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 1jti_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSIGAASMEF CFDVFKELKV HHANENIFYC PIAIMSALAM VYLGAKDSTR DATA SEQUENCE TQINKVVRFD KLPGFGDSIE AQcGTSVNVH SSLRDILNQI TKXNDVYSFS DATA SEQUENCE LASRLYAEER YPILPEYLQc VKELYRGGLE PINFQTAADQ ARELINSWVE DATA SEQUENCE SQTNGIIRNV LQPSSVDSQT AMVLVNAIVF KGLWEKTFKD EDTQAMPFRV DATA SEQUENCE TEQESKPVQM MYQIGLFRVA SMASEKMKIL ELPFASGTMS MLVLLPDEVS DATA SEQUENCE GLEQLESIIN FEKLTEWTSS NVMEERKIKV YLPRMKMEEK YNLTSVLMAM DATA SEQUENCE GITDVFSSSA NLSGISSAES LKISQAVHAA HAEINEAGTE VVGSAEAGVD DATA SEQUENCE AAXXXEEFRA DHPFLFCIKH IATNAVLFFG RCVSP 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.903 3.960 -0.095 0.000 0.244 1 G C 0.000 174.902 174.900 0.003 0.000 0.946 1 G CA 0.000 45.107 45.100 0.012 0.000 0.502 2 S N -1.170 114.517 115.700 -0.021 0.000 2.735 2 S HA 0.245 4.658 4.470 -0.095 0.000 0.279 2 S C 0.239 174.805 174.600 -0.057 0.000 0.989 2 S CA 0.039 58.222 58.200 -0.028 0.000 0.883 2 S CB 0.387 63.585 63.200 -0.004 0.000 1.117 2 S HN 0.900 nan 8.310 nan 0.000 0.458 3 I N 2.302 122.837 120.570 -0.059 0.000 2.423 3 I HA 0.103 4.215 4.170 -0.095 0.000 0.254 3 I C 2.053 178.111 176.117 -0.098 0.000 1.151 3 I CA 2.380 63.634 61.300 -0.077 0.000 1.421 3 I CB -0.857 37.094 38.000 -0.082 0.000 1.079 3 I HN 0.930 nan 8.210 nan 0.000 0.431 4 G N -0.121 108.631 108.800 -0.079 0.000 2.464 4 G HA2 -0.241 3.662 3.960 -0.095 0.000 0.214 4 G HA3 -0.241 3.662 3.960 -0.095 0.000 0.214 4 G C 1.766 176.541 174.900 -0.208 0.000 1.218 4 G CA 0.747 45.799 45.100 -0.081 0.000 0.794 4 G HN 0.548 nan 8.290 nan 0.000 0.542 5 A N 1.048 123.711 122.820 -0.261 0.000 1.940 5 A HA 0.181 4.443 4.320 -0.095 0.000 0.219 5 A C 2.782 180.014 177.584 -0.586 0.000 1.176 5 A CA 2.464 54.080 52.037 -0.702 0.000 0.631 5 A CB -0.752 18.040 19.000 -0.346 0.000 0.814 5 A HN 0.842 nan 8.150 nan 0.000 0.446 6 A N 0.315 122.962 122.820 -0.289 0.000 1.873 6 A HA -0.076 4.187 4.320 -0.095 0.000 0.215 6 A C 2.517 179.998 177.584 -0.171 0.000 1.186 6 A CA 2.281 54.201 52.037 -0.195 0.000 0.616 6 A CB -1.040 17.897 19.000 -0.106 0.000 0.823 6 A HN 1.020 nan 8.150 nan 0.000 0.442 7 S N -0.620 114.980 115.700 -0.167 0.000 2.399 7 S HA -0.171 4.242 4.470 -0.095 0.000 0.231 7 S C 1.978 176.474 174.600 -0.172 0.000 1.022 7 S CA 1.666 59.795 58.200 -0.118 0.000 0.983 7 S CB -0.485 62.637 63.200 -0.130 0.000 0.803 7 S HN 0.388 nan 8.310 nan 0.000 