554 -0.247 0.000 2.990 178 T HA 0.270 4.609 4.350 -0.017 0.000 0.249 178 T C 1.002 175.240 174.700 -0.770 0.000 1.039 178 T CA 0.079 61.988 62.100 -0.319 0.000 1.036 178 T CB -0.238 68.581 68.868 -0.082 0.000 0.994 178 T HN 0.469 nan 8.240 nan 0.000 0.489 179 G N 0.478 108.902 108.800 -0.627 0.000 2.410 179 G HA2 0.621 4.571 3.960 -0.017 0.000 0.330 179 G HA3 0.621 4.571 3.960 -0.017 0.000 0.330 179 G C -1.843 172.996 174.900 -0.102 0.000 1.142 179 G CA -0.865 43.863 45.100 -0.621 0.000 0.902 179 G HN 0.298 nan 8.290 nan 0.000 0.491 180 F N 0.801 120.657 119.950 -0.156 0.000 2.581 180 F HA 0.479 4.996 4.527 -0.017 0.000 0.311 180 F C -1.016 174.883 175.800 0.164 0.000 1.113 180 F CA -1.455 56.521 58.000 -0.040 0.000 0.935 180 F CB 1.903 40.790 39.000 -0.188 0.000 1.232 180 F HN 0.542 nan 8.300 nan 0.000 0.445 181 W N 9.221 130.389 121.300 -0.220 0.000 2.342 181 W HA 0.415 5.065 4.660 -0.016 0.000 0.310 181 W C -1.474 174.886 176.519 -0.265 0.000 1.128 181 W CA -0.747 56.516 57.345 -0.137 0.000 1.322 181 W CB 0.939 30.264 29.460 -0.225 0.000 1.251 181 W HN 0.411 nan 8.180 nan 0.000 0.439 182 L N 9.338 130.268 121.223 -0.488 0.000 2.477 182 L HA 0.086 4.416 4.340 -0.017 0.000 0.272 182 L C -1.658 174.710 176.870 -0.836 0.000 1.157 182 L CA -1.590 52.979 54.840 -0.451 0.000 0.889 182 L CB 0.198 42.008 42.059 -0.414 0.000 1.158 182 L HN 0.169 nan 8.230 nan 0.000 0.473 183 P HA -0.068 nan 4.420 nan 0.000 0.261 183 P C -0.119 176.790 177.300 -0.652 0.000 1.183 183 P CA 0.354 62.983 63.100 -0.785 0.000 0.761 183 P CB 0.325 31.374 31.700 -1.085 0.000 0.785 184 E N 3.282 123.258 120.200 -0.373 0.000 2.883 184 E HA -0.275 4.065 4.350 -0.017 0.000 0.271 184 E C 0.398 176.650 176.600 -0.580 0.000 1.049 184 E CA 0.801 57.074 56.400 -0.211 0.000 0.817 184 E CB -2.077 27.621 29.700 -0.003 0.000 1.407 184 E HN 0.673 nan 8.360 nan 0.000 0.434 185 M N -3.181 115.829 119.600 -0.985 0.000 2.436 185 M HA -0.295 4.174 4.480 -0.017 0.000 0.197 185 M C 0.324 176.378 176.300 -0.410 0.000 0.442 185 M CA 1.344 56.173 55.300 -0.786 0.000 0.473 185 M CB -1.607 30.571 32.600 -0.703 0.000 1.685 185 M HN 0.335 nan 8.290 nan 0.000 0.835 186 A N 0.655 123.193 122.820 -0.470 0.000 2.309 186 A HA 0.574 4.883 4.320 -0.017 0.000 0.290 186 A C -0.891 176.505 177.584 -0.314 0.000 1.206 186 A CA -0.182 51.601 52.037 -0.424 0.000 0.850 186 A CB 0.289 18.652 19.000 -1.062 0.000 1.118 186 A HN 0.418 nan 8.150 nan 0.000 0.523 187 Y N 2.235 122.389 120.300 -0.244 0.000 2.462 187 Y HA 0.679 5.218 4.550 -0.017 0.000 0.346 187 Y C -0.256 175.580 175.900 -0.106 0.000 0.976 187 Y CA -0.983 56.993 58.100 -0.207 0.000 1.044 187 Y CB 1.574 39.916 38.460 -0.197 0.000 1.230 187 Y HN 0.748 nan 8.280 nan 0.000 0.455 188 R N 7.313 127.138 120.500 -1.126 0.000 2.538 188 R HA 0.544 4.874 4.340 -0.017 0.000 0.292 188 R C -3.226 172.439 176.300 -1.059 0.000 1.008 188 R CA -2.079 53.560 56.100 -0.768 0.000 0.896 188 R CB 2.355 32.420 30.300 -0.393 0.000 1.187 188 R HN 0.471 nan 8.270 nan 0.000 0.440 189 P HA 0.152 nan 4.420 nan 0.000 0.279 189 P C -1.255 175.953 177.300 -0.153 0.000 1.276 189 P CA -0.625 62.339 63.100 -0.228 0.000 0.801 189 P CB 0.903 32.640 31.700 0.062 0.000 1.127 190 K N -0.110 120.242 120.400 -0.080 0.000 2.485 190 K HA 0.409 4.719 4.320 -0.017 0.000 0.277 190 K C 0.261 176.841 176.600 -0.033 0.000 0.990 190 K CA 0.729 56.977 56.287 -0.064 0.000 0.994 190 K CB -0.563 31.913 32.500 -0.040 0.000 0.906 190 K HN 0.860 nan 8.250 nan 0.000 0.488 191 G N 3.014 111.801 108.800 -0.021 0.000 2.368 191 G HA2 0.054 4.003 3.960 -0.017 0.000 0.302 191 G HA3 0.054 4.003 3.960 -0.017 0.000 0.302 191 G C -3.142 171.783 174.900 0.042 0.000 1.329 191 G CA -1.247 43.858 45.100 0.009 0.000 0.935 191 G HN 0.454 nan 8.290 nan 0.000 0.590 192 P HA 0.321 nan 4.420 nan 0.000 0.264 192 P C -0.967 176.418 177.300 0.142 0.000 1.183 192 P CA 0.537 63.676 63.100 0.065 0.000 0.763 192 P CB 0.466 32.180 31.700 0.024 0.000 0.807 193 W N 4.197 125.451 121.300 -0.077 0.000 2.900 193 W HA 0.458 5.108 4.660 -0.017 0.000 0.336 193 W C -1.136 175.322 176.519 -0.102 0.000 1.064 193 W CA -0.720 56.569 57.345 -0.092 0.000 1.237 193 W CB 1.631 31.020 29.460 -0.117 0.000 1.391 193 W HN 0.110 nan 8.180 nan 0.000 0.468 194 K N 7.689 127.647 120.400 -0.737 0.000 2.323 194 K HA 0.486 4.796 4.320 -0.017 0.000 0.259 194 K C -2.340 173.467 176.600 -1.321 0.000 0.947 194 K CA -1.881 53.953 56.287 -0.754 0.000 0.819 194 K CB 1.771 34.028 32.500 -0.405 0.000 1.109 194 K HN 0.167 nan 8.250 nan 0.000 0.429 195 P HA 0.077 nan 4.420 nan 0.000 0.271 195 P C -2.216 174.789 177.300 -0.492 0.000 1.218 195 P CA -1.049 61.377 63.100 -1.123 0.000 0.780 195 P CB 0.667 31.963 31.700 -0.675 0.000 0.901 196 P HA 0.010 nan 4.420 nan 0.000 0.229 196 P C 0.067 177.374 177.300 0.011 0.000 1.160 196 P CA 0.739 63.775 63.100 -0.106 0.000 0.777 196 P CB 0.486 32.142 31.700 -0.075 0.000 0.814 197 V N -0.271 119.720 119.914 0.129 0.000 3.049 197 V HA 0.214 4.324 4.120 -0.017 0.000 0.309 197 V C 0.035 176.242 176.094 0.189 0.000 1.148 197 V CA -1.060 61.350 62.300 0.182 0.000 0.990 197 V CB 2.625 34.604 31.823 0.260 0.000 1.039 197 V HN -0.122 nan 8.190 nan 0.000 0.430 198 E N 1.338 121.619 120.200 0.135 0.000 2.415 198 E HA 0.448 4.788 4.350 -0.017 0.000 0.262 198 E C 0.391 177.122 176.600 0.220 0.000 1.038 198 E CA 0.356 56.826 56.400 0.117 0.000 0.921 198 E CB 0.728 30.478 29.700 0.085 0.000 0.950 198 E HN 0.925 nan 8.360 nan 0.000 0.438 199 G N 3.211 112.126 108.800 0.192 0.000 4.370 199 G HA2 0.268 4.218 3.960 -0.017 0.000 0.295 199 G HA3 0.268 4.218 3.960 -0.017 0.000 0.295 199 G C -2.652 172.292 174.900 0.073 0.000 1.312 199 G CA -0.834 44.321 45.100 0.091 0.000 0.845 199 G HN 0.248 nan 8.290 nan 0.000 0.531 200 P HA 0.302 nan 4.420 nan 0.000 0.274 200 P C -2.432 174.771 177.300 -0.162 0.000 1.231 200 P CA -1.364 61.551 63.100 -0.308 0.000 0.790 200 P CB 0.968 32.153 31.700 -0.858 0.000 0.951 201 P HA 0.135 nan 4.420 nan 0.000 0.278 201 P C -0.391 176.900 177.300 -0.014 0.000 1.238 201 P CA -0.195 62.891 63.100 -0.023 0.000 0.794 201 P CB 0.822 32.544 31.700 0.037 0.000 0.955 202 E N 0.860 121.038 120.200 -0.038 0.000 2.373 202 E HA 0.467 4.807 4.350 -0.017 0.000 0.267 202 E C -0.068 176.547 176.600 0.024 0.000 1.032 202 E CA -0.247 56.135 56.400 -0.030 0.000 0.889 202 E CB 0.164 29.813 29.700 -0.085 0.000 0.984 202 E HN 0.741 nan 8.360 nan 0.000 0.425 203 G N 1.385 110.225 108.800 0.066 0.000 2.338 203 G HA2 0.152 4.102 3.960 -0.017 0.000 0.295 203 G HA3 0.152 4.102 3.960 -0.017 0.000 0.295 203 G C -1.271 173.669 174.900 0.066 0.000 1.461 203 G CA -0.788 44.340 45.100 0.047 0.000 0.817 203 G HN 0.452 nan 8.290 nan 0.000 0.556 204 V N 1.072 121.003 119.914 0.030 0.000 2.529 204 V HA 0.322 4.431 4.120 -0.017 0.000 0.292 204 V C 0.738 176.829 176.094 -0.005 0.000 1.028 204 V CA 0.269 62.580 62.300 0.018 0.000 1.074 204 V CB 0.497 32.318 31.823 -0.003 0.000 0.958 204 V HN 0.630 nan 8.190 nan 0.000 0.481 205 R N 6.202 126.688 120.500 -0.022 0.000 2.711 205 R HA 0.489 4.819 4.340 -0.017 0.000 0.284 205 R C -2.568 173.673 176.300 -0.098 0.000 0.968 205 R CA -1.918 54.130 56.100 -0.088 0.000 0.924 205 R CB 2.026 32.213 30.300 -0.189 0.000 1.162 205 R HN 0.456 nan 8.270 nan 0.000 0.465 206 P HA -0.002 nan 4.420 nan 0.000 0.270 206 P C -0.084 177.130 177.300 -0.142 0.000 1.223 206 P CA -0.164 62.879 63.100 -0.096 0.000 0.785 206 P CB 0.540 32.198 31.700 -0.071 0.000 0.923 207 G N 0.549 109.273 108.800 -0.127 0.000 2.544 207 G HA2 0.168 4.118 3.960 -0.017 0.000 0.242 207 G HA3 0.168 4.118 3.960 -0.017 0.000 0.242 207 G C 1.300 176.076 174.900 -0.207 0.000 1.247 207 G CA -0.607 44.380 45.100 -0.188 0.000 0.840 207 G HN 0.291 nan 8.290 nan 0.000 0.578 208 V N 1.514 121.230 119.914 -0.330 0.000 2.392 208 V HA -0.204 3.905 4.120 -0.017 0.000 0.249 208 V C 2.710 178.713 176.094 -0.152 0.000 1.059 208 V CA 2.388 64.526 62.300 -0.270 0.000 1.051 208 V CB -0.518 31.098 31.823 -0.345 0.000 0.658 208 V HN 0.934 nan 8.190 nan 0.000 0.455 209 D N 0.124 120.518 120.400 -0.011 0.000 2.178 209 D HA -0.253 4.376 4.640 -0.017 0.000 0.201 209 D C 1.741 177.999 176.300 -0.070 0.000 0.980 209 D CA 1.465 55.455 54.000 -0.018 0.000 0.842 209 D CB -0.253 40.588 40.800 0.069 0.000 0.948 209 D HN 0.587 nan 8.370 nan 0.000 0.472 210 E N 0.437 120.601 120.200 -0.060 0.000 2.106 210 E HA -0.029 4.311 4.350 -0.017 0.000 0.192 210 E C 2.524 179.097 176.600 -0.045 0.000 0.984 210 E CA 0.406 56.775 56.400 -0.052 0.000 0.806 210 E CB 0.007 29.678 29.700 -0.048 0.000 0.750 210 E HN 0.340 nan 8.360 nan 0.000 0.458 211 L N 0.697 121.884 121.223 -0.060 0.000 2.093 211 L HA -0.150 4.179 4.340 -0.017 0.000 0.208 211 L C 2.462 179.321 176.870 -0.018 0.000 1.085 211 L CA 0.723 55.567 54.840 0.007 0.000 0.755 211 L CB -0.445 41.599 42.059 -0.025 0.000 0.904 211 L HN 0.183 nan 8.230 nan 0.000 0.435 212 L N -0.937 120.170 121.223 -0.194 0.000 2.012 212 L HA -0.257 4.072 4.340 -0.017 0.000 0.210 212 L C 2.850 179.599 176.870 -0.201 0.000 1.073 212 L CA 1.165 55.808 54.840 -0.329 0.000 0.748 212 L CB -0.459 41.335 42.059 -0.441 0.000 0.891 212 L HN 0.307 nan 8.230 nan 0.000 0.431 213 M N -0.442 119.083 119.600 -0.124 0.000 2.108 213 M HA -0.221 4.249 4.480 -0.017 0.000 0.261 213 M C 2.389 178.675 176.300 -0.022 0.000 1.066 213 M CA 1.806 57.060 55.300 -0.077 0.000 1.107 213 M CB -1.113 31.454 32.600 -0.055 0.000 1.356 213 M HN 0.219 nan 8.290 nan 0.000 0.406 214 R N -0.349 120.177 120.500 0.043 0.000 2.120 214 R HA -0.032 4.297 4.340 -0.017 0.000 0.234 214 R C 1.915 178.346 176.300 0.218 0.000 1.123 214 R CA 1.280 57.465 56.100 0.142 0.000 0.975 214 R CB -0.370 30.026 30.300 0.160 0.000 0.866 214 R HN 0.364 nan 8.270 nan 0.000 0.446 215 A N -0.084 122.797 122.820 0.102 0.000 2.238 215 A HA 0.239 4.548 4.320 -0.017 0.000 0.208 215 A C 1.375 178.887 177.584 -0.121 0.000 1.177 215 A CA 0.716 52.689 52.037 -0.106 0.000 0.804 215 A CB -0.060 18.721 19.000 -0.365 0.000 0.823 215 A HN 0.447 nan 8.150 nan 0.000 0.482 216 G N -1.010 107.741 108.800 -0.082 0.000 2.176 216 G HA2 -0.191 3.758 3.960 -0.017 0.000 0.253 216 G HA3 -0.191 3.758 3.960 -0.017 0.000 0.253 216 G C 0.074 174.889 174.900 -0.141 0.000 0.979 216 G CA 0.119 45.165 45.100 -0.089 0.000 0.641 216 G HN 0.311 nan 8.290 nan 0.000 0.530 217 I N 0.600 121.050 120.570 -0.199 0.000 2.634 217 I HA 0.341 4.500 4.170 -0.017 0.000 0.284 217 I C 1.383 177.353 176.117 -0.245 0.000 1.124 217 I CA 0.035 61.171 61.300 -0.273 0.000 1.417 217 I CB 1.170 38.956 38.000 -0.357 0.000 1.396 217 I HN 0.049 nan 8.210 nan 0.000 0.571 218 R N 4.917 125.228 120.500 -0.315 0.000 2.394 218 R HA 0.177 4.506 4.340 -0.017 0.000 0.220 218 R C -0.805 175.457 176.300 -0.064 0.000 0.887 218 R CA 0.246 56.263 56.100 -0.140 0.000 1.034 218 R CB 0.430 30.743 30.300 0.021 0.000 1.179 218 R HN 0.704 nan 8.270 nan 0.000 0.561 219 Y N -3.369 116.831 120.300 -0.166 0.000 2.592 219 Y HA 0.698 5.237 4.550 -0.018 0.000 0.334 219 Y C -0.278 175.377 175.900 -0.408 0.000 1.136 219 Y CA -1.104 56.833 58.100 -0.272 0.000 1.042 219 Y CB 1.300 39.600 38.460 -0.266 0.000 1.325 219 Y HN -0.197 nan 8.280 nan 0.000 0.457 220 T N 0.529 114.799 114.554 -0.473 0.000 2.618 220 T HA 0.763 5.103 4.350 -0.017 0.000 0.293 220 T C -2.315 171.771 174.700 -1.025 0.000 1.093 220 T CA -0.870 60.786 62.100 -0.740 0.000 1.061 220 T CB 0.990 69.675 68.868 -0.305 0.000 1.498 220 T HN 0.520 nan 8.240 nan 0.000 0.494 221 F N 1.409 121.230 119.950 -0.215 0.000 2.539 221 F HA 0.681 5.198 4.527 -0.017 0.000 0.318 221 F C 0.007 175.559 175.800 -0.412 0.000 1.135 221 F CA -0.884 56.956 58.000 -0.268 0.000 0.915 221 F CB 2.018 40.870 39.000 -0.247 0.000 1.176 221 F HN 0.458 nan 8.300 nan 0.000 0.440 222 V N -1.626 118.186 119.914 -0.171 0.000 3.074 222 V HA 0.668 4.778 4.120 -0.017 0.000 0.314 222 V C -0.908 175.110 176.094 -0.127 0.000 1.117 222 V CA -0.771 61.389 62.300 -0.233 0.000 1.014 222 V CB 2.054 33.690 31.823 -0.311 0.000 1.057 222 V HN 0.601 nan 8.190 nan 0.000 0.438 223 D N 0.586 120.928 120.400 -0.096 0.000 2.344 223 D HA 0.566 5.196 4.640 -0.017 0.000 0.244 223 D C 1.224 177.487 176.300 -0.061 0.000 1.134 223 D CA 0.571 54.590 54.000 0.032 0.000 0.930 223 D CB 1.989 42.905 40.800 0.192 0.000 1.175 223 D HN 0.911 nan 8.370 nan 0.000 0.437 224 A N 2.836 125.687 122.820 0.052 0.000 1.903 224 A HA -0.259 4.050 4.320 -0.017 0.000 0.219 224 A C 1.892 179.478 177.584 0.003 0.000 1.191 224 A CA 2.156 54.208 52.037 0.026 0.000 0.638 224 A CB -1.109 17.941 19.000 0.083 0.000 0.823 224 A HN 0.823 nan 8.150 nan 0.000 0.451 225 H N -1.429 117.647 119.070 0.011 0.000 2.521 225 H HA 0.049 4.595 4.556 -0.017 0.000 0.286 225 H C 1.584 176.899 175.328 -0.020 0.000 1.034 225 H CA 1.284 57.336 56.048 0.006 0.000 1.278 225 H CB -0.519 29.259 29.762 0.027 0.000 1.386 225 H HN 0.347 nan 8.280 nan 0.000 0.567 226 L N 1.587 122.525 121.223 -0.475 0.000 2.291 226 L HA -0.103 4.226 4.340 -0.017 0.000 0.214 226 L C 2.712 179.426 176.870 -0.260 0.000 1.120 226 L CA 1.027 55.655 54.840 -0.354 0.000 0.799 226 L CB -0.151 41.676 42.059 -0.386 0.000 0.925 226 L HN 0.401 nan 8.230 nan 0.000 0.446 227 V N -3.405 116.358 119.914 -0.251 0.000 3.379 227 V HA 0.018 4.127 4.120 -0.017 0.000 0.249 227 V C 1.650 177.671 176.094 -0.122 0.000 1.184 227 V CA 0.729 62.855 62.300 -0.292 0.000 1.106 227 V CB -0.193 31.304 31.823 -0.543 0.000 0.826 227 V HN 0.613 nan 8.190 nan 0.000 0.465 228 Q N 0.952 120.723 119.800 -0.049 0.000 2.247 228 Q HA 0.514 4.843 4.340 -0.017 0.000 0.211 228 Q C 1.146 177.169 176.000 0.038 0.000 0.861 228 Q CA 0.574 56.388 55.803 0.018 0.000 0.949 228 Q CB 0.747 29.515 28.738 0.049 0.000 1.115 228 Q HN 0.864 nan 8.270 nan 0.000 0.507 229 G N 0.659 109.482 108.800 0.039 0.000 2.598 229 G HA2 -0.026 3.924 3.960 -0.017 0.000 0.244 229 G HA3 -0.026 3.924 3.960 -0.017 0.000 0.244 229 G C 0.516 175.475 174.900 0.098 0.000 1.302 229 G CA -0.037 45.103 45.100 0.067 0.000 0.903 229 G HN 1.259 nan 8.290 nan 0.000 0.575 230 G N -1.552 107.293 108.800 0.074 0.000 2.645 230 G HA2 0.145 4.095 3.960 -0.017 0.000 0.246 230 G HA3 0.145 4.095 3.960 -0.017 0.000 0.246 230 G C 0.045 174.971 174.900 0.043 0.000 1.322 230 G CA 0.805 45.939 45.100 0.057 0.000 0.898 230 G HN 1.531 nan 8.290 nan 0.000 0.573 231 E N 1.957 122.165 120.200 0.013 0.000 2.398 231 E HA 0.331 4.671 4.350 -0.017 0.000 0.263 231 E C -1.648 174.890 176.600 -0.103 0.000 1.046 231 E CA -0.941 55.433 56.400 -0.043 0.000 0.908 231 E CB 0.553 30.238 29.700 -0.024 0.000 0.963 231 E HN 0.424 nan 8.360 nan 0.000 0.431 232 P HA 0.034 nan 4.420 nan 0.000 0.278 232 P C 0.791 178.026 177.300 -0.108 0.000 1.238 232 P CA -0.389 62.471 63.100 -0.399 0.000 0.794 232 P CB 0.872 32.253 31.700 -0.532 0.000 0.955 233 L N 2.053 123.281 121.223 0.009 0.000 2.131 233 L HA -0.059 4.270 4.340 -0.017 0.000 0.210 233 L C 1.238 178.096 176.870 -0.019 0.000 1.092 233 L CA 1.824 56.684 54.840 0.034 0.000 0.759 233 L CB -0.695 41.420 42.059 0.094 0.000 0.903 233 L HN 0.392 nan 8.230 nan 0.000 0.435 244 V N 3.395 123.345 119.914 0.061 0.000 2.486 244 V HA -0.034 4.076 4.120 -0.017 0.000 0.290 244 V C 1.282 177.431 176.094 0.092 0.000 0.991 244 V CA 0.630 62.972 62.300 0.069 0.000 1.142 244 V CB -0.225 31.636 31.823 0.063 0.000 0.926 244 V HN 0.445 nan 8.190 nan 0.000 0.472 245 E N 3.153 123.411 120.200 0.095 0.000 2.385 245 E HA 0.294 4.633 4.350 -0.017 0.000 0.254 245 E C 0.406 177.085 176.600 0.132 0.000 1.228 245 E CA -0.184 56.286 56.400 0.117 0.000 0.956 245 E CB 0.986 30.754 29.700 0.112 0.000 1.116 245 E HN 0.722 nan 8.360 nan 0.000 0.507 246 S N 1.210 117.014 115.700 0.173 0.000 2.488 246 S HA 0.231 4.691 4.470 -0.017 0.000 0.310 246 S C 0.085 174.841 174.600 0.260 0.000 1.093 246 S CA -0.998 57.316 58.200 0.191 0.000 1.129 246 S CB 0.672 64.016 63.200 0.239 0.000 0.989 246 S HN 0.208 nan 8.310 nan 0.000 0.479 247 Q N 1.882 121.795 119.800 0.188 0.000 2.443 247 Q HA 0.171 4.500 4.340 -0.017 0.000 0.232 247 Q C 1.189 177.351 176.000 0.271 0.000 1.026 247 Q CA -0.302 55.626 55.803 0.209 0.000 0.924 247 Q CB 0.517 29.341 28.738 0.144 0.000 1.256 247 Q HN 0.838 nan 8.270 nan 0.000 0.519 248 E N 1.788 122.170 120.200 0.303 0.000 2.108 248 E HA -0.273 4.066 4.350 -0.017 0.000 0.203 248 E C 1.627 178.482 176.600 0.425 0.000 1.022 248 E CA 2.355 58.978 56.400 0.372 0.000 0.823 248 E CB -0.332 29.552 29.700 0.306 0.000 0.744 248 E HN 0.722 nan 8.360 nan 0.000 0.456 249 A N -0.410 122.576 122.820 0.277 0.000 1.986 249 A HA -0.226 4.084 4.320 -0.017 0.000 0.220 249 A C 2.413 180.209 177.584 0.353 0.000 1.171 249 A CA 2.631 54.839 52.037 0.285 0.000 0.640 249 A CB -1.396 17.711 19.000 0.178 0.000 0.811 249 A HN 0.550 nan 8.150 nan 0.000 0.451 250 T N -4.240 110.401 114.554 0.145 0.000 3.007 250 T HA -0.098 4.242 4.350 -0.017 0.000 0.270 250 T C 1.243 175.809 174.700 -0.224 0.000 1.107 250 T CA 1.233 63.289 62.100 -0.074 0.000 1.118 250 T CB -0.561 68.165 68.868 -0.236 0.000 0.889 250 T HN 0.529 nan 8.240 nan 0.000 0.506 251 Y N 0.726 121.044 120.300 0.030 0.000 2.468 251 Y HA 0.342 4.882 4.550 -0.018 0.000 0.268 251 Y C 1.220 177.033 175.900 -0.144 0.000 1.177 251 Y CA -0.663 57.382 58.100 -0.092 0.000 1.265 251 Y CB -0.045 38.247 38.460 -0.281 0.000 1.103 251 Y HN 0.361 nan 8.280 nan 0.000 0.522 252 H N -0.754 118.370 119.070 0.091 0.000 2.573 252 H HA 0.399 4.945 4.556 -0.017 0.000 0.351 252 H C -0.466 174.813 175.328 -0.082 0.000 1.163 252 H CA -0.924 55.099 56.048 -0.042 0.000 1.205 252 H CB 2.311 31.956 29.762 -0.195 0.000 1.605 252 H HN -0.258 nan 8.280 nan 0.000 0.525 253 V N 3.321 123.226 119.914 -0.014 0.000 2.583 253 V HA 0.049 4.159 4.120 -0.017 0.000 0.287 253 V C 0.432 176.416 176.094 -0.184 0.000 1.051 253 V CA -0.150 62.133 62.300 -0.029 0.000 1.010 253 V CB 0.426 32.228 31.823 -0.036 0.000 0.988 253 V HN 0.644 nan 8.190 nan 0.000 0.478 254 H N 3.344 122.401 119.070 -0.021 0.000 2.469 254 H HA 0.481 5.026 4.556 -0.018 0.000 0.342 254 H C -0.540 174.750 175.328 -0.064 0.000 1.115 254 H CA -0.512 55.509 56.048 -0.045 0.000 1.204 254 H CB 2.386 32.103 29.762 -0.075 0.000 1.492 254 H HN 0.693 nan 8.280 nan 0.000 0.499 255 E N 3.659 123.877 120.200 0.030 0.000 2.171 255 E HA 0.344 4.684 4.350 -0.017 0.000 0.271 255 E C -0.713 175.884 176.600 -0.005 0.000 0.916 255 E CA -0.616 55.783 56.400 -0.001 0.000 0.774 255 E CB 1.172 30.863 29.700 -0.014 0.000 1.128 255 E HN 0.429 nan 8.360 nan 0.000 0.403 256 L N 3.079 124.286 121.223 -0.028 0.000 2.431 256 L HA 0.270 4.600 4.340 -0.017 0.000 0.260 256 L C 1.671 178.529 176.870 -0.020 0.000 1.098 256 L CA -0.392 54.428 54.840 -0.032 0.000 0.800 256 L CB 0.774 42.800 42.059 -0.054 0.000 1.210 256 L HN 0.758 nan 8.230 nan 0.000 0.465 257 E N 0.557 120.749 120.200 -0.013 0.000 2.130 257 E HA -0.240 4.100 4.350 -0.017 0.000 0.196 257 E C 1.889 178.480 176.600 -0.016 0.000 0.998 257 E CA 1.711 58.104 56.400 -0.012 0.000 0.806 257 E CB 0.173 29.868 29.700 -0.008 0.000 0.738 257 E HN 0.760 nan 8.360 nan 0.000 0.459 258 S N -1.284 114.405 115.700 -0.017 0.000 2.474 258 S HA 0.000 4.460 4.470 -0.017 0.000 0.235 258 S C 1.660 176.245 174.600 -0.026 0.000 0.997 258 S CA 0.986 59.172 58.200 -0.023 0.000 0.949 258 S CB 0.092 63.276 63.200 -0.026 0.000 0.766 258 S HN 0.554 nan 8.310 nan 0.000 0.517 259 G N 0.121 108.906 108.800 -0.025 0.000 2.213 259 G HA2 -0.219 3.730 3.960 -0.017 0.000 0.226 259 G HA3 -0.219 3.730 3.960 -0.017 0.000 0.226 259 G C -0.099 174.785 174.900 -0.027 0.000 0.992 259 G CA -0.001 45.085 45.100 -0.022 0.000 0.632 259 G HN 0.623 nan 8.290 nan 0.000 0.511 260 L N 1.694 122.891 121.223 -0.042 0.000 2.485 260 L HA 0.602 4.932 4.340 -0.017 0.000 0.275 260 L C 0.905 177.745 176.870 -0.050 0.000 1.207 260 L CA 0.219 55.024 54.840 -0.058 0.000 0.855 260 L CB 0.408 42.411 42.059 -0.092 0.000 1.114 260 L HN 0.302 nan 8.230 nan 0.000 0.485 261 R N 3.325 123.807 120.500 -0.030 0.000 2.604 261 R HA 0.742 5.071 4.340 -0.017 0.000 0.287 261 R C -1.240 175.011 176.300 -0.080 0.000 0.970 261 R CA -0.788 55.294 56.100 -0.029 0.000 0.946 261 R CB 1.922 32.220 30.300 -0.004 0.000 1.127 261 R HN 0.580 nan 8.270 nan 0.000 0.473 262 V N 0.191 120.052 119.914 -0.089 0.000 2.962 262 V HA 0.641 4.750 4.120 -0.017 0.000 0.313 262 V C -0.809 175.250 176.094 -0.058 0.000 1.099 262 V CA -1.075 61.129 62.300 -0.159 0.000 0.971 262 V CB 1.959 33.639 31.823 -0.237 0.000 1.028 262 V HN 0.559 nan 8.190 nan 0.000 0.430 263 L N 3.002 124.182 121.223 -0.072 0.000 2.334 263 L HA 0.943 5.273 4.340 -0.017 0.000 0.273 263 L C 0.369 177.264 176.870 0.041 0.000 1.013 263 L CA -0.748 54.125 54.840 0.054 0.000 0.816 263 L CB 1.927 44.078 42.059 0.152 0.000 1.278 263 L HN 0.985 nan 8.230 nan 0.000 0.431 264 A N 2.024 124.861 122.820 0.027 0.000 2.317 264 A HA 0.555 4.865 4.320 -0.017 0.000 0.327 264 A C -0.281 177.310 177.584 0.013 0.000 1.178 264 A CA -0.637 51.388 52.037 -0.021 0.000 0.817 264 A CB 0.946 19.897 19.000 -0.083 0.000 1.189 264 A HN 0.810 nan 8.150 nan 0.000 0.489 265 R N 2.520 123.053 120.500 0.054 0.000 2.502 265 R HA -0.035 4.295 4.340 -0.017 0.000 0.292 265 R C 0.044 176.376 176.300 0.053 0.000 0.998 265 R CA 0.113 56.276 56.100 0.105 0.000 1.056 265 R CB 0.227 30.654 30.300 0.212 0.000 0.939 265 R HN 0.840 nan 8.270 nan 0.000 0.411 266 N N 5.335 124.066 118.700 0.052 0.000 2.442 266 N HA 0.042 4.772 4.740 -0.017 0.000 0.265 266 N C -1.991 173.594 175.510 0.124 0.000 1.138 266 N CA -1.538 51.527 53.050 0.025 0.000 0.956 266 N CB 1.483 40.005 38.487 0.059 0.000 1.067 266 N HN 0.432 nan 8.380 nan 0.000 0.474 267 P HA -0.068 nan 4.420 nan 0.000 0.215 267 P C 0.584 178.007 177.300 0.205 0.000 1.157 267 P CA 1.316 64.508 63.100 0.154 0.000 0.863 267 P CB 0.378 32.158 31.700 0.133 0.000 0.787 268 E N -0.772 119.556 120.200 0.214 0.000 2.051 268 E HA -0.154 4.185 4.350 -0.017 0.000 0.192 268 E C 2.008 178.794 176.600 0.310 0.000 0.991 268 E CA 2.108 58.653 56.400 0.241 0.000 0.799 268 E CB -1.325 28.502 29.700 0.212 0.000 0.748 268 E HN 0.375 nan 8.360 nan 0.000 0.449 269 T N -2.573 112.197 114.554 0.361 0.000 2.995 269 T HA -0.047 4.293 4.350 -0.017 0.000 0.269 269 T C 1.988 177.092 174.700 0.674 0.000 1.091 269 T CA 1.342 63.795 62.100 0.589 0.000 1.128 269 T CB -0.377 68.907 68.868 0.693 0.000 0.891 269 T HN -0.026 nan 8.240 nan 0.000 0.492 270 T N 2.285 117.129 114.554 0.483 0.000 2.701 270 T HA 0.164 4.503 4.350 -0.017 0.000 0.263 270 T C 1.854 176.810 174.700 0.427 0.000 1.040 270 T CA 1.146 63.548 62.100 0.505 0.000 1.147 270 T CB -0.472 68.594 68.868 0.330 0.000 0.865 270 T HN 0.318 nan 8.240 nan 0.000 0.426 271 L N 0.980 122.372 121.223 0.282 0.000 2.042 271 L HA -0.138 4.192 4.340 -0.017 0.000 0.210 271 L C 2.803 179.701 176.870 0.046 0.000 1.076 271 L CA 1.243 56.167 54.840 0.139 0.000 