0.480 8 M N 1.765 121.185 119.600 -0.301 0.000 2.064 8 M HA -0.018 4.405 4.480 -0.095 0.000 0.260 8 M C 2.429 178.579 176.300 -0.250 0.000 1.073 8 M CA 1.588 56.677 55.300 -0.352 0.000 1.124 8 M CB -1.231 31.087 32.600 -0.469 0.000 1.326 8 M HN 0.487 nan 8.290 nan 0.000 0.410 9 E N -0.554 119.531 120.200 -0.193 0.000 2.110 9 E HA -0.212 4.080 4.350 -0.095 0.000 0.193 9 E C 1.859 178.451 176.600 -0.013 0.000 0.988 9 E CA 1.157 57.556 56.400 -0.002 0.000 0.804 9 E CB -0.346 29.333 29.700 -0.036 0.000 0.745 9 E HN 0.378 nan 8.360 nan 0.000 0.458 10 F N 1.396 121.235 119.950 -0.186 0.000 2.134 10 F HA -0.227 4.234 4.527 -0.111 0.000 0.299 10 F C 2.476 178.172 175.800 -0.172 0.000 1.097 10 F CA 1.183 59.076 58.000 -0.178 0.000 1.264 10 F CB -0.583 38.290 39.000 -0.211 0.000 1.001 10 F HN 0.064 nan 8.300 nan 0.000 0.479 11 C N 0.416 119.516 119.300 -0.334 0.000 2.413 11 C HA -0.230 4.173 4.460 -0.095 0.000 0.277 11 C C 2.807 177.479 174.990 -0.531 0.000 1.228 11 C CA 1.389 60.106 59.018 -0.502 0.000 1.731 11 C CB -1.751 25.552 27.740 -0.729 0.000 2.042 11 C HN 0.487 nan 8.230 nan 0.000 0.468 12 F N 1.382 121.159 119.950 -0.288 0.000 2.186 12 F HA -0.030 4.572 4.527 0.124 0.000 0.299 12 F C 2.363 178.093 175.800 -0.116 0.000 1.090 12 F CA 1.819 59.701 58.000 -0.197 0.000 1.307 12 F CB -0.941 37.984 39.000 -0.125 0.000 1.019 12 F HN 0.280 nan 8.300 nan 0.000 0.489 13 D N -0.065 120.320 120.400 -0.025 0.000 2.144 13 D HA -0.119 4.463 4.640 -0.095 0.000 0.199 13 D C 2.551 178.737 176.300 -0.190 0.000 0.984 13 D CA 1.080 55.027 54.000 -0.088 0.000 0.834 13 D CB -0.367 40.364 40.800 -0.115 0.000 0.955 13 D HN 0.111 nan 8.370 nan 0.000 0.465 14 V N 0.964 120.649 119.914 -0.382 0.000 2.358 14 V HA -0.213 3.850 4.120 -0.095 0.000 0.246 14 V C 2.155 178.102 176.094 -0.245 0.000 1.047 14 V CA 1.053 63.083 62.300 -0.450 0.000 1.035 14 V CB -0.509 30.859 31.823 -0.759 0.000 0.658 14 V HN 0.063 nan 8.190 nan 0.000 0.452 15 F N 1.589 121.400 119.950 -0.230 0.000 2.069 15 F HA -0.213 4.292 4.527 -0.038 0.000 0.298 15 F C 2.284 178.079 175.800 -0.008 0.000 1.113 15 F CA 1.993 59.971 58.000 -0.037 0.000 1.214 15 F CB -0.354 38.697 39.000 0.086 0.000 0.978 15 F HN -0.010 nan 8.300 nan 0.000 0.474 16 K N 0.155 120.534 120.400 -0.036 0.000 2.360 16 K HA -0.195 4.068 4.320 -0.095 0.000 0.201 16 K C 1.854 178.355 176.600 -0.165 0.000 1.046 16 K CA 1.294 57.503 56.287 -0.129 0.000 0.940 16 K CB -0.226 32.262 32.500 -0.020 0.000 0.748 16 K HN 0.297 nan 8.250 nan 0.000 0.465 17 E N -0.781 119.329 120.200 -0.150 0.000 2.290 17 E HA 0.147 4.440 4.350 -0.095 0.000 0.197 17 E C 1.463 178.029 176.600 -0.056 0.000 0.948 17 E CA 0.389 56.729 56.400 -0.099 0.000 0.895 17 E CB 0.129 29.779 29.700 -0.084 0.000 0.865 17 E HN 0.143 nan 8.360 nan 0.000 0.486 18 L N 1.011 122.160 121.223 -0.123 0.000 2.095 18 L HA -0.083 4.200 4.340 -0.095 0.000 0.204 18 L C 2.291 179.166 176.870 0.008 0.000 1.080 18 L CA 1.505 56.331 54.840 -0.023 0.000 0.759 18 L CB -0.452 41.494 42.059 -0.188 0.000 0.914 18 L HN 0.167 nan 8.230 nan 0.000 0.439 19 K N -0.355 119.894 120.400 -0.253 0.000 2.211 19 K HA -0.134 4.129 4.320 -0.095 0.000 0.204 19 K C 1.694 178.197 176.600 -0.161 0.000 1.047 19 K CA 1.357 57.488 56.287 -0.259 0.000 0.935 19 K CB -0.521 31.605 32.500 -0.623 0.000 0.728 19 K HN 0.097 nan 8.250 nan 0.000 0.452 20 V N 1.584 121.360 119.914 -0.230 0.000 2.667 20 V HA -0.139 3.923 4.120 -0.095 0.000 0.252 20 V C 1.678 177.517 176.094 -0.424 0.000 1.065 20 V CA 1.353 63.453 62.300 -0.333 0.000 1.083 20 V CB -0.600 30.951 31.823 -0.454 0.000 0.692 20 V HN 0.479 nan 8.190 nan 0.000 0.468 21 H N -1.720 117.289 119.070 -0.101 0.000 2.586 21 H HA 0.266 4.764 4.556 -0.098 0.000 0.273 21 H C 0.306 175.353 175.328 -0.469 0.000 0.997 21 H CA 0.334 56.236 56.048 -0.243 0.000 1.177 21 H CB 0.449 30.056 29.762 -0.258 0.000 1.471 21 H HN 0.503 nan 8.280 nan 0.000 0.538 22 H N 0.009 119.136 119.070 0.095 0.000 2.716 22 H HA 0.398 4.899 4.556 -0.092 0.000 0.230 22 H C 0.065 175.434 175.328 0.068 0.000 1.401 22 H CA -0.319 55.796 56.048 0.111 0.000 1.168 22 H CB 0.368 30.244 29.762 0.190 0.000 1.935 22 H HN 0.146 nan 8.280 nan 0.000 0.538 23 A N 0.810 123.676 122.820 0.077 0.000 2.407 23 A HA 0.166 4.429 4.320 -0.095 0.000 0.248 23 A C 0.845 178.478 177.584 0.083 0.000 1.082 23 A CA -0.069 52.002 52.037 0.057 0.000 0.785 23 A CB 0.044 19.049 19.000 0.008 0.000 1.020 23 A HN 0.705 nan 8.150 nan 0.000 0.489 24 N N -0.504 118.248 118.700 0.088 0.000 2.713 24 N HA -0.168 4.515 4.740 -0.095 0.000 0.251 24 N C -0.380 175.190 175.510 0.099 0.000 1.117 24 N CA 2.004 55.106 53.050 0.088 0.000 0.770 24 N CB -1.069 37.458 38.487 0.066 0.000 1.137 24 N HN 0.860 nan 8.380 nan 0.000 0.566 25 E N -0.690 119.589 120.200 0.132 0.000 2.320 25 E HA 0.389 4.682 4.350 -0.095 0.000 0.264 25 E C -0.412 176.274 176.600 0.144 0.000 0.923 25 E CA -1.018 55.465 56.400 0.138 0.000 0.796 25 E CB 0.907 30.726 29.700 0.198 0.000 1.262 25 E HN 0.091 nan 8.360 nan 0.000 0.428 26 N N 0.846 119.611 118.700 0.110 0.000 2.444 26 N HA 0.316 4.999 4.740 -0.095 0.000 0.255 26 N C -0.623 175.007 175.510 0.200 0.000 1.255 26 N CA 0.344 53.463 53.050 0.115 0.000 0.933 26 N CB 0.576 39.099 38.487 0.060 0.000 1.143 26 N HN 0.346 nan 8.380 nan 0.000 0.453 27 I N 1.122 121.850 120.570 0.264 0.000 2.569 27 I HA 0.375 4.488 4.170 -0.095 0.000 0.290 27 I C -1.378 174.999 176.117 0.433 0.000 1.088 27 I CA -0.690 60.847 61.300 0.395 0.000 1.047 27 I CB 1.764 40.043 38.000 0.465 0.000 1.237 27 I HN 0.301 nan 8.210 nan 0.000 0.421 28 F N 8.570 128.740 119.950 0.367 0.000 2.605 28 F HA 0.609 5.086 4.527 -0.083 0.000 0.320 28 F C -1.655 174.416 175.800 0.452 0.000 1.159 28 F CA -0.487 57.648 58.000 0.225 0.000 0.999 28 F CB 1.272 40.343 39.000 0.118 0.000 1.258 28 F HN 0.380 nan 8.300 nan 0.000 0.464 29 Y N 2.438 122.427 120.300 -0.518 0.000 2.670 29 Y HA 0.605 5.135 4.550 -0.033 0.000 0.334 29 Y C -1.567 174.234 175.900 -0.166 0.000 1.185 29 Y CA -2.291 55.713 58.100 -0.159 0.000 1.053 29 Y CB 0.954 39.490 38.460 0.127 0.000 1.298 29 Y HN 0.691 nan 8.280 nan 0.000 0.459 30 C N 4.165 123.682 119.300 0.362 0.000 2.250 30 C HA 0.527 4.930 4.460 -0.095 0.000 0.319 30 C C -1.629 173.416 174.990 0.092 0.000 1.124 30 C CA -2.290 56.849 59.018 0.202 0.000 1.527 30 C CB -0.267 27.729 27.740 0.428 0.000 2.001 30 C HN 0.774 nan 8.230 nan 0.000 0.435 31 P HA -0.164 nan 4.420 nan 0.000 0.216 31 P C 1.764 179.098 177.300 0.056 0.000 1.153 31 P CA 1.516 64.696 63.100 0.133 0.000 0.858 31 P CB 0.042 31.765 31.700 0.039 0.000 0.789 32 I N -0.441 120.099 120.570 -0.050 0.000 2.208 32 I HA -0.224 3.888 4.170 -0.095 0.000 0.245 32 I C 2.170 178.288 176.117 0.001 0.000 1.097 32 I CA 1.855 63.124 61.300 -0.052 0.000 1.363 32 I CB -1.752 36.189 38.000 -0.099 0.000 1.051 32 I HN -0.074 nan 8.210 nan 0.000 0.413 33 A N 0.327 123.166 122.820 0.031 0.000 2.015 33 A HA -0.097 4.165 4.320 -0.095 0.000 0.219 33 A C 2.333 179.905 177.584 -0.019 0.000 1.163 33 A CA 1.002 53.069 52.037 0.051 0.000 0.646 33 A CB -0.511 18.565 19.000 0.126 0.000 0.806 33 A HN 0.403 nan 8.150 nan 0.000 0.448 34 I N -1.047 119.482 120.570 -0.068 0.000 2.406 34 I HA -0.207 3.906 4.170 -0.095 0.000 0.249 34 I C 2.533 178.602 176.117 -0.081 0.000 1.122 34 I CA 1.089 62.352 61.300 -0.063 0.000 1.431 34 I CB -0.277 37.732 38.000 0.015 