0.749 271 L CB -0.593 41.581 42.059 0.190 0.000 0.893 271 L HN 0.229 nan 8.230 nan 0.000 0.432 272 Q N -0.029 119.891 119.800 0.199 0.000 2.226 272 Q HA -0.142 4.188 4.340 -0.017 0.000 0.204 272 Q C 1.883 177.660 176.000 -0.372 0.000 0.975 272 Q CA 1.698 57.536 55.803 0.059 0.000 0.866 272 Q CB -0.026 28.881 28.738 0.282 0.000 0.915 272 Q HN 0.379 nan 8.270 nan 0.000 0.440 273 V N -2.015 117.802 119.914 -0.162 0.000 2.672 273 V HA -0.027 4.082 4.120 -0.017 0.000 0.242 273 V C 1.389 177.214 176.094 -0.450 0.000 1.059 273 V CA 1.117 63.164 62.300 -0.421 0.000 1.081 273 V CB -0.453 31.173 31.823 -0.329 0.000 0.752 273 V HN 0.396 nan 8.190 nan 0.000 0.472 274 W N 0.215 121.401 121.300 -0.190 0.000 2.737 274 W HA 0.234 4.885 4.660 -0.015 0.000 0.262 274 W C 1.576 177.915 176.519 -0.301 0.000 1.282 274 W CA 0.374 57.593 57.345 -0.209 0.000 1.386 274 W CB 0.299 29.702 29.460 -0.095 0.000 1.099 274 W HN 0.066 nan 8.180 nan 0.000 0.621 275 S N 1.115 116.705 115.700 -0.185 0.000 2.575 275 S HA 0.109 4.569 4.470 -0.017 0.000 0.295 275 S C 1.291 175.707 174.600 -0.307 0.000 1.267 275 S CA 0.441 58.396 58.200 -0.408 0.000 1.074 275 S CB 1.056 63.592 63.200 -1.108 0.000 0.829 275 S HN 0.235 nan 8.310 nan 0.000 0.497 276 A N 4.329 127.027 122.820 -0.203 0.000 2.121 276 A HA -0.019 4.290 4.320 -0.017 0.000 0.218 276 A C 1.624 179.117 177.584 -0.152 0.000 1.154 276 A CA 1.436 53.386 52.037 -0.145 0.000 0.679 276 A CB -0.227 18.712 19.000 -0.102 0.000 0.795 276 A HN 0.875 nan 8.150 nan 0.000 0.458 277 D N -2.354 117.931 120.400 -0.190 0.000 2.379 277 D HA 0.085 4.715 4.640 -0.017 0.000 0.218 277 D C 0.843 177.132 176.300 -0.018 0.000 1.006 277 D CA 1.160 55.112 54.000 -0.080 0.000 0.893 277 D CB 0.068 40.877 40.800 0.014 0.000 1.019 277 D HN 0.772 nan 8.370 nan 0.000 0.503 278 Y N -1.472 118.757 120.300 -0.119 0.000 2.728 278 Y HA 0.540 5.079 4.550 -0.018 0.000 0.256 278 Y C 0.743 176.480 175.900 -0.271 0.000 1.112 278 Y CA -1.018 56.988 58.100 -0.157 0.000 1.240 278 Y CB -0.147 38.250 38.460 -0.106 0.000 1.337 278 Y HN -0.241 nan 8.280 nan 0.000 0.559 279 G N 0.535 109.088 108.800 -0.412 0.000 2.491 279 G HA2 0.071 4.020 3.960 -0.017 0.000 0.242 279 G HA3 0.071 4.020 3.960 -0.017 0.000 0.242 279 G C 0.082 174.638 174.900 -0.573 0.000 1.266 279 G CA -0.268 44.509 45.100 -0.539 0.000 0.844 279 G HN 0.545 nan 8.290 nan 0.000 0.571 280 Y N 1.686 121.577 120.300 -0.681 0.000 2.151 280 Y HA -0.152 4.389 4.550 -0.016 0.000 0.284 280 Y C 0.250 175.628 175.900 -0.870 0.000 1.166 280 Y CA 1.303 58.859 58.100 -0.907 0.000 1.163 280 Y CB -0.860 36.859 38.460 -1.235 0.000 0.974 280 Y HN 0.420 nan 8.280 nan 0.000 0.511 281 P HA -0.115 nan 4.420 nan 0.000 0.225 281 P C 1.405 178.522 177.300 -0.306 0.000 1.148 281 P CA 1.824 64.288 63.100 -1.059 0.000 0.779 281 P CB -0.223 30.929 31.700 -0.914 0.000 0.780 282 G N -0.560 108.097 108.800 -0.238 0.000 2.985 282 G HA2 -0.077 3.872 3.960 -0.017 0.000 0.209 282 G HA3 -0.077 3.872 3.960 -0.017 0.000 0.209 282 G C 0.375 175.236 174.900 -0.066 0.000 1.165 282 G CA -0.080 44.949 45.100 -0.118 0.000 0.776 282 G HN 0.233 nan 8.290 nan 0.000 0.541 283 E N 0.824 121.016 120.200 -0.012 0.000 2.465 283 E HA 0.279 4.619 4.350 -0.017 0.000 0.260 283 E C 1.708 178.255 176.600 -0.088 0.000 0.980 283 E CA 0.412 56.778 56.400 -0.057 0.000 0.927 283 E CB 0.810 30.466 29.700 -0.072 0.000 0.934 283 E HN -0.039 nan 8.360 nan 0.000 0.459 284 G N 4.126 112.875 108.800 -0.084 0.000 2.462 284 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.220 284 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.220 284 G C 1.197 176.095 174.900 -0.003 0.000 1.121 284 G CA 0.824 45.910 45.100 -0.022 0.000 0.758 284 G HN 0.585 nan 8.290 nan 0.000 0.559 285 L N -0.857 120.299 121.223 -0.112 0.000 2.291 285 L HA 0.159 4.489 4.340 -0.017 0.000 0.214 285 L C 0.944 177.891 176.870 0.128 0.000 1.120 285 L CA -0.162 54.639 54.840 -0.064 0.000 0.799 285 L CB -0.221 41.719 42.059 -0.199 0.000 0.925 285 L HN 0.221 nan 8.230 nan 0.000 0.446 286 Y N 0.078 120.484 120.300 0.177 0.000 2.379 286 Y HA 0.097 4.636 4.550 -0.018 0.000 0.337 286 Y C 1.037 177.055 175.900 0.197 0.000 1.238 286 Y CA -0.872 57.368 58.100 0.233 0.000 1.405 286 Y CB 0.398 38.989 38.460 0.217 0.000 1.310 286 Y HN -0.020 nan 8.280 nan 0.000 0.569 287 R N 2.176 122.825 120.500 0.247 0.000 2.522 287 R HA -0.034 4.295 4.340 -0.017 0.000 0.284 287 R C -0.500 175.800 176.300 -0.000 0.000 1.032 287 R CA -0.395 55.565 56.100 -0.232 0.000 1.049 287 R CB 0.345 30.214 30.300 -0.719 0.000 0.956 287 R HN 0.563 nan 8.270 nan 0.000 0.422 288 E N 4.233 124.434 120.200 0.002 0.000 2.257 288 E HA -0.057 4.282 4.350 -0.017 0.000 0.278 288 E C -0.169 176.364 176.600 -0.111 0.000 1.049 288 E CA 0.102 56.526 56.400 0.040 0.000 0.876 288 E CB 0.419 30.179 29.700 0.099 0.000 1.035 288 E HN 0.594 nan 8.360 nan 0.000 0.419 289 F N 4.395 124.188 119.950 -0.262 0.000 2.206 289 F HA -0.092 4.425 4.527 -0.018 0.000 0.298 289 F C 1.392 176.752 175.800 -0.735 0.000 1.090 289 F CA 1.384 59.069 58.000 -0.525 0.000 1.323 289 F CB 0.332 39.034 39.000 -0.497 0.000 1.028 289 F HN 0.655 nan 8.300 nan 0.000 0.492 290 H N -0.695 118.368 119.070 -0.011 0.000 2.539 290 H HA 0.220 4.766 4.556 -0.017 0.000 0.269 290 H C 0.345 175.603 175.328 -0.116 0.000 0.980 290 H CA 0.058 56.114 56.048 0.014 0.000 1.152 290 H CB -0.090 29.734 29.762 0.104 0.000 1.407 290 H HN 0.133 nan 8.280 nan 0.000 0.564 291 R N 2.028 122.444 120.500 -0.140 0.000 2.295 291 R HA 0.190 4.520 4.340 -0.017 0.000 0.324 291 R C -0.617 175.605 176.300 -0.131 0.000 0.968 291 R CA -0.564 55.436 56.100 -0.168 0.000 0.837 291 R CB 0.694 30.850 30.300 -0.241 0.000 1.133 291 R HN -0.079 nan 8.270 nan 0.000 0.450 292 K N 2.659 123.017 120.400 -0.069 0.000 2.203 292 K HA 0.169 4.478 4.320 -0.017 0.000 0.251 292 K C -0.796 175.915 176.600 0.185 0.000 0.944 292 K CA -0.834 55.521 56.287 0.113 0.000 0.829 292 K CB 1.704 34.255 32.500 0.084 0.000 1.125 292 K HN 0.638 nan 8.250 nan 0.000 0.430 293 D N 2.424 123.047 120.400 0.371 0.000 2.424 293 D HA 0.043 4.673 4.640 -0.017 0.000 0.244 293 D C -1.601 174.821 176.300 0.205 0.000 1.134 293 D CA -1.397 52.870 54.000 0.446 0.000 0.881 293 D CB 1.260 42.360 40.800 0.500 0.000 1.191 293 D HN 0.076 nan 8.370 nan 0.000 0.445 294 P HA -0.031 nan 4.420 nan 0.000 0.222 294 P C 1.218 178.549 177.300 0.051 0.000 1.147 294 P CA 0.805 63.950 63.100 0.077 0.000 0.790 294 P CB 0.335 32.075 31.700 0.067 0.000 0.780 295 L N -1.601 119.667 121.223 0.076 0.000 2.316 295 L HA 0.071 4.400 4.340 -0.017 0.000 0.207 295 L C 2.084 178.945 176.870 -0.015 0.000 1.070 295 L CA 1.481 56.330 54.840 0.016 0.000 0.820 295 L CB -0.554 41.506 42.059 0.001 0.000 0.992 295 L HN 0.050 nan 8.230 nan 0.000 0.466 296 S N -1.488 114.225 115.700 0.022 0.000 2.520 296 S HA 0.210 4.670 4.470 -0.017 0.000 0.219 296 S C 1.543 176.098 174.600 -0.074 0.000 1.028 296 S CA 0.484 58.662 58.200 -0.036 0.000 0.921 296 S CB 0.972 64.177 63.200 0.008 0.000 0.844 296 S HN 0.432 nan 8.310 nan 0.000 0.495 297 G N 1.499 110.290 108.800 -0.015 0.000 2.189 297 G HA2 -0.240 3.709 3.960 -0.017 0.000 0.267 297 G HA3 -0.240 3.709 3.960 -0.017 0.000 0.267 297 G C 0.032 174.919 174.900 -0.021 0.000 0.975 297 G CA 0.596 45.680 45.100 -0.027 0.000 0.644 297 G HN 0.557 nan 8.290 nan 0.000 0.537 298 L N -0.009 121.182 121.223 -0.053 0.000 2.466 298 L HA 0.402 4.731 4.340 -0.017 0.000 0.257 298 L C 0.805 177.578 176.870 -0.163 0.000 1.189 298 L CA -0.701 54.001 54.840 -0.229 0.000 0.813 298 L CB 0.487 42.362 42.059 -0.306 0.000 1.118 298 L HN 0.237 nan 8.230 nan 0.000 0.471 299 H N 1.579 120.364 119.070 -0.475 0.000 2.641 299 H HA 0.215 4.761 4.556 -0.017 0.000 0.295 299 H C -0.337 174.661 175.328 -0.549 0.000 1.070 299 H CA -0.597 55.229 56.048 -0.370 0.000 1.257 299 H CB 0.778 30.276 29.762 -0.440 0.000 1.393 299 H HN 0.474 nan 8.280 nan 0.000 0.464 300 H N 2.692 121.594 119.070 -0.280 0.000 2.674 300 H HA 0.061 4.606 4.556 -0.018 0.000 0.274 300 H C -0.287 174.510 175.328 -0.886 0.000 1.121 300 H CA 0.048 55.631 56.048 -0.775 0.000 1.132 300 H CB 0.540 29.494 29.762 -1.346 0.000 1.606 300 H HN 0.658 nan 8.280 nan 0.000 0.558 301 W N 2.055 123.398 121.300 0.072 0.000 2.799 301 W HA 0.394 5.045 4.660 -0.015 0.000 0.349 301 W C 0.486 177.044 176.519 0.065 0.000 1.100 301 W CA -0.851 56.541 57.345 0.079 0.000 1.174 301 W CB 1.822 31.297 29.460 0.027 0.000 1.427 301 W HN -0.022 nan 8.180 nan 0.000 0.547 302 R N -0.495 120.208 120.500 0.338 0.000 2.720 302 R HA 0.566 4.896 4.340 -0.017 0.000 0.272 302 R C 0.339 176.766 176.300 0.212 0.000 0.991 302 R CA -0.724 55.545 56.100 0.281 0.000 1.010 302 R CB 1.127 31.622 30.300 0.325 0.000 1.141 302 R HN 0.218 nan 8.270 nan 0.000 0.494 303 V N 1.170 121.190 119.914 0.178 0.000 2.324 303 V HA -0.321 3.789 4.120 -0.017 0.000 0.250 303 V C 1.103 177.271 176.094 0.122 0.000 1.060 303 V CA 2.693 65.074 62.300 0.135 0.000 1.042 303 V CB -1.000 30.891 31.823 0.112 0.000 0.650 303 V HN 1.166 nan 8.190 nan 0.000 0.450 304 T N -2.812 111.812 114.554 0.117 0.000 13.097 304 T HA -0.333 4.007 4.350 -0.017 0.000 0.418 304 T C 0.408 175.194 174.700 0.143 0.000 1.446 304 T CA 1.840 64.012 62.100 0.119 0.000 2.371 304 T CB -0.751 68.194 68.868 0.128 0.000 2.810 304 T HN 0.731 nan 8.240 nan 0.000 0.655 305 H N 0.577 119.669 119.070 0.036 0.000 3.046 305 H HA 0.493 5.039 4.556 -0.017 0.000 0.363 305 H C 0.824 176.165 175.328 0.022 0.000 1.203 305 H CA -0.655 55.407 56.048 0.023 0.000 1.169 305 H CB 1.341 31.113 29.762 0.016 0.000 1.851 305 H HN 0.199 nan 8.280 nan 0.000 0.546 306 R N 1.481 121.841 120.500 -0.234 0.000 2.127 306 R HA -0.134 4.196 4.340 -0.017 0.000 0.238 306 R C 0.852 177.217 176.300 0.108 0.000 1.134 306 R CA 1.601 57.665 56.100 -0.059 0.000 0.975 306 R CB 0.205 30.419 30.300 -0.145 0.000 0.865 306 R HN 0.317 nan 8.270 nan 0.000 0.447 307 K N -0.179 120.431 120.400 0.350 0.000 2.404 307 K HA 0.179 4.488 4.320 -0.017 0.000 0.194 307 K C -0.017 176.656 176.600 0.122 0.000 1.023 307 K CA 0.005 56.418 56.287 0.210 0.000 1.094 307 K CB 0.929 33.539 32.500 0.183 0.000 0.841 307 K HN 0.106 nan 8.250 nan 0.000 0.523 308 A N 1.521 124.429 122.820 0.147 0.000 2.477 308 A HA 0.065 4.374 4.320 -0.017 0.000 0.246 308 A C -0.372 177.232 177.584 0.034 0.000 1.078 308 A CA -0.348 51.731 52.037 0.071 0.000 0.770 308 A CB 0.141 19.198 19.000 0.095 0.000 1.011 308 A HN 0.156 nan 8.150 nan 0.000 0.494 309 D N 1.370 121.773 120.400 0.004 0.000 2.368 309 D HA 0.112 4.742 4.640 -0.017 0.000 0.240 309 D C 1.560 177.845 176.300 -0.025 0.000 1.169 309 D CA -0.190 53.801 54.000 -0.015 0.000 0.906 309 D CB 0.605 41.389 40.800 -0.027 0.000 1.187 309 D HN 0.459 nan 8.370 nan 0.000 0.435 310 L N 0.968 122.164 121.223 -0.046 0.000 2.042 310 L HA -0.242 4.087 4.340 -0.017 0.000 0.210 310 L C 2.313 179.098 176.870 -0.142 0.000 1.076 310 L CA 1.580 56.368 54.840 -0.087 0.000 0.749 310 L CB -0.427 41.570 42.059 -0.103 0.000 0.893 310 L HN 0.425 nan 8.230 nan 0.000 0.432 311 A N -0.395 122.356 122.820 -0.116 0.000 2.067 311 A HA -0.162 4.148 4.320 -0.017 0.000 0.219 311 A C 1.962 179.494 177.584 -0.087 0.000 1.158 311 A CA 1.223 53.186 52.037 -0.124 0.000 0.661 311 A CB -0.322 18.627 19.000 -0.086 0.000 0.801 311 A HN 0.494 nan 8.150 nan 0.000 0.452 312 E N 0.103 120.273 120.200 -0.051 0.000 2.479 312 E HA 0.018 4.358 4.350 -0.017 0.000 0.193 312 E C -0.213 176.400 176.600 0.022 0.000 1.049 312 E CA -0.137 56.256 56.400 -0.012 0.000 0.870 312 E CB 0.208 29.906 29.700 -0.004 0.000 0.944 312 E HN 0.306 nan 8.360 nan 0.000 0.492 313 K N 1.541 121.946 120.400 0.008 0.000 2.368 313 K HA 0.253 4.563 4.320 -0.017 0.000 0.282 313 K C 0.009 176.729 176.600 0.201 0.000 1.035 313 K CA -0.083 56.260 56.287 0.093 0.000 0.973 313 K CB 1.097 33.644 32.500 0.078 0.000 0.957 313 K HN -0.012 nan 8.250 nan 0.000 0.474 314 A N 5.439 128.391 122.820 0.221 0.000 2.332 314 A HA 0.393 4.703 4.320 -0.017 0.000 0.258 314 A C -2.170 175.599 177.584 0.308 0.000 1.087 314 A CA -1.429 50.746 52.037 0.229 0.000 0.802 314 A CB -0.175 18.906 19.000 0.136 0.000 1.042 314 A HN 0.379 nan 8.150 nan 0.000 0.489 315 P HA -0.006 nan 4.420 nan 0.000 0.265 315 P C -0.853 176.479 177.300 0.054 0.000 1.187 315 P CA 0.493 63.591 63.100 -0.004 0.000 0.766 315 P CB 0.085 31.747 31.700 -0.063 0.000 0.820 316 Y N 2.998 123.213 120.300 -0.141 0.000 2.377 316 Y HA 0.207 4.746 4.550 -0.018 0.000 0.330 316 Y C 0.159 176.031 175.900 -0.047 0.000 1.108 316 Y CA -0.528 57.538 58.100 -0.056 0.000 1.308 316 Y CB 0.167 38.590 38.460 -0.062 0.000 1.216 316 Y HN 0.256 nan 8.280 nan 0.000 0.518 317 D N 8.587 128.689 120.400 -0.496 0.000 2.460 317 D HA 0.323 4.953 4.640 -0.017 0.000 0.232 317 D C -2.279 173.544 176.300 -0.794 0.000 1.079 317 D CA -2.663 51.051 54.000 -0.477 0.000 0.864 317 D CB 1.772 42.441 40.800 -0.219 0.000 1.048 317 D HN 0.284 nan 8.370 nan 0.000 0.523 318 P HA -0.104 nan 4.420 nan 0.000 0.217 318 P C 1.201 178.450 177.300 -0.084 0.000 1.150 318 P CA 0.808 63.548 63.100 -0.601 0.000 0.832 318 P CB 0.481 31.864 31.700 -0.528 0.000 0.787 319 E N -0.373 119.782 120.200 -0.075 0.000 2.023 319 E HA -0.217 4.123 4.350 -0.017 0.000 0.196 319 E C 2.044 178.661 176.600 0.029 0.000 1.003 319 E CA 1.586 57.997 56.400 0.018 0.000 0.809 319 E CB -0.548 29.146 29.700 -0.009 0.000 0.755 319 E HN 0.097 nan 8.360 nan 0.000 0.449 320 A N 1.148 123.942 122.820 -0.044 0.000 1.933 320 A HA -0.116 4.193 4.320 -0.017 0.000 0.218 320 A C 2.328 179.896 177.584 -0.027 0.000 1.175 320 A CA 1.830 53.842 52.037 -0.042 0.000 0.628 320 A CB -0.537 18.419 19.000 -0.072 0.000 0.814 320 A HN 0.332 nan 8.150 nan 0.000 0.444 321 A N -1.023 121.779 122.820 -0.031 0.000 1.877 321 A HA 0.003 4.312 4.320 -0.017 0.000 0.216 321 A C 1.966 179.599 177.584 0.081 0.000 1.186 321 A CA 1.490 53.559 52.037 0.053 0.000 0.620 321 A CB -0.788 18.317 19.000 0.175 0.000 0.822 321 A HN 0.465 nan 8.150 nan 0.000 0.443 322 F N 0.208 120.231 119.950 0.121 0.000 2.171 322 F HA -0.078 4.443 4.527 -0.010 0.000 0.300 322 F C 2.763 178.609 175.800 0.077 0.000 1.090 322 F CA 0.988 59.044 58.000 0.092 0.000 1.293 322 F CB -0.291 38.727 39.000 0.029 0.000 1.013 322 F HN 0.263 nan 8.300 nan 0.000 0.486 323 A N -0.245 122.686 122.820 0.185 0.000 1.933 323 A HA -0.242 4.067 4.320 -0.017 0.000 0.218 323 A C 2.098 179.717 177.584 0.058 0.000 1.175 323 A CA 1.788 53.884 52.037 0.099 0.000 0.628 323 A CB -0.607 18.423 19.000 0.050 0.000 0.814 323 A HN 0.225 nan 8.150 nan 0.000 0.444 324 K N 0.411 120.825 120.400 0.023 0.000 2.152 324 K HA -0.137 4.172 4.320 -0.017 0.000 0.206 324 K C 2.007 178.604 176.600 -0.006 0.000 1.048 324 K CA 2.184 58.415 56.287 -0.094 0.000 0.933 324 K CB -0.893 31.436 32.500 -0.285 0.000 0.721 324 K HN 0.616 nan 8.250 nan 0.000 0.447 325 T N -1.309 113.374 114.554 0.216 0.000 2.849 325 T HA -0.128 4.212 4.350 -0.017 0.000 0.270 325 T C 1.496 176.345 174.700 0.249 0.000 1.066 325 T CA 1.135 63.435 62.100 0.333 0.000 1.130 325 T CB -0.253 68.773 68.868 0.265 0.000 0.864 325 T HN 0.199 nan 8.240 nan 0.000 0.481 326 E N 1.226 121.504 120.200 0.130 0.000 2.072 326 E HA -0.128 4.211 4.350 -0.017 0.000 0.191 326 E C 2.187 178.846 176.600 0.099 0.000 0.985 326 E CA 1.330 57.784 56.400 0.090 0.000 0.801 326 E CB -0.295 29.439 29.700 0.056 0.000 0.750 326 E HN 0.811 nan 8.360 nan 0.000 0.452 327 E N 0.320 120.557 120.200 0.061 0.000 2.072 327 E HA -0.190 4.149 4.350 -0.017 0.000 0.191 327 E C 1.849 178.567 176.600 0.197 0.000 0.985 327 E CA 0.940 57.384 56.400 0.073 0.000 0.801 327 E CB -0.079 29.605 29.700 -0.026 0.000 0.750 327 E HN 0.463 nan 8.360 nan 0.000 0.452 328 H N -0.773 118.376 119.070 0.131 0.000 2.423 328 H HA -0.028 4.518 4.556 -0.017 0.000 0.297 328 H C 2.041 177.532 175.328 0.272 0.000 1.075 328 H CA 0.509 56.559 56.048 0.003 0.000 1.342 328 H CB 0.140 29.715 29.762 -0.312 0.000 1.395 328 H HN 0.282 nan 8.280 nan 0.000 0.530 329 A N 1.302 124.369 122.820 0.412 0.000 1.877 329 A HA -0.166 4.143 4.320 -0.017 0.000 0.216 329 A C 2.261 179.969 177.584 0.207 0.000 1.186 329 A CA 1.174 53.306 52.037 0.158 0.000 0.620 329 A CB -0.309 18.635 19.000 -0.093 0.000 0.822 329 A HN 0.303 nan 8.150 nan 0.000 0.443 330 R N -1.519 119.097 120.500 0.193 0.000 2.081 330 R HA -0.151 4.179 4.340 -0.017 0.000 0.235 330 R C 2.316 178.759 176.300 0.239 0.000 1.131 330 R CA 1.404 57.604 56.100 0.168 0.000 0.960 330 R CB -0.563 29.817 30.300 0.134 0.000 0.856 330 R HN 0.788 nan 8.270 nan 0.000 0.436 331 H N -0.102 119.124 119.070 0.259 0.000 2.353 331 H HA -0.172 4.373 4.556 -0.018 0.000 0.300 331 H C 1.884 177.452 175.328 0.399 0.000 1.090 331 H CA 1.804 58.043 56.048 0.317 0.000 1.327 331 H CB -0.137 29.870 29.762 0.409 0.000 1.383 331 H HN 0.134 nan 8.280 nan 0.000 0.508 332 F N 1.092 121.307 119.950 0.442 0.000 2.134 332 F HA -0.167 4.350 4.527 -0.017 0.000 0.299 332 F C 2.504 178.392 175.800 0.147 0.000 1.097 332 F CA 1.260 59.523 58.000 0.439 0.000 1.264 332 F CB -0.592 38.832 39.000 0.707 0.000 1.001 332 F HN -0.050 nan 8.300 nan 0.000 0.479 333 V N 0.294 120.291 119.914 0.139 0.000 2.407 333 V HA -0.237 3.873 4.120 -0.017 0.000 0.248 333 V C 2.735 178.767 176.094 -0.103 0.000 1.055 333 V CA 1.821 64.082 62.300 -0.065 0.000 1.049 333 V CB -1.621 30.190 31.823 -0.019 0.000 0.662 333 V HN 0.551 nan 8.190 nan 0.000 0.455 334 G N 0.088 108.854 108.800 -0.057 0.000 2.440 334 G HA2 -0.283 3.666 3.960 -0.017 0.000 0.218 334 G HA3 -0.283 3.666 3.960 -0.017 0.000 0.218 334 G C 1.576 176.398 174.900 -0.129 0.000 1.154 334 G CA 1.252 46.302 45.100 -0.084 0.000 0.767 334 G HN 0.467 nan 8.290 nan 0.000 0.552 335 L N 0.636 121.747 121.223 -0.186 0.000 2.017 335 L HA 0.050 4.379 4.340 -0.017 0.000 0.208 335 L C 2.714 179.484 176.870 -0.167 0.000 1.073 335 L CA 1.452 56.190 54.840 -0.170 0.000 0.745 335 L CB -0.573 41.384 42.059 -0.170 0.000 0.894 335 L HN 0.233 nan 8.230 nan 0.000 0.432 336 L N -0.617 120.434 121.223 -0.287 0.000 2.042 336 L HA -0.241 4.089 4.340 -0.017 0.000 0.210 336 L C 2.551 179.365 176.870 -0.092 0.000 1.076 336 L CA 1.717 56.427 54.840 -0.217 0.000 0.749 336 L CB -0.761 41.080 42.059 -0.363 0.000 0.893 336 L HN 0.379 nan 8.230 nan 0.000 0.432 337 E N -0.218 119.925 120.200 -0.094 0.000 2.077 337 E HA -0.254 4.085 4.350 -0.017 0.000 0.193 337 E C 2.309 178.886 176.600 -0.038 0.000 0.989 337 E CA 0.993 57.362 56.400 -0.053 0.000 0.800 337 E CB -0.088 29.583 29.700 -0.049 0.000 0.746 337 E HN 0.328 nan 8.360 nan 0.000 0.452 338 R N 0.832 121.307 120.500 -0.042 0.000 2.081 338 R HA -0.119 4.210 4.340 -0.017 0.000 0.235 338 R C 2.307 178.599 176.300 -0.013 0.000 1.131 338 R CA 0.943 57.026 56.100 -0.029 0.000 0.960 338 R CB -0.124 30.160 30.300 -0.026 0.000 0.856 338 R HN 0.155 nan 8.270 nan 0.000 0.436 339 L N 0.161 121.399 121.223 0.025 0.000 2.046 339 L HA -0.109 4.221 4.340 -0.017 0.000 0.208 339 L C 2.716 179.611 176.870 0.040 0.000 1.077 339 L CA 1.259 56.155 54.840 0.093 0.000 0.747 339 L CB -0.614 41.572 42.059 0.212 0.000 0.896 339 L HN 0.310 nan 8.230 nan 0.000 0.432 340 A N 0.449 123.287 122.820 0.030 0.000 1.933 340 A HA -0.125 4.185 4.320 -0.017 0.000 0.218 340 A C 2.394 179.952 177.584 -0.043 0.000 1.175 340 A CA 1.727 53.772 52.037 0.013 0.000 0.628 340 A CB -1.139 17.872 19.000 0.018 0.000 0.814 340 A HN 0.452 nan 8.150 nan 0.000 0.444 341 G N -0.838 107.926 108.800 -0.061 0.000 2.422 341 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.218 341 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.218 341 G C 1.756 176.560 174.900 -0.161 0.000 1.140 341 G CA 0.762 45.811 45.100 -0.086 0.000 0.775 341 G HN 0.554 nan 8.290 nan 0.000 0.545 342 R N -0.677 119.680 120.500 -0.238 0.000 2.153 342 R HA 0.053 4.383 4.340 -0.017 0.000 0.218 342 R C 0.128 175.904 176.300 -0.873 0.000 1.072 342 R CA 0.684 56.485 56.100 -0.499 0.000 0.990 342 R CB 0.073 30.072 30.300 -0.501 0.000 0.889 342 R HN 0.353 nan 8.270 nan 0.000 0.452 343 H N -0.100 118.806 119.070 -0.273 0.000 2.448 343 H HA 0.265 4.810 4.556 -0.018 0.000 0.237 343 H C -2.497 172.734 175.328 -0.161 0.000 1.391 343 H CA -2.555 53.309 56.048 -0.306 0.000 1.477 343 H CB 0.973 30.318 29.762 -0.695 0.000 1.520 343 H HN -0.076 nan 8.280 nan 0.000 0.502 344 P HA -0.053 nan 4.420 nan 0.000 0.261 344 P C 0.418 177.712 177.300 -0.010 0.000 1.183 344 P CA 0.617 63.698 63.100 -0.032 0.000 0.761 344 P CB 0.433 32.111 31.700 -0.038 0.000 0.785 345 E N -0.407 119.797 120.200 0.006 0.000 3.065 345 E HA -0.217 4.123 4.350 -0.017 0.000 0.277 345 E C 0.874 177.482 176.600 0.013 0.000 1.008 345 E CA 0.670 57.078 56.400 0.013 0.000 0.864 345 E CB -1.951 27.751 29.700 0.002 0.000 1.439 345 E HN 0.679 nan 8.360 nan 0.000 0.445 346 G N 0.172 108.993 108.800 0.034 0.000 2.621 346 G HA2 0.454 4.404 3.960 -0.017 0.000 0.271 346 G HA3 0.454 4.404 3.960 -0.017 0.000 0.271 346 G C -0.050 174.924 174.900 0.124 0.000 1.236 346 G CA -0.371 44.762 45.100 0.056 0.000 0.958 346 G HN 0.047 nan 8.290 nan 0.000 0.512 347 V N 0.429 120.429 119.914 0.145 0.000 2.417 347 V HA 0.367 4.477 4.120 -0.017 0.000 0.291 347 V C -0.170 176.025 176.094 0.168 0.000 1.024 347 V CA -0.386 61.996 62.300 0.136 0.000 0.861 347 V CB 1.381 33.246 31.823 0.069 0.000 0.985 347 V HN 0.498 nan 8.190 nan 0.000 0.436 348 I N 5.920 126.614 120.570 0.208 0.000 2.359 348 I HA 0.354 4.514 4.170 -0.017 0.000 0.284 348 I C -0.568 175.633 176.117 0.140 0.000 1.018 348 I CA -0.504 60.925 61.300 0.215 0.000 1.173 348 I CB 1.490 39.729 38.000 0.399 0.000 1.326 348 I HN 0.415 nan 8.210 nan 0.000 0.462 349 L N 6.396 127.659 121.223 0.068 0.000 2.264 349 L HA 0.453 4.783 4.340 -0.017 0.000 0.289 349 L C -0.200 176.715 176.870 0.075 0.000 1.044 349 L CA 0.598 55.465 54.840 0.045 0.000 0.807 349 L CB 1.229 43.341 42.059 0.088 0.000 1.192 349 L HN 0.458 nan 8.230 nan 0.000 0.425 350 S N 7.163 122.879 115.700 0.027 0.000 2.532 350 S HA 0.515 4.974 4.470 -0.017 0.000 0.256 350 S C -2.680 171.837 174.600 -0.139 0.000 1.298 350 S CA -0.815 57.434 58.200 0.082 0.000 1.166 350 S CB 0.878 64.409 63.200 0.552 0.000 1.022 350 S HN 0.526 nan 8.310 nan 0.000 0.480 351 P HA 0.614 nan 4.420 nan 0.000 0.305 351 P C -1.624 175.717 177.300 0.069 0.000 1.378 351 P CA -0.603 62.518 63.100 0.035 0.000 0.926 351 P CB 1.020 32.891 31.700 0.285 0.000 1.051 352 Y N -0.471 120.174 120.300 0.575 0.000 2.534 352 Y HA 0.278 4.818 4.550 -0.017 0.000 0.345 352 Y C 0.350 176.596 175.900 0.576 0.000 1.031 352 Y CA -0.933 57.581 58.100 0.690 0.000 1.022 352 Y CB 1.246 40.105 38.460 0.664 0.000 1.292 352 Y HN 0.211 nan 8.280 nan 0.000 0.459 353 D N 1.178 122.079 120.400 0.835 0.000 2.493 353 D HA 0.131 4.761 4.640 -0.017 0.000 0.240 353 D C 0.820 177.393 176.300 0.455 0.000 1.142 353 D CA 0.465 54.815 54.000 0.583 0.000 0.872 353 D CB 1.562 42.720 40.800 0.597 0.000 1.173 353 D HN 0.792 nan 8.370 nan 0.000 0.467 354 A N 3.428 126.442 122.820 0.323 0.000 1.930 354 A HA -0.191 4.118 4.320 -0.017 0.000 0.217 354 A C 1.719 179.523 177.584 0.366 0.000 1.175 354 A CA 1.162 53.430 52.037 0.384 0.000 0.627 354 A CB -0.200 18.972 19.000 0.286 0.000 0.815 354 A HN 0.472 nan 8.150 nan 0.000 0.443 355 E N -0.386 119.990 120.200 0.293 0.000 2.418 355 E HA -0.045 4.295 4.350 -0.017 0.000 0.197 355 E C 1.602 178.382 176.600 0.300 0.000 1.026 355 E CA 0.335 56.879 56.400 0.240 0.000 0.862 355 E CB -0.326 29.499 29.700 0.209 0.000 0.799 355 E HN 0.520 nan 8.360 nan 0.000 0.518 356 L N 0.062 121.408 121.223 0.206 0.000 2.043 356 L HA -0.121 4.208 4.340 -0.017 0.000 0.212 356 L C 0.125 176.815 176.870 -0.300 0.000 1.075 356 L CA 1.572 56.320 54.840 -0.153 0.000 0.752 356 L CB -0.287 41.298 42.059 -0.789 0.000 0.891 356 L HN -0.036 nan 8.230 nan 0.000 0.432 357 F N -0.172 119.818 119.950 0.066 0.000 2.424 357 F HA 0.503 5.020 4.527 -0.017 0.000 0.356 357 F C 1.527 177.307 175.800 -0.033 0.000 1.110 357 F CA 0.223 58.193 58.000 -0.050 0.000 1.161 357 F CB 0.747 39.704 39.000 -0.072 0.000 1.115 357 F HN 0.195 nan 8.300 nan 0.000 0.507 358 G N 1.714 110.535 108.800 0.036 0.000 2.358 358 G HA2 -0.385 3.564 3.960 -0.017 0.000 0.224 358 G HA3 -0.385 3.564 3.960 -0.017 0.000 0.224 358 G C 0.867 175.871 174.900 0.174 0.000 1.073 358 G CA 0.731 45.867 45.100 0.059 0.000 0.635 358 G HN 0.675 nan 8.290 nan 0.000 0.509 359 H N -0.605 118.464 119.070 -0.001 0.000 2.276 359 H HA 0.259 4.804 4.556 -0.018 0.000 0.324 359 H C 2.366 177.643 175.328 -0.086 0.000 1.093 359 H CA 1.986 57.966 56.048 -0.113 0.000 1.539 359 H CB -0.490 29.059 29.762 -0.355 0.000 1.479 359 H HN 0.437 nan 8.280 nan 0.000 0.582 360 W N -0.752 120.421 121.300 -0.212 0.000 2.355 360 W HA -0.099 4.551 4.660 -0.016 0.000 0.309 360 W C 0.455 176.949 176.519 -0.042 0.000 1.206 360 W CA 0.455 57.581 57.345 -0.365 0.000 1.284 360 W CB -0.295 28.959 29.460 -0.342 0.000 1.145 360 W HN 0.258 nan 8.180 nan 0.000 0.502 361 W N 1.474 122.744 121.300 -0.049 0.000 2.295 361 W HA 0.177 4.828 4.660 -0.014 0.000 0.333 361 W C 0.848 177.315 176.519 -0.087 0.000 0.990 361 W CA -2.180 55.075 57.345 -0.151 0.000 1.453 361 W CB -0.517 28.734 29.460 -0.349 0.000 1.263 361 W HN 0.039 nan 8.180 nan 0.000 0.380 362 Y N 3.412 123.702 120.300 -0.017 0.000 2.207 362 Y HA -0.224 4.316 4.550 -0.017 0.000 0.287 362 Y C 1.442 177.155 175.900 -0.313 0.000 1.156 362 Y CA 2.502 60.522 58.100 -0.135 0.000 1.182 362 Y CB -0.068 38.321 38.460 -0.118 0.000 0.979 362 Y HN 0.399 nan 8.280 nan 0.000 0.521 363 E N -0.561 119.131 120.200 -0.846 0.000 2.494 363 E HA 0.114 4.454 4.350 -0.017 0.000 0.193 363 E C 2.160 178.021 176.600 -1.232 0.000 1.074 363 E CA 0.561 56.269 56.400 -1.153 0.000 0.867 363 E CB -0.409 28.583 29.700 -1.180 0.000 0.924 363 E HN 0.553 nan 8.360 nan 0.000 0.502 364 G N 0.338 108.230 108.800 -1.514 0.000 2.422 364 G HA2 -0.195 3.755 3.960 -0.017 0.000 0.218 364 G HA3 -0.195 3.755 3.960 -0.017 0.000 0.218 364 G C 1.573 176.224 174.900 -0.416 0.000 1.140 364 G CA 0.464 44.714 45.100 -1.416 0.000 0.775 364 G HN 0.225 nan 8.290 nan 0.000 0.545 365 V N 1.436 121.203 119.914 -0.245 0.000 2.427 365 V HA -0.088 4.022 4.120 -0.017 0.000 0.248 365 V C 3.282 179.295 176.094 -0.136 0.000 1.051 365 V CA 1.796 64.019 62.300 -0.128 0.000 1.048 365 V CB -0.715 31.090 31.823 -0.031 0.000 0.666 365 V HN 0.447 nan 8.190 nan 0.000 0.456 366 A N -0.666 122.096 122.820 -0.097 0.000 1.908 366 A HA -0.294 4.015 4.320 -0.017 0.000 0.218 366 A C 1.955 179.505 177.584 -0.058 0.000 1.181 366 A CA 2.025 54.053 52.037 -0.014 0.000 0.627 366 A CB -0.930 18.193 19.000 0.206 0.000 0.818 366 A HN 0.748 nan 8.150 nan 0.000 0.445 367 W N 0.695 121.787 121.300 -0.347 0.000 2.335 367 W HA -0.182 4.468 4.660 -0.017 0.000 0.311 367 W C 1.754 178.104 176.519 -0.281 0.000 1.213 367 W CA 1.983 59.147 57.345 -0.302 0.000 1.274 367 W CB -0.377 28.818 29.460 -0.442 0.000 1.148 367 W HN 0.259 nan 8.180 nan 0.000 0.498 368 L N 0.351 121.355 121.223 -0.365 0.000 2.012 368 L HA -0.258 4.071 4.340 -0.017 0.000 0.210 368 L C 2.600 179.187 176.870 -0.472 0.000 1.073 368 L CA 2.156 56.629 54.840 -0.611 0.000 0.748 368 L CB -1.120 40.597 42.059 -0.568 0.000 0.891 368 L HN 0.118 nan 8.230 nan 0.000 0.431 369 E N 0.225 120.248 120.200 -0.294 0.000 2.077 369 E HA -0.256 4.084 4.350 -0.017 0.000 0.193 369 E C 2.195 178.680 176.600 -0.192 0.000 0.989 369 E CA 1.260 57.545 56.400 -0.191 0.000 0.800 369 E CB -0.010 29.624 29.700 -0.111 0.000 0.746 369 E HN 0.462 nan 8.360 nan 0.000 0.452 370 A N 0.421 123.110 122.820 -0.218 0.000 1.898 370 A HA -0.122 4.188 4.320 -0.017 0.000 0.216 370 A C 2.407 179.843 177.584 -0.248 0.000 1.181 370 A CA 1.377 53.304 52.037 -0.184 0.000 0.620 370 A CB -0.644 18.277 19.000 -0.132 0.000 0.819 370 A HN 0.229 nan 8.150 nan 0.000 0.442 371 V N 0.155 119.798 119.914 -0.451 0.000 2.295 371 V HA -0.274 3.836 4.120 -0.017 0.000 0.246 371 V C 2.585 178.541 176.094 -0.230 0.000 1.049 371 V CA 2.061 64.108 62.300 -0.423 0.000 1.024 371 V CB -0.775 30.581 31.823 -0.777 0.000 0.648 371 V HN 0.574 nan 8.190 nan 0.000 0.447 372 L N -0.703 120.394 121.223 -0.210 0.000 2.046 372 L HA -0.179 4.151 4.340 -0.017 0.000 0.208 372 L C 2.765 179.611 176.870 -0.040 0.000 1.077 372 L CA 1.676 56.471 54.840 -0.076 0.000 0.747 372 L CB -0.584 41.440 42.059 -0.058 0.000 0.896 372 L HN 0.224 nan 8.230 nan 0.000 0.432 373 R N -0.127 120.335 120.500 -0.064 0.000 2.096 373 R HA -0.119 4.211 4.340 -0.017 0.000 0.235 373 R C 2.299 178.581 176.300 -0.031 0.000 1.127 373 R CA 1.119 57.197 56.100 -0.036 0.000 0.968 373 R CB -0.363 29.912 30.300 -0.041 0.000 0.861 373 R HN 0.318 nan 8.270 nan 0.000 0.440 374 L N 0.470 121.662 121.223 -0.051 0.000 2.046 374 L HA -0.173 4.156 4.340 -0.017 0.000 0.208 374 L C 2.251 179.104 176.870 -0.028 0.000 1.077 374 L CA 1.158 55.975 54.840 -0.037 0.000 0.747 374 L CB -0.310 41.722 42.059 -0.046 0.000 0.896 374 L HN 0.218 nan 8.230 nan 0.000 0.432 375 L N -0.671 120.533 121.223 -0.031 0.000 2.217 375 L HA -0.081 4.249 4.340 -0.017 0.000 0.211 375 L C 2.769 179.653 176.870 0.024 0.000 1.107 375 L CA 0.593 55.428 54.840 -0.010 0.000 0.783 375 L CB -0.599 41.459 42.059 -0.003 0.000 0.919 375 L HN 0.213 nan 8.230 nan 0.000 0.442 376 A N -0.686 122.149 122.820 0.025 0.000 2.024 376 A HA -0.189 4.120 4.320 -0.017 0.000 0.220 376 A C 2.034 179.631 177.584 0.022 0.000 1.164 376 A CA 1.369 53.425 52.037 0.032 0.000 0.643 376 A CB -0.139 18.877 19.000 0.027 0.000 0.806 376 A HN 0.397 nan 8.150 nan 0.000 0.451 377 Q N -0.531 119.276 119.800 0.012 0.000 2.217 377 Q HA 0.126 4.456 4.340 -0.017 0.000 0.217 377 Q C -0.161 175.843 176.000 0.007 0.000 0.844 377 Q CA -0.183 55.626 55.803 0.009 0.000 0.957 377 Q CB 0.025 28.766 28.738 0.004 0.000 1.127 377 Q HN 0.643 nan 8.270 nan 0.000 0.503 378 N N 2.707 121.411 118.700 0.006 0.000 2.458 378 N HA 0.073 4.802 4.740 -0.017 0.000 0.270 378 N C -1.792 173.723 175.510 0.008 0.000 1.102 378 N CA -1.159 51.892 53.050 0.001 0.000 0.967 378 N CB 1.625 40.106 38.487 -0.010 0.000 1.078 378 N HN -0.082 nan 8.380 nan 0.000 0.471 379 P HA 0.066 nan 4.420 nan 0.000 0.241 379 P C 0.181 177.486 177.300 0.008 0.000 1.191 379 P CA 0.889 63.994 63.100 0.007 0.000 0.771 379 P CB 0.571 32.273 31.700 0.004 0.000 0.929 380 K N -1.119 119.284 120.400 0.006 0.000 2.399 380 K HA 0.223 4.532 4.320 -0.017 0.000 0.196 380 K C 0.017 176.628 176.600 0.019 0.000 1.103 380 K CA 0.277 56.568 56.287 0.006 0.000 0.986 380 K CB 1.158 33.654 32.500 -0.005 0.000 0.952 380 K HN -0.105 nan 8.250 nan 0.000 0.541 381 V N 1.934 121.861 119.914 0.022 0.000 2.569 381 V HA 0.313 4.423 4.120 -0.017 0.000 0.301 381 V C -1.049 175.087 176.094 0.071 0.000 1.044 381 V CA -0.937 61.392 62.300 0.047 0.000 0.874 381 V CB 1.749 33.573 31.823 0.002 0.000 1.002 381 V HN 0.097 nan 8.190 nan 0.000 0.424 382 R N 6.792 127.357 120.500 0.109 0.000 2.255 382 R HA 0.509 4.839 4.340 -0.017 0.000 0.326 382 R C -2.611 173.809 176.300 0.199 0.000 0.986 382 R CA -1.848 54.325 56.100 0.121 0.000 0.847 382 R CB 1.880 32.234 30.300 0.091 0.000 1.111 382 R HN 0.431 nan 8.270 nan 0.000 0.452 383 P HA 0.044 nan 4.420 nan 0.000 0.276 383 P C -0.884 176.527 177.300 0.186 0.000 1.243 383 P CA -0.154 63.128 63.100 0.303 0.000 0.768 383 P CB 1.281 33.161 31.700 0.300 0.000 0.856 384 V N 0.303 120.307 119.914 0.149 0.000 3.040 384 V HA 0.691 4.801 4.120 -0.017 0.000 0.312 384 V C 0.317 176.450 176.094 0.065 0.000 1.115 384 V CA -0.983 61.370 62.300 0.088 0.000 0.998 384 V CB 1.259 33.120 31.823 0.062 0.000 1.042 384 V HN 0.628 nan 8.190 nan 0.000 0.433 385 T N 0.140 114.721 114.554 0.045 0.000 2.802 385 T HA 0.501 4.840 4.350 -0.017 0.000 0.305 385 T C 1.426 176.145 174.700 0.032 0.000 1.053 385 T CA 0.348 62.472 62.100 0.040 0.000 1.058 385 T CB 1.076 69.961 68.868 0.028 0.000 0.988 385 T HN 1.713 nan 8.240 nan 0.000 0.539 386 A N 1.155 124.027 122.820 0.087 0.000 1.902 386 A HA -0.081 4.229 4.320 -0.017 0.000 0.217 386 A C 2.494 179.896 177.584 -0.303 0.000 1.181 386 A CA 1.745 53.825 52.037 0.073 0.000 0.623 386 A CB -0.899 18.383 19.000 0.470 0.000 0.818 386 A HN 0.971 nan 8.150 nan 0.000 0.443 387 R N -0.192 120.160 120.500 -0.246 0.000 2.096 387 R HA -0.235 4.095 4.340 -0.017 0.000 0.240 387 R C 2.194 178.350 176.300 -0.240 0.000 1.139 387 R CA 2.123 58.021 56.100 -0.337 0.000 0.952 387 R CB -0.306 30.003 30.300 0.015 0.000 0.854 387 R HN 0.734 nan 8.270 nan 0.000 0.436 388 E N -0.500 119.632 120.200 -0.114 0.000 2.072 388 E HA -0.122 4.218 4.350 -0.017 0.000 0.190 388 E C 1.809 178.360 176.600 -0.081 0.000 0.982 388 E CA 0.913 57.272 56.400 -0.070 0.000 0.803 388 E CB -0.100 29.588 29.700 -0.019 0.000 0.755 388 E HN 0.470 nan 8.360 nan 0.000 0.453 389 A N 0.888 123.658 122.820 -0.083 0.000 1.940 389 A HA -0.164 4.146 4.320 -0.017 0.000 0.219 389 A C 2.299 179.829 177.584 -0.089 0.000 1.176 389 A CA 1.727 53.732 52.037 -0.053 0.000 0.631 389 A CB -0.785 18.207 19.000 -0.013 0.000 0.814 389 A HN 0.351 nan 8.150 nan 0.000 0.446 390 V N -2.370 117.429 119.914 -0.191 0.000 3.623 390 V HA 0.063 4.173 4.120 -0.017 0.000 0.271 390 V C 0.629 176.649 176.094 -0.123 0.000 1.248 390 V CA 0.097 62.286 62.300 -0.185 0.000 1.156 390 V CB -1.208 30.424 31.823 -0.319 0.000 0.870 390 V HN 0.573 nan 8.190 nan 0.000 0.453 391 Q N 1.141 120.881 119.800 -0.100 0.000 2.417 391 Q HA 0.537 4.867 4.340 -0.017 0.000 0.241 391 Q C 0.854 176.832 176.000 -0.037 0.000 1.008 391 Q CA 0.778 56.546 55.803 -0.058 0.000 0.901 391 Q CB 0.989 29.700 28.738 -0.044 0.000 1.259 391 Q HN 0.761 nan 8.270 nan 0.000 0.489 392 G N 1.062 109.848 108.800 -0.024 0.000 2.615 392 G HA2 -0.176 3.774 3.960 -0.017 0.000 0.218 392 G HA3 -0.176 3.774 3.960 -0.017 0.000 0.218 392 G C -2.549 172.342 174.900 -0.014 0.000 1.339 392 G CA -1.202 43.889 45.100 -0.015 0.000 0.884 392 G HN 0.526 nan 8.290 nan 0.000 0.559 393 P HA 0.534 nan 4.420 nan 0.000 0.268 393 P C -0.116 177.178 177.300 -0.010 0.000 1.204 393 P CA 0.906 64.004 63.100 -0.003 0.000 0.768 393 P CB 1.114 32.821 31.700 0.012 0.000 0.842 394 A N 2.898 125.702 122.820 -0.026 0.000 2.365 394 A HA 0.542 4.851 4.320 -0.017 0.000 0.318 394 A C -0.563 176.969 177.584 -0.085 0.000 1.091 394 A CA -0.705 51.296 52.037 -0.060 0.000 0.763 394 A CB 1.146 20.115 19.000 -0.051 0.000 1.248 394 A HN 0.335 nan 8.150 nan 0.000 0.442 395 V N 2.660 122.464 119.914 -0.184 0.000 2.555 395 V HA 0.160 4.269 4.120 -0.017 0.000 0.286 395 V C 0.703 176.749 176.094 -0.080 0.000 1.044 395 V CA -0.090 62.100 62.300 -0.183 0.000 1.026 395 V CB 0.681 32.286 31.823 -0.363 0.000 0.981 395 V HN 0.861 nan 8.190 nan 0.000 0.480 396 R N 3.159 123.637 120.500 -0.036 0.000 2.316 396 R HA 0.472 4.801 4.340 -0.017 0.000 0.314 396 R C -0.344 175.970 176.300 0.025 0.000 1.069 396 R CA 0.005 56.103 56.100 -0.005 0.000 0.959 396 R CB 0.555 30.848 30.300 -0.011 0.000 0.987 396 R HN 0.743 nan 8.270 nan 0.000 0.446 397 T N 1.120 115.699 114.554 0.041 0.000 2.933 397 T HA 0.496 4.835 4.350 -0.017 0.000 0.305 397 T C -1.045 173.650 174.700 -0.008 0.000 1.092 397 T CA -0.679 61.449 62.100 0.047 0.000 1.008 397 T CB 2.021 70.977 68.868 0.147 0.000 1.102 397 T HN 0.628 nan 8.240 nan 0.000 0.469 398 A N 3.065 125.874 122.820 -0.019 0.000 2.304 398 A HA 0.843 5.153 4.320 -0.017 0.000 0.323 398 A C -0.674 176.879 177.584 -0.053 0.000 1.195 398 A CA -0.640 51.383 52.037 -0.024 0.000 0.826 398 A CB 0.384 19.384 19.000 0.001 0.000 1.184 398 A HN 0.793 nan 8.150 nan 0.000 0.496 399 L N 4.117 125.298 121.223 -0.071 0.000 2.309 399 L HA 0.478 4.808 4.340 -0.017 0.000 0.282 399 L C -1.889 175.022 176.870 0.068 0.000 1.036 399 L CA -1.918 52.852 54.840 -0.115 0.000 0.806 399 L CB 1.748 43.550 42.059 -0.428 0.000 1.220 399 L HN 0.551 nan 8.230 nan 0.000 0.429 400 P HA 0.095 nan 4.420 nan 0.000 0.276 400 P C -0.816 176.579 177.300 0.158 0.000 1.252 400 P CA -0.591 62.559 63.100 0.083 0.000 0.802 400 P CB 0.836 32.560 31.700 0.039 0.000 1.035 401 E N -0.330 119.944 120.200 0.123 0.000 2.384 401 E HA 0.417 4.756 4.350 -0.017 0.000 0.266 401 E C 0.189 176.846 176.600 0.095 0.000 1.012 401 E CA 0.123 56.592 56.400 0.116 0.000 0.901 401 E CB -0.095 29.651 29.700 0.076 0.000 0.967 401 E HN 0.719 nan 8.360 nan 0.000 0.435 402 G N 1.759 110.643 108.800 0.139 0.000 2.325 402 G HA2 0.408 4.357 3.960 -0.017 0.000 0.295 402 G HA3 0.408 4.357 3.960 -0.017 0.000 0.295 402 G C -1.189 173.848 174.900 0.229 0.000 1.274 402 G CA -0.126 45.063 45.100 0.149 0.000 0.857 402 G HN 0.842 nan 8.290 nan 0.000 0.499 403 S N -1.721 114.164 115.700 0.309 0.000 2.672 403 S HA 0.544 5.003 4.470 -0.017 0.000 0.271 403 S C -0.324 174.566 174.600 0.483 0.000 1.171 403 S CA 0.273 58.673 58.200 0.334 0.000 0.817 403 S CB 1.080 64.585 63.200 0.507 0.000 1.150 403 S HN 2.135 nan 8.310 nan 0.000 0.478 404 W N 1.457 122.895 121.300 0.229 0.000 3.353 404 W HA 0.528 5.177 4.660 -0.018 0.000 0.304 404 W C 0.283 176.982 176.519 0.300 0.000 1.273 404 W CA -0.522 56.969 57.345 0.244 0.000 1.773 404 W CB -1.426 28.130 29.460 0.160 0.000 1.095 404 W HN 0.853 nan 8.180 nan 0.000 0.676 405 G N 1.772 111.003 108.800 0.719 0.000 2.621 405 G HA2 0.190 4.139 3.960 -0.017 0.000 0.271 405 G HA3 0.190 4.139 3.960 -0.017 0.000 0.271 405 G C -0.345 174.696 174.900 0.236 0.000 1.236 405 G CA -1.061 44.375 45.100 0.561 0.000 0.958 405 G HN 0.215 nan 8.290 nan 0.000 0.512 406 R N -0.498 120.043 120.500 0.067 0.000 2.504 406 R HA 0.296 4.626 4.340 -0.017 0.000 0.291 406 R C 1.478 177.785 176.300 0.011 0.000 0.974 406 R CA 1.433 57.517 56.100 -0.027 0.000 1.077 406 R CB -0.239 29.993 30.300 -0.114 0.000 0.926 406 R HN 1.248 nan 8.270 nan 0.000 0.407 407 G N 2.331 111.116 108.800 -0.025 0.000 2.205 407 G HA2 -0.321 3.628 3.960 -0.017 0.000 0.261 407 G HA3 -0.321 3.628 3.960 -0.017 0.000 0.261 407 G C 0.819 175.696 174.900 -0.038 0.000 0.980 407 G CA 0.329 45.409 45.100 -0.033 0.000 0.632 407 G HN 1.514 nan 8.290 nan 0.000 0.533 408 G N -0.349 108.469 108.800 0.030 0.000 2.166 408 G HA2 0.004 3.954 3.960 -0.017 0.000 0.260 408 G HA3 0.004 3.954 3.960 -0.017 0.000 0.260 408 G C 0.313 175.378 174.900 0.274 0.000 0.986 408 G CA 1.665 46.825 45.100 0.099 0.000 0.683 408 G HN 1.891 nan 8.290 nan 0.000 0.527 409 D N -2.550 117.972 120.400 0.203 0.000 2.831 409 D HA 0.482 5.112 4.640 -0.017 0.000 0.240 409 D C 0.779 177.270 176.300 0.317 0.000 1.183 409 D CA -0.547 53.505 54.000 0.087 0.000 1.079 409 D CB -0.121 40.656 40.800 -0.038 0.000 1.262 409 D HN 0.048 nan 8.370 nan 0.000 0.634 410 H N -0.860 118.419 119.070 0.348 0.000 2.529 410 H HA 0.217 4.763 4.556 -0.017 0.000 0.277 410 H C 1.612 177.128 175.328 0.313 0.000 1.004 410 H CA 0.224 56.534 56.048 0.437 0.000 1.167 410 H CB -0.097 29.869 29.762 0.340 0.000 1.445 410 H HN 0.479 nan 8.280 nan 0.000 0.554 411 R N 0.387 121.043 120.500 0.259 0.000 2.127 411 R HA -0.075 4.254 4.340 -0.017 0.000 0.238 411 R C 1.281 177.565 176.300 -0.027 0.000 1.134 411 R CA 1.367 57.525 56.100 0.095 0.000 0.975 411 R CB -0.943 29.373 30.300 0.026 0.000 0.865 411 R HN 0.004 nan 8.270 nan 0.000 0.447 412 V N 0.161 119.970 119.914 -0.175 0.000 2.407 412 V HA -0.166 3.944 4.120 -0.017 0.000 0.248 412 V C 1.797 177.508 176.094 -0.639 0.000 1.055 412 V CA 1.554 63.464 62.300 -0.650 0.000 1.049 412 V CB -0.554 30.499 31.823 -1.283 0.000 0.662 412 V HN 0.485 nan 8.190 nan 0.000 0.455 413 W N -1.663 119.623 121.300 -0.024 0.000 2.907 413 W HA 0.436 5.086 4.660 -0.018 0.000 0.271 413 W C 0.269 176.912 176.519 0.207 0.000 1.253 413 W CA -0.319 57.024 57.345 -0.004 0.000 1.501 413 W CB 0.655 29.918 29.460 -0.328 0.000 1.047 413 W HN 0.181 nan 8.180 nan 0.000 0.610 414 L N 3.120 124.527 121.223 0.308 0.000 2.345 414 L HA 0.307 4.637 4.340 -0.017 0.000 0.274 414 L C -0.629 176.330 176.870 0.148 0.000 0.999 414 L CA -0.124 54.860 54.840 0.240 0.000 0.849 414 L CB 0.191 42.300 42.059 0.083 0.000 1.220 414 L HN -0.007 nan 8.230 nan 0.000 0.422 415 N N 0.582 119.370 118.700 0.146 0.000 3.106 415 N HA 0.239 4.968 4.740 -0.017 0.000 0.253 415 N C 0.089 175.654 175.510 0.091 0.000 1.506 415 N CA -0.337 52.761 53.050 0.080 0.000 0.876 415 N CB 0.339 38.841 38.487 0.026 0.000 1.452 415 N HN 0.410 nan 8.380 nan 0.000 0.542 416 E N -0.647 119.588 120.200 0.058 0.000 2.160 416 E HA -0.181 4.158 4.350 -0.017 0.000 0.195 416 E C 0.548 177.193 176.600 0.074 0.000 0.991 416 E CA 0.938 57.375 56.400 0.061 0.000 0.810 416 E CB -0.139 29.583 29.700 0.038 0.000 0.742 416 E HN 0.364 nan 8.360 nan 0.000 0.466 417 K N 0.582 121.021 120.400 0.065 0.000 2.426 417 K HA 0.027 4.337 4.320 -0.017 0.000 0.193 417 K C 1.595 178.256 176.600 0.102 0.000 1.028 417 K CA 1.270 57.600 56.287 0.071 0.000 1.047 417 K CB 0.626 33.149 32.500 0.038 0.000 0.821 417 K HN 0.420 nan 8.250 nan 0.000 0.513 418 T N -2.863 111.773 114.554 0.136 0.000 3.040 418 T HA 0.244 4.584 4.350 -0.017 0.000 0.266 418 T C 1.695 176.564 174.700 0.281 0.000 1.005 418 T CA -0.279 61.926 62.100 0.175 0.000 0.906 418 T CB -0.015 68.985 68.868 0.219 0.000 1.082 418 T HN -0.068 nan 8.240 nan 0.000 0.531 419 L N 1.140 122.501 121.223 0.230 0.000 2.083 419 L HA -0.025 4.304 4.340 -0.017 0.000 0.209 419 L C 2.530 179.498 176.870 0.163 0.000 1.083 419 L CA 2.052 57.024 54.840 0.221 0.000 0.752 419 L CB -0.614 41.536 42.059 0.151 0.000 0.899 419 L HN 0.367 nan 8.230 nan 0.000 0.433 420 D N -0.507 119.975 120.400 0.137 0.000 2.104 420 D HA -0.298 4.331 4.640 -0.017 0.000 0.194 420 D C 2.115 178.437 176.300 0.037 0.000 0.994 420 D CA 1.333 55.407 54.000 0.123 0.000 0.830 420 D CB -0.145 40.766 40.800 0.185 0.000 0.959 420 D HN 0.291 nan 8.370 nan 0.000 0.452 421 Y N -0.350 119.801 120.300 -0.248 0.000 2.081 421 Y HA -0.233 4.306 4.550 -0.017 0.000 0.280 421 Y C 1.841 177.421 175.900 -0.533 0.000 1.163 421 Y CA 2.033 59.698 58.100 -0.724 0.000 1.135 421 Y CB -0.744 37.083 38.460 -1.055 0.000 0.970 421 Y HN 0.127 nan 8.280 nan 0.000 0.498 422 W N 0.777 121.884 121.300 -0.322 0.000 2.402 422 W HA -0.095 4.555 4.660 -0.018 0.000 0.286 422 W C 2.539 178.683 176.519 -0.625 0.000 1.221 422 W CA 1.433 58.419 57.345 -0.599 0.000 1.257 422 W CB -0.385 28.830 29.460 -0.408 0.000 1.120 422 W HN 0.144 nan 8.180 nan 0.000 0.551 423 E N 0.724 120.883 120.200 -0.069 0.000 2.058 423 E HA -0.247 4.092 4.350 -0.017 0.000 0.194 423 E C 1.974 178.591 176.600 0.028 0.000 0.997 423 E CA 1.648 58.072 56.400 0.041 0.000 0.801 423 E CB -0.029 29.720 29.700 0.081 0.000 0.746 423 E HN 0.211 nan 8.360 nan 0.000 0.450 424 K N -0.229 120.135 120.400 -0.061 0.000 2.057 424 K HA -0.104 4.206 4.320 -0.017 0.000 0.206 424 K C 2.152 178.720 176.600 -0.053 0.000 1.050 424 K CA 1.182 57.484 56.287 0.024 0.000 0.935 424 K CB -0.054 32.476 32.500 0.051 0.000 0.715 424 K HN 0.029 nan 8.250 nan 0.000 0.439 425 V N 0.893 120.603 119.914 -0.342 0.000 2.287 425 V HA -0.277 3.832 4.120 -0.017 0.000 0.248 425 V C 2.129 178.274 176.094 0.085 0.000 1.053 425 V CA 1.758 63.882 62.300 -0.293 0.000 1.027 425 V CB -0.603 30.888 31.823 -0.553 0.000 0.646 425 V HN 0.221 nan 8.190 nan 0.000 0.447 426 Y N 0.272 120.665 120.300 0.156 0.000 2.200 426 Y HA -0.135 4.405 4.550 -0.017 0.000 0.290 426 Y C 2.638 178.700 175.900 0.270 0.000 1.137 426 Y CA 1.427 59.697 58.100 0.283 0.000 1.163 426 Y CB -0.870 37.757 38.460 0.278 0.000 0.988 426 Y HN 0.174 nan 8.280 nan 0.000 0.518 427 R N 0.284 121.007 120.500 0.373 0.000 2.073 427 R HA -0.137 4.192 4.340 -0.017 0.000 0.234 427 R C 2.360 178.865 176.300 0.342 0.000 1.134 427 R CA 1.339 57.652 56.100 0.355 0.000 0.952 427 R CB -0.354 30.151 30.300 0.342 0.000 0.850 427 R HN 0.258 nan 8.270 nan 0.000 0.433 428 A N 0.961 123.873 122.820 0.154 0.000 1.902 428 A HA -0.173 4.136 4.320 -0.017 0.000 0.217 428 A C 1.904 179.253 177.584 -0.391 0.000 1.181 428 A CA 1.584 53.329 52.037 -0.487 0.000 0.623 428 A CB -0.421 17.900 19.000 -1.131 0.000 0.818 428 A HN 0.511 nan 8.150 nan 0.000 0.443 429 E N -0.646 119.473 120.200 -0.135 0.000 2.077 429 E HA -0.130 4.209 4.350 -0.017 0.000 0.193 429 E C 2.153 178.609 176.600 -0.241 0.000 0.989 429 E CA 0.856 57.204 56.400 -0.086 0.000 0.800 429 E CB -0.394 29.445 29.700 0.232 0.000 0.746 429 E HN 0.609 nan 8.360 nan 0.000 0.452 430 G N 1.095 109.770 108.800 -0.210 0.000 2.418 430 G HA2 -0.263 3.686 3.960 -0.017 0.000 0.217 430 G HA3 -0.263 3.686 3.960 -0.017 0.000 0.217 430 G C 1.678 176.530 174.900 -0.081 0.000 1.158 430 G CA 0.885 45.812 45.100 -0.288 0.000 0.771 430 G HN 0.352 nan 8.290 nan 0.000 0.545 431 A N 0.066 122.934 122.820 0.081 0.000 1.969 431 A HA 0.101 4.410 4.320 -0.017 0.000 0.218 431 A C 2.287 179.952 177.584 0.134 0.000 1.169 431 A CA 2.051 54.197 52.037 0.181 0.000 0.635 431 A CB -0.312 18.937 19.000 0.415 0.000 0.810 431 A HN 0.398 nan 8.150 nan 0.000 0.445 432 M N 0.193 119.858 119.600 0.108 0.000 2.132 432 M HA -0.109 4.361 4.480 -0.017 0.000 0.263 432 M C 2.100 178.295 176.300 -0.176 0.000 1.065 432 M CA 2.170 57.434 55.300 -0.060 0.000 1.122 432 M CB -0.413 31.957 32.600 -0.383 0.000 1.365 432 M HN 0.464 nan 8.290 nan 0.000 0.411 433 R N -0.458 119.952 120.500 -0.151 0.000 2.096 433 R HA -0.201 4.129 4.340 -0.017 0.000 0.235 433 R C 2.058 178.357 176.300 -0.002 0.000 1.127 433 R CA 1.990 58.074 56.100 -0.026 0.000 0.968 433 R CB -0.461 29.810 30.300 -0.048 0.000 0.861 433 R HN 0.462 nan 8.270 nan 0.000 0.440 434 E N 0.513 120.703 120.200 -0.017 0.000 2.072 434 E HA -0.071 4.269 4.350 -0.017 0.000 0.191 434 E C 1.791 178.394 176.600 0.006 0.000 0.985 434 E CA 1.670 58.073 56.400 0.005 0.000 0.801 434 E CB -0.271 29.439 29.700 0.016 0.000 0.750 434 E HN 0.452 nan 8.360 nan 0.000 0.452 435 A N 0.872 123.689 122.820 -0.006 0.000 1.902 435 A HA -0.044 4.265 4.320 -0.017 0.000 0.217 435 A C 2.450 180.030 177.584 -0.007 0.000 1.181 435 A CA 2.086 54.111 52.037 -0.020 0.000 0.623 435 A CB -1.048 17.916 19.000 -0.060 0.000 0.818 435 A HN 0.391 nan 8.150 nan 0.000 0.443 436 A N -0.294 122.530 122.820 0.007 0.000 1.902 436 A HA -0.158 4.152 4.320 -0.017 0.000 0.217 436 A C 2.259 179.873 177.584 0.049 0.000 1.181 436 A CA 1.476 53.542 52.037 0.048 0.000 0.623 436 A CB -0.449 18.622 19.000 0.119 0.000 0.818 436 A HN 0.543 nan 8.150 nan 0.000 0.443 437 R N -0.792 119.734 120.500 0.043 0.000 2.092 437 R HA -0.059 4.271 4.340 -0.017 0.000 0.231 437 R C 2.440 178.753 176.300 0.023 0.000 1.119 437 R CA 1.425 57.546 56.100 0.035 0.000 0.970 437 R CB -0.267 30.051 30.300 0.030 0.000 0.864 437 R HN 0.496 nan 8.270 nan 0.000 0.440 438 R N -0.403 120.106 120.500 0.016 0.000 2.075 438 R HA -0.026 4.303 4.340 -0.017 0.000 0.232 438 R C 1.304 177.609 176.300 0.009 0.000 1.126 438 R CA 0.920 57.026 56.100 0.010 0.000 0.963 438 R CB -0.225 30.078 30.300 0.005 0.000 0.858 438 R HN 0.398 nan 8.270 nan 0.000 0.435 439 G N 0.739 109.545 108.800 0.009 0.000 2.283 439 G HA2 -0.259 3.691 3.960 -0.017 0.000 0.280 439 G HA3 -0.259 3.691 3.960 -0.017 0.000 0.280 439 G C 0.700 175.601 174.900 0.002 0.000 1.029 439 G CA 0.567 45.672 45.100 0.008 0.000 0.840 439 G HN 0.365 nan 8.290 nan 0.000 0.505 440 V N -3.183 116.729 119.914 -0.004 0.000 3.125 440 V HA 0.499 4.609 4.120 -0.017 0.000 0.249 440 V C 1.639 177.725 176.094 -0.014 0.000 1.113 440 V CA 0.502 62.798 62.300 -0.007 0.000 1.106 440 V CB -0.156 31.664 31.823 -0.006 0.000 0.768 440 V HN 0.337 nan 8.190 nan 0.000 0.468 441 L N 1.742 122.951 121.223 -0.022 0.000 2.467 441 L HA 0.328 4.658 4.340 -0.017 0.000 0.270 441 L C -2.001 174.855 176.870 -0.025 0.000 1.205 441 L CA -1.535 53.285 54.840 -0.033 0.000 0.828 441 L CB -0.038 41.988 42.059 -0.055 0.000 1.101 441 L HN 0.106 nan 8.230 nan 0.000 0.479 442 P HA -0.068 nan 4.420 nan 0.000 0.266 442 P C 0.411 177.703 177.300 -0.014 0.000 1.193 442 P CA 0.053 63.142 63.100 -0.018 0.000 0.770 442 P CB 0.508 32.196 31.700 -0.021 0.000 0.836 443 E N 2.237 122.435 120.200 -0.004 0.000 2.086 443 E HA -0.243 4.096 4.350 -0.017 0.000 0.200 443 E C 1.995 178.597 176.600 0.004 0.000 1.012 443 E CA 2.018 58.421 56.400 0.004 0.000 0.812 443 E CB -0.780 28.926 29.700 0.010 0.000 0.743 443 E HN 0.655 nan 8.360 nan 0.000 0.453 444 G N 0.049 108.849 108.800 0.000 0.000 2.408 444 G HA2 -0.201 3.749 3.960 -0.017 0.000 0.217 444 G HA3 -0.201 3.749 3.960 -0.017 0.000 0.217 444 G C 1.635 176.530 174.900 -0.009 0.000 1.150 444 G CA 0.824 45.925 45.100 0.002 0.000 0.776 444 G HN 0.248 nan 8.290 nan 0.000 0.542 445 V N 0.918 120.816 119.914 -0.028 0.000 2.358 445 V HA -0.093 4.017 4.120 -0.017 0.000 0.246 445 V C 2.901 178.958 176.094 -0.060 0.000 1.047 445 V CA 1.309 63.576 62.300 -0.055 0.000 1.035 445 V CB -0.403 31.376 31.823 -0.074 0.000 0.658 445 V HN 0.337 nan 8.190 nan 0.000 0.452 446 L N -0.574 120.623 121.223 -0.042 0.000 2.046 446 L HA -0.193 4.137 4.340 -0.017 0.000 0.208 446 L C 2.783 179.654 176.870 0.002 0.000 1.077 446 L CA 1.708 56.528 54.840 -0.033 0.000 0.747 446 L CB -0.600 41.453 42.059 -0.009 0.000 0.896 446 L HN 0.236 nan 8.230 nan 0.000 0.432 447 R N -0.530 119.982 120.500 0.021 0.000 2.075 447 R HA -0.199 4.131 4.340 -0.017 0.000 0.232 447 R C 2.331 178.664 176.300 0.056 0.000 1.126 447 R CA 1.342 57.472 56.100 0.050 0.000 0.963 447 R CB -0.231 30.098 30.300 0.049 0.000 0.858 447 R HN 0.224 nan 8.270 nan 0.000 0.435 448 Q N 0.512 120.330 119.800 0.030 0.000 2.172 448 Q HA -0.000 4.329 4.340 -0.017 0.000 0.200 448 Q C 1.859 177.886 176.000 0.044 0.000 0.964 448 Q CA 1.640 57.466 55.803 0.038 0.000 0.855 448 Q CB -0.099 28.651 28.738 0.020 0.000 0.918 448 Q HN 0.320 nan 8.270 nan 0.000 0.444 449 A N 0.480 123.294 122.820 -0.010 0.000 1.908 449 A HA -0.215 4.095 4.320 -0.017 0.000 0.218 449 A C 2.147 179.836 177.584 0.174 0.000 1.181 449 A CA 1.753 53.779 52.037 -0.017 0.000 0.627 449 A CB -0.733 18.100 19.000 -0.278 0.000 0.818 449 A HN 0.607 nan 8.150 nan 0.000 0.445 450 M N -0.570 119.093 119.600 0.104 0.000 2.080 450 M HA -0.225 4.245 4.480 -0.017 0.000 0.260 450 M C 2.254 178.640 176.300 0.143 0.000 1.068 450 M CA 1.941 57.315 55.300 0.124 0.000 1.109 450 M CB -0.193 32.503 32.600 0.160 0.000 1.342 450 M HN 0.401 nan 8.290 nan 0.000 0.405 451 R N -0.025 120.560 120.500 0.141 0.000 2.091 451 R HA -0.139 4.190 4.340 -0.017 0.000 0.238 451 R C 2.099 178.452 176.300 0.089 0.000 1.136 451 R CA 1.635 57.822 56.100 0.145 0.000 0.959 451 R CB -0.522 29.846 30.300 0.112 0.000 0.856 451 R HN 0.480 nan 8.270 nan 0.000 0.437 452 E N 0.884 121.158 120.200 0.124 0.000 2.077 452 E HA -0.189 4.151 4.350 -0.017 0.000 0.193 452 E C 2.038 178.690 176.600 0.086 0.000 0.989 452 E CA 0.824 57.311 56.400 0.146 0.000 0.800 452 E CB -0.292 29.567 29.700 0.264 0.000 0.746 452 E HN 0.167 nan 8.360 nan 0.000 0.452 453 L N 0.988 122.249 121.223 0.062 0.000 2.017 453 L HA -0.150 4.180 4.340 -0.017 0.000 0.208 453 L C 2.292 179.147 176.870 -0.025 0.000 1.073 453 L CA 1.486 56.231 54.840 -0.157 0.000 0.745 453 L CB -0.667 41.235 42.059 -0.261 0.000 0.894 453 L HN 0.051 nan 8.230 nan 0.000 0.432 454 L N -1.166 120.087 121.223 0.049 0.000 2.042 454 L HA -0.262 4.068 4.340 -0.017 0.000 0.210 454 L C 2.568 179.491 176.870 0.088 0.000 1.076 454 L CA 1.493 56.381 54.840 0.081 0.000 0.749 454 L CB -0.644 41.475 42.059 0.100 0.000 0.893 454 L HN 0.321 nan 8.230 nan 0.000 0.432 455 L N -0.787 120.446 121.223 0.016 0.000 2.046 455 L HA -0.245 4.084 4.340 -0.017 0.000 0.208 455 L C 2.563 179.566 176.870 0.220 0.000 1.077 455 L CA 0.796 55.596 54.840 -0.066 0.000 0.747 455 L CB -0.528 41.130 42.059 -0.669 0.000 0.896 455 L HN 0.256 nan 8.230 nan 0.000 0.432 456 L N 0.132 121.468 121.223 0.188 0.000 2.042 456 L HA -0.218 4.112 4.340 -0.017 0.000 0.210 456 L C 2.203 179.287 176.870 0.357 0.000 1.076 456 L CA 1.813 56.854 54.840 0.336 0.000 0.749 456 L CB -0.551 41.564 42.059 0.094 0.000 0.893 456 L HN 0.224 nan 8.230 nan 0.000 0.432 457 E N 0.321 120.625 120.200 0.174 0.000 2.516 457 E HA 0.061 4.401 4.350 -0.017 0.000 0.199 457 E C 0.853 177.555 176.600 0.169 0.000 1.069 457 E CA 0.247 56.738 56.400 0.151 0.000 0.876 457 E CB -0.241 29.526 29.700 0.112 0.000 0.843 457 E HN 0.614 nan 8.360 nan 0.000 0.530 458 A N 1.454 124.339 122.820 0.109 0.000 2.548 458 A HA 0.001 4.310 4.320 -0.017 0.000 0.247 458 A C 1.503 178.994 177.584 -0.154 0.000 1.067 458 A CA 0.432 52.401 52.037 -0.113 0.000 0.757 458 A CB 0.251 18.959 19.000 -0.487 0.000 0.996 458 A HN 0.261 nan 8.150 nan 0.000 0.504 459 S N 1.469 117.197 115.700 0.046 0.000 2.474 459 S HA -0.161 4.299 4.470 -0.017 0.000 0.235 459 S C 0.879 175.580 174.600 0.169 0.000 0.997 459 S CA 1.547 59.850 58.200 0.172 0.000 0.949 459 S CB -0.509 62.852 63.200 0.268 0.000 0.766 459 S HN 0.742 nan 8.310 nan 0.000 0.517 460 D N 1.434 121.781 120.400 -0.088 0.000 2.182 460 D HA -0.098 4.532 4.640 -0.017 0.000 0.201 460 D C 1.378 177.713 176.300 0.058 0.000 0.986 460 D CA 1.679 55.613 54.000 -0.109 0.000 0.847 460 D CB -0.302 40.255 40.800 -0.405 0.000 0.942 460 D HN 0.714 nan 8.370 nan 0.000 0.467 461 W N 1.187 122.557 121.300 0.117 0.000 2.413 461 W HA 0.010 4.660 4.660 -0.017 0.000 0.315 461 W C -0.430 176.014 176.519 -0.126 0.000 1.186 461 W CA 0.035 57.386 57.345 0.009 0.000 1.326 461 W CB -1.766 27.703 29.460 0.016 0.000 1.153 461 W HN 0.021 nan 8.180 nan 0.000 0.489 462 P HA -0.213 nan 4.420 nan 0.000 0.222 462 P C 1.324 178.622 177.300 -0.003 0.000 1.147 462 P CA 1.306 64.230 63.100 -0.294 0.000 0.790 462 P CB -0.489 30.900 31.700 -0.518 0.000 0.780 463 F N 1.090 121.042 119.950 0.004 0.000 2.202 463 F HA -0.136 4.381 4.527 -0.017 0.000 0.301 463 F C 1.773 177.507 175.800 -0.110 0.000 1.082 463 F CA 1.491 59.407 58.000 -0.139 0.000 1.313 463 F CB -0.524 38.560 39.000 0.140 0.000 1.024 463 F HN -0.246 nan 8.300 nan 0.000 0.495 464 L N -0.415 120.872 121.223 0.107 0.000 2.640 464 L HA 0.021 4.351 4.340 -0.017 0.000 0.230 464 L C 1.624 178.503 176.870 0.015 0.000 1.123 464 L CA -0.255 54.624 54.840 0.065 0.000 0.900 464 L CB -0.243 41.959 42.059 0.239 0.000 1.146 464 L HN 0.064 nan 8.230 nan 0.000 0.484 465 M N -0.347 119.247 119.600 -0.010 0.000 2.557 465 M HA -0.060 4.409 4.480 -0.017 0.000 0.259 465 M C 1.193 177.480 176.300 -0.021 0.000 1.086 465 M CA 1.255 56.565 55.300 0.017 0.000 1.096 465 M CB -0.635 31.989 32.600 0.041 0.000 1.424 465 M HN 0.257 nan 8.290 nan 0.000 0.488 466 E N -0.490 119.657 120.200 -0.089 0.000 2.501 466 E HA 0.099 4.438 4.350 -0.017 0.000 0.200 466 E C -0.305 176.236 176.600 -0.098 0.000 1.016 466 E CA -0.028 56.315 56.400 -0.095 0.000 0.921 466 E CB 0.551 30.169 29.700 -0.136 0.000 1.034 466 E HN 0.179 nan 8.360 nan 0.000 0.468 467 T N 0.187 114.696 114.554 -0.075 0.000 2.753 467 T HA 0.196 4.536 4.350 -0.017 0.000 0.297 467 T C 1.221 175.925 174.700 0.008 0.000 0.981 467 T CA -0.353 61.719 62.100 -0.047 0.000 0.956 467 T CB 1.486 70.332 68.868 -0.037 0.000 0.936 467 T HN 0.221 nan 8.240 nan 0.000 0.463 468 G N 2.151 110.951 108.800 0.000 0.000 2.476 468 G HA2 -0.238 3.711 3.960 -0.017 0.000 0.218 468 G HA3 -0.238 3.711 3.960 -0.017 0.000 0.218 468 G C 1.181 176.111 174.900 0.050 0.000 1.164 468 G CA 0.786 45.896 45.100 0.018 0.000 0.768 468 G HN 0.675 nan 8.290 nan 0.000 0.560 469 Q N -0.385 119.451 119.800 0.061 0.000 2.451 469 Q HA 0.369 4.699 4.340 -0.017 0.000 0.206 469 Q C 2.223 178.345 176.000 0.203 0.000 0.947 469 Q CA 0.547 56.407 55.803 0.094 0.000 0.937 469 Q CB 0.252 29.020 28.738 0.050 0.000 1.025 469 Q HN 0.515 nan 8.270 nan 0.000 0.511 470 A N 0.172 123.116 122.820 0.207 0.000 2.390 470 A HA 0.010 4.320 4.320 -0.017 0.000 0.225 470 A C 1.548 179.239 177.584 0.180 0.000 1.232 470 A CA 0.095 52.305 52.037 0.287 0.000 0.964 470 A CB 0.265 19.460 19.000 0.325 0.000 1.064 470 A HN 0.291 nan 8.150 nan 0.000 0.525 471 E N 0.614 120.887 120.200 0.121 0.000 2.150 471 E HA 0.055 4.394 4.350 -0.017 0.000 0.193 471 E C 1.680 178.310 176.600 0.050 0.000 0.985 471 E CA 1.459 57.910 56.400 0.085 0.000 0.814 471 E CB -0.554 29.181 29.700 0.058 0.000 0.752 471 E HN 0.371 nan 8.360 nan 0.000 0.466 472 A N 0.366 123.219 122.820 0.054 0.000 1.898 472 A HA -0.134 4.176 4.320 -0.017 0.000 0.216 472 A C 2.178 179.733 177.584 -0.048 0.000 1.181 472 A CA 1.386 53.428 52.037 0.007 0.000 0.620 472 A CB -1.056 17.968 19.000 0.041 0.000 0.819 472 A HN 0.447 nan 8.150 nan 0.000 0.442 473 Y N 0.720 120.945 120.300 -0.123 0.000 2.097 473 Y HA -0.140 4.400 4.550 -0.017 0.000 0.282 473 Y C 2.650 178.375 175.900 -0.292 0.000 1.152 473 Y CA 1.599 59.543 58.100 -0.260 0.000 1.136 473 Y CB -0.566 37.559 38.460 -0.558 0.000 0.975 473 Y HN 0.295 nan 8.280 nan 0.000 0.498 474 A N 0.580 123.307 122.820 -0.156 0.000 1.933 474 A HA -0.183 4.127 4.320 -0.017 0.000 0.218 474 A C 2.403 179.825 177.584 -0.270 0.000 1.175 474 A CA 1.680 53.656 52.037 -0.103 0.000 0.628 474 A CB -0.832 18.306 19.000 0.229 0.000 0.814 474 A HN 0.558 nan 8.150 nan 0.000 0.444 475 R N -0.420 119.915 120.500 -0.274 0.000 2.073 475 R HA -0.152 4.177 4.340 -0.017 0.000 0.234 475 R C 1.864 177.693 176.300 -0.785 0.000 1.134 475 R CA 1.634 57.366 56.100 -0.614 0.000 0.952 475 R CB -0.204 29.888 30.300 -0.347 0.000 0.850 475 R HN 0.452 nan 8.270 nan 0.000 0.433 476 E N 0.280 120.140 120.200 -0.566 0.000 2.110 476 E HA -0.170 4.170 4.350 -0.017 0.000 0.193 476 E C 2.086 178.295 176.600 -0.652 0.000 0.988 476 E CA 0.850 56.933 56.400 -0.528 0.000 0.804 476 E CB -0.119 29.342 29.700 -0.398 0.000 0.745 476 E HN 0.256 nan 8.360 nan 0.000 0.458 477 R N 0.564 120.530 120.500 -0.889 0.000 2.070 477 R HA -0.144 4.186 4.340 -0.017 0.000 0.233 477 R C 2.530 178.291 176.300 -0.898 0.000 1.137 477 R CA 1.558 57.008 56.100 -1.083 0.000 0.945 477 R CB -1.182 28.095 30.300 -1.706 0.000 0.845 477 R HN 0.407 nan 8.270 nan 0.000 0.430 478 Y N 0.960 120.788 120.300 -0.788 0.000 2.242 478 Y HA 0.032 4.572 4.550 -0.018 0.000 0.291 478 Y C 1.689 177.499 175.900 -0.149 0.000 1.137 478 Y CA 0.812 58.693 58.100 -0.366 0.000 1.181 478 Y CB -0.764 37.694 38.460 -0.002 0.000 0.989 478 Y HN 0.029 nan 8.280 nan 0.000 0.527 479 E N 0.133 120.043 120.200 -0.485 0.000 2.110 479 E HA -0.225 4.114 4.350 -0.017 0.000 0.193 479 E C 1.955 178.480 176.600 -0.126 0.000 0.988 479 E CA 1.358 57.609 56.400 -0.249 0.000 0.804 479 E CB -0.070 29.407 29.700 -0.371 0.000 0.745 479 E HN 0.544 nan 8.360 nan 0.000 0.458 480 E N 0.431 120.482 120.200 -0.248 0.000 2.107 480 E HA -0.169 4.171 4.350 -0.017 0.000 0.191 480 E C 1.803 178.338 176.600 -0.108 0.000 0.982 480 E CA 1.263 57.544 56.400 -0.197 0.000 0.809 480 E CB -0.086 29.445 29.700 -0.282 0.000 0.756 480 E HN 0.330 nan 8.360 nan 0.000 0.459 481 H N -0.193 118.881 119.070 0.007 0.000 2.389 481 H HA 0.064 4.610 4.556 -0.017 0.000 0.299 481 H C 1.871 177.272 175.328 0.121 0.000 1.081 481 H CA 1.354 57.452 56.048 0.084 0.000 1.345 481 H CB -0.474 29.348 29.762 0.100 0.000 1.393 481 H HN 0.339 nan 8.280 nan 0.000 0.520 482 A N 1.457 124.418 122.820 0.236 0.000 1.877 482 A HA -0.191 4.119 4.320 -0.017 0.000 0.216 482 A C 2.524 180.327 177.584 0.365 0.000 1.186 482 A CA 1.575 53.764 52.037 0.253 0.000 0.620 482 A CB -0.510 18.681 19.000 0.319 0.000 0.822 482 A HN 0.284 nan 8.150 nan 0.000 0.443 483 R N -0.317 120.347 120.500 0.275 0.000 2.081 483 R HA -0.123 4.206 4.340 -0.017 0.000 0.235 483 R C 2.305 178.763 176.300 0.263 0.000 1.131 483 R CA 1.541 57.797 56.100 0.260 0.000 0.960 483 R CB -0.450 29.918 30.300 0.112 0.000 0.856 483 R HN 0.441 nan 8.270 nan 0.000 0.436 484 A N 0.600 123.551 122.820 0.218 0.000 1.902 484 A HA -0.196 4.114 4.320 -0.017 0.000 0.217 484 A C 1.996 179.689 177.584 0.182 0.000 1.181 484 A CA 1.312 53.479 52.037 0.217 0.000 0.623 484 A CB -0.818 18.305 19.000 0.206 0.000 0.818 484 A HN 0.531 nan 8.150 nan 0.000 0.443 485 F N -0.173 119.783 119.950 0.010 0.000 2.069 485 F HA -0.206 4.310 4.527 -0.017 0.000 0.298 485 F C 1.929 177.628 175.800 -0.168 0.000 1.113 485 F CA 2.054 59.957 58.000 -0.161 0.000 1.214 485 F CB -0.443 38.331 39.000 -0.377 0.000 0.978 485 F HN 0.222 nan 8.300 nan 0.000 0.474 486 F N -0.757 119.310 119.950 0.195 0.000 2.234 486 F HA -0.156 4.360 4.527 -0.017 0.000 0.299 486 F C 2.711 178.535 175.800 0.041 0.000 1.087 486 F CA 1.619 59.667 58.000 0.081 0.000 1.340 486 F CB -0.966 38.150 39.000 0.192 0.000 1.031 486 F HN 0.175 nan 8.300 nan 0.000 0.500 487 H N 0.419 119.565 119.070 0.126 0.000 2.353 487 H HA -0.143 4.403 4.556 -0.017 0.000 0.300 487 H C 2.252 177.567 175.328 -0.023 0.000 1.090 487 H CA 1.358 57.438 56.048 0.054 0.000 1.327 487 H CB -0.103 29.693 29.762 0.056 0.000 1.383 487 H HN 0.227 nan 8.280 nan 0.000 0.508 488 L N 0.576 121.718 121.223 -0.135 0.000 2.042 488 L HA -0.227 4.102 4.340 -0.017 0.000 0.210 488 L C 2.678 179.409 176.870 -0.232 0.000 1.076 488 L CA 0.824 55.517 54.840 -0.246 0.000 0.749 488 L CB -0.263 41.653 42.059 -0.238 0.000 0.893 488 L HN 0.358 nan 8.230 nan 0.000 0.432 489 L N -0.420 120.641 121.223 -0.270 0.000 2.109 489 L HA -0.191 4.139 4.340 -0.017 0.000 0.207 489 L C 2.611 179.438 176.870 -0.072 0.000 1.086 489 L CA 1.242 55.958 54.840 -0.206 0.000 0.760 489 L CB -0.465 41.441 42.059 -0.255 0.000 0.910 489 L HN 0.290 nan 8.230 nan 0.000 0.437 490 K N 0.166 120.564 120.400 -0.004 0.000 2.116 490 K HA 0.032 4.342 4.320 -0.017 0.000 0.203 490 K C 0.348 176.956 176.600 0.014 0.000 1.052 490 K CA 0.899 57.211 56.287 0.041 0.000 0.952 490 K CB 0.302 32.867 32.500 0.108 0.000 0.729 490 K HN 0.307 nan 8.250 nan 0.000 0.446 491 G N -0.050 108.731 108.800 -0.031 0.000 2.693 491 G HA2 0.324 4.273 3.960 -0.017 0.000 0.290 491 G HA3 0.324 4.273 3.960 -0.017 0.000 0.290 491 G C -1.360 173.456 174.900 -0.140 0.000 1.378 491 G CA -0.375 44.686 45.100 -0.066 0.000 1.120 491 G HN 0.352 nan 8.290 nan 0.000 0.609 492 A N 1.754 124.414 122.820 -0.267 0.000 2.380 492 A HA 0.993 5.303 4.320 -0.017 0.000 0.315 492 A C 0.726 178.223 177.584 -0.146 0.000 1.101 492 A CA 0.243 52.053 52.037 -0.377 0.000 0.771 492 A CB 1.399 20.004 19.000 -0.659 0.000 1.287 492 A HN 2.369 nan 8.150 nan 0.000 0.436 493 S N 1.290 116.950 115.700 -0.068 0.000 2.600 493 S HA 0.341 4.801 4.470 -0.017 0.000 0.265 493 S C -1.942 172.637 174.600 -0.035 0.000 1.325 493 S CA -0.576 57.607 58.200 -0.028 0.000 1.002 493 S CB 0.376 63.580 63.200 0.006 0.000 0.921 493 S HN 0.393 nan 8.310 nan 0.000 0.554 494 P HA -0.149 nan 4.420 nan 0.000 0.216 494 P C 1.582 178.878 177.300 -0.006 0.000 1.150 494 P CA 1.319 64.409 63.100 -0.016 0.000 0.837 494 P CB -0.054 31.642 31.700 -0.008 0.000 0.786 495 E N 0.413 120.615 120.200 0.003 0.000 2.208 495 E HA -0.174 4.166 4.350 -0.017 0.000 0.193 495 E C 1.600 178.212 176.600 0.020 0.000 0.988 495 E CA 1.137 57.545 56.400 0.013 0.000 0.828 495 E CB -0.863 28.847 29.700 0.018 0.000 0.763 495 E HN 0.343 nan 8.360 nan 0.000 0.478 496 E N 0.765 120.976 120.200 0.019 0.000 2.072 496 E HA -0.134 4.206 4.350 -0.017 0.000 0.191 496 E C 2.160 178.767 176.600 0.012 0.000 0.985 496 E CA 0.940 57.360 56.400 0.034 0.000 0.801 496 E CB -0.174 29.559 29.700 0.055 0.000 0.750 496 E HN 0.137 nan 8.360 nan 0.000 0.452 497 L N 1.511 122.720 121.223 -0.023 0.000 1.989 497 L HA -0.212 4.117 4.340 -0.017 0.000 0.211 497 L C 2.103 178.979 176.870 0.010 0.000 1.071 497 L CA 1.826 56.653 54.840 -0.021 0.000 0.749 497 L CB -0.205 41.832 42.059 -0.037 0.000 0.890 497 L HN -0.071 nan 8.230 nan 0.000 0.431 498 R N -0.496 120.012 120.500 0.014 0.000 2.120 498 R HA -0.094 4.235 4.340 -0.017 0.000 0.234 498 R C 2.216 178.537 176.300 0.036 0.000 1.123 498 R CA 1.177 57.292 56.100 0.024 0.000 0.975 498 R CB -0.634 29.679 30.300 0.021 0.000 0.866 498 R HN 0.574 nan 8.270 nan 0.000 0.446 499 A N 1.130 123.973 122.820 0.038 0.000 1.930 499 A HA -0.088 4.222 4.320 -0.017 0.000 0.217 499 A C 2.149 179.769 177.584 0.059 0.000 1.175 499 A CA 0.981 53.045 52.037 0.046 0.000 0.627 499 A CB -0.362 18.665 19.000 0.045 0.000 0.815 499 A HN 0.159 nan 8.150 nan 0.000 0.443 500 L N -0.822 120.441 121.223 0.066 0.000 2.056 500 L HA -0.169 4.161 4.340 -0.017 0.000 0.207 500 L C 2.544 179.467 176.870 0.090 0.000 1.078 500 L CA 1.442 56.335 54.840 0.090 0.000 0.749 500 L CB -0.539 41.573 42.059 0.088 0.000 0.901 500 L HN 0.450 nan 8.230 nan 0.000 0.433 501 E N -0.208 120.031 120.200 0.065 0.000 2.110 501 E HA -0.273 4.066 4.350 -0.017 0.000 0.193 501 E C 2.010 178.654 176.600 0.074 0.000 0.988 501 E CA 1.258 57.695 56.400 0.061 0.000 0.804 501 E CB 0.058 29.784 29.700 0.044 0.000 0.745 501 E HN 0.310 nan 8.360 nan 0.000 0.458 502 E N 1.099 121.343 120.200 0.074 0.000 2.112 502 E HA -0.121 4.219 4.350 -0.017 0.000 0.190 502 E C 1.931 178.599 176.600 0.114 0.000 0.979 502 E CA 0.974 57.423 56.400 0.082 0.000 0.814 502 E CB 0.025 29.762 29.700 0.063 0.000 0.762 502 E HN 0.041 nan 8.360 nan 0.000 0.460 503 R N -0.102 120.467 120.500 0.115 0.000 2.073 503 R HA -0.047 4.282 4.340 -0.017 0.000 0.229 503 R C -0.237 176.257 176.300 0.324 0.000 1.120 503 R CA 1.463 57.646 56.100 0.139 0.000 0.967 503 R CB 0.135 30.476 30.300 0.069 0.000 0.862 503 R HN 0.054 nan 8.270 nan 0.000 0.436 504 D N 0.943 121.504 120.400 0.268 0.000 2.460 504 D HA 0.058 4.687 4.640 -0.017 0.000 0.268 504 D C -0.672 175.621 176.300 -0.011 0.000 1.153 504 D CA -0.187 53.916 54.000 0.172 0.000 0.929 504 D CB 0.948 41.861 40.800 0.188 0.000 1.015 504 D HN 0.331 nan 8.370 nan 0.000 0.502 505 N N 0.147 118.850 118.700 0.004 0.000 2.275 505 N HA 0.102 4.832 4.740 -0.017 0.000 0.236 505 N C -2.447 172.998 175.510 -0.108 0.000 1.154 505 N CA -0.889 52.161 53.050 0.001 0.000 0.866 505 N CB 0.143 38.682 38.487 0.087 0.000 1.093 505 N HN 0.119 nan 8.380 nan 0.000 0.515 506 P HA 0.217 nan 4.420 nan 0.000 0.274 506 P C -0.466 176.569 177.300 -0.441 0.000 1.231 506 P CA -0.133 62.605 63.100 -0.603 0.000 0.790 506 P CB 0.296 31.310 31.700 -1.143 0.000 0.951 507 F N -1.211 118.744 119.950 0.008 0.000 2.494 507 F HA -0.115 4.402 4.527 -0.017 0.000 0.419 507 F C -1.271 174.527 175.800 -0.004 0.000 1.145 507 F CA -0.652 57.342 58.000 -0.010 0.000 1.347 507 F CB -2.002 36.987 39.000 -0.019 0.000 1.973 507 F HN 0.308 nan 8.300 nan 0.000 0.778 508 P HA -0.152 nan 4.420 nan 0.000 0.222 508 P C 0.530 177.874 177.300 0.074 0.000 1.147 508 P CA 1.568 64.713 63.100 0.076 0.000 0.790 508 P CB 0.250 31.981 31.700 0.051 0.000 0.780 509 E N -0.472 119.776 120.200 0.080 0.000 2.496 509 E HA 0.339 4.678 4.350 -0.017 0.000 0.200 509 E C 0.199 176.826 176.600 0.045 0.000 1.016 509 E CA -0.569 55.860 56.400 0.047 0.000 0.962 509 E CB 0.196 29.908 29.700 0.020 0.000 1.071 509 E HN 0.119 nan 8.360 nan 0.000 0.457 510 A N 1.916 124.786 122.820 0.084 0.000 2.580 510 A HA -0.060 4.249 4.320 -0.017 0.000 0.244 510 A C -0.001 177.607 177.584 0.040 0.000 1.045 510 A CA 0.390 52.461 52.037 0.057 0.000 0.761 510 A CB 0.080 19.148 19.000 0.113 0.000 0.962 510 A HN 0.105 nan 8.150 nan 0.000 0.512 511 D N 3.371 123.778 120.400 0.012 0.000 2.464 511 D HA 0.434 5.064 4.640 -0.017 0.000 0.243 511 D C -2.033 174.315 176.300 0.081 0.000 1.104 511 D CA -2.058 51.959 54.000 0.029 0.000 0.883 511 D CB 1.339 42.133 40.800 -0.008 0.000 1.050 511 D HN 0.116 nan 8.370 nan 0.000 0.524 512 P HA -0.057 nan 4.420 nan 0.000 0.225 512 P C 1.014 178.466 177.300 0.253 0.000 1.148 512 P CA 0.544 63.796 63.100 0.253 0.000 0.779 512 P CB 0.380 32.172 31.700 0.153 0.000 0.780 513 R N -0.807 119.778 120.500 0.142 0.000 2.293 513 R HA 0.006 4.335 4.340 -0.017 0.000 0.219 513 R C 1.940 178.321 176.300 0.134 0.000 1.091 513 R CA 0.682 56.858 56.100 0.128 0.000 1.004 513 R CB -1.515 28.839 30.300 0.089 0.000 0.865 513 R HN 0.268 nan 8.270 nan 0.000 0.469 514 L N -1.158 120.107 121.223 0.071 0.000 2.201 514 L HA -0.148 4.182 4.340 -0.017 0.000 0.212 514 L C 1.083 177.943 176.870 -0.017 0.000 1.105 514 L CA 1.013 55.862 54.840 0.016 0.000 0.775 514 L CB -0.277 41.638 42.059 -0.239 0.000 0.913 514 L HN 0.220 nan 8.230 nan 0.000 0.440 515 Y N -0.609 119.781 120.300 0.151 0.000 2.578 515 Y HA -0.024 4.516 4.550 -0.017 0.000 0.297 515 Y C 1.888 177.865 175.900 0.128 0.000 1.176 515 Y CA 0.376 58.555 58.100 0.132 0.000 1.315 515 Y CB -0.121 38.379 38.460 0.068 0.000 1.031 515 Y HN 0.138 nan 8.280 nan 0.000 0.524 516 L N -1.564 119.788 121.223 0.215 0.000 2.616 516 L HA 0.089 4.418 4.340 -0.017 0.000 0.229 516 L C 1.078 178.009 176.870 0.103 0.000 1.110 516 L CA -0.286 54.636 54.840 0.136 0.000 0.884 516 L CB -0.419 41.700 42.059 0.099 0.000 1.115 516 L HN 0.159 nan 8.230 nan 0.000 0.481 517 F N 0.000 119.935 119.950 -0.026 0.000 2.286 517 F HA 0.000 4.517 4.527 -0.017 0.000 0.279 517 F CA 0.000 57.876 58.000 -0.207 0.000 1.383 517 F CB 0.000 38.779 39.000 -0.368 0.000 1.145 517 F HN 0.000 nan 8.300 nan 0.000 0.574