0.000 1.087 34 I HN 0.296 nan 8.210 nan 0.000 0.424 35 M N -0.259 119.256 119.600 -0.141 0.000 2.229 35 M HA -0.163 4.260 4.480 -0.095 0.000 0.264 35 M C 2.526 178.788 176.300 -0.064 0.000 1.063 35 M CA 1.343 56.516 55.300 -0.212 0.000 1.114 35 M CB -0.389 32.076 32.600 -0.224 0.000 1.387 35 M HN 0.189 nan 8.290 nan 0.000 0.420 36 S N 0.677 116.343 115.700 -0.057 0.000 2.348 36 S HA -0.132 4.281 4.470 -0.095 0.000 0.221 36 S C 2.043 176.547 174.600 -0.160 0.000 1.033 36 S CA 1.547 59.701 58.200 -0.078 0.000 1.010 36 S CB -0.168 63.034 63.200 0.003 0.000 0.891 36 S HN 0.493 nan 8.310 nan 0.000 0.442 37 A N 1.100 123.874 122.820 -0.077 0.000 1.902 37 A HA 0.022 4.284 4.320 -0.095 0.000 0.217 37 A C 2.132 179.687 177.584 -0.048 0.000 1.181 37 A CA 1.532 53.535 52.037 -0.056 0.000 0.623 37 A CB -0.870 18.138 19.000 0.014 0.000 0.818 37 A HN 0.536 nan 8.150 nan 0.000 0.443 38 L N -0.434 120.774 121.223 -0.025 0.000 2.131 38 L HA -0.048 4.235 4.340 -0.095 0.000 0.210 38 L C 2.743 179.670 176.870 0.094 0.000 1.092 38 L CA 1.731 56.587 54.840 0.027 0.000 0.759 38 L CB -0.794 41.247 42.059 -0.030 0.000 0.903 38 L HN 0.382 nan 8.230 nan 0.000 0.435 39 A N -1.072 121.742 122.820 -0.010 0.000 1.898 39 A HA -0.216 4.046 4.320 -0.095 0.000 0.216 39 A C 2.241 179.780 177.584 -0.074 0.000 1.181 39 A CA 1.880 53.824 52.037 -0.156 0.000 0.620 39 A CB -0.450 18.329 19.000 -0.368 0.000 0.819 39 A HN 0.450 nan 8.150 nan 0.000 0.442 40 M N -0.774 118.668 119.600 -0.263 0.000 2.296 40 M HA -0.099 4.324 4.480 -0.095 0.000 0.265 40 M C 2.003 178.384 176.300 0.135 0.000 1.064 40 M CA 1.020 56.230 55.300 -0.151 0.000 1.109 40 M CB -0.371 32.083 32.600 -0.245 0.000 1.396 40 M HN 0.261 nan 8.290 nan 0.000 0.430 41 V N -0.826 119.154 119.914 0.110 0.000 2.346 41 V HA -0.253 3.810 4.120 -0.095 0.000 0.244 41 V C 2.117 178.311 176.094 0.166 0.000 1.037 41 V CA 1.599 63.968 62.300 0.114 0.000 1.029 41 V CB -0.760 31.093 31.823 0.051 0.000 0.663 41 V HN 0.390 nan 8.190 nan 0.000 0.454 42 Y N 0.361 120.711 120.300 0.084 0.000 2.241 42 Y HA -0.250 4.246 4.550 -0.089 0.000 0.286 42 Y C 2.252 178.251 175.900 0.164 0.000 1.166 42 Y CA 1.543 59.713 58.100 0.117 0.000 1.203 42 Y CB -0.201 38.352 38.460 0.155 0.000 0.977 42 Y HN 0.152 nan 8.280 nan 0.000 0.529 43 L N -0.757 120.628 121.223 0.270 0.000 2.079 43 L HA -0.151 4.132 4.340 -0.095 0.000 0.210 43 L C 1.776 178.718 176.870 0.119 0.000 1.081 43 L CA 1.779 56.757 54.840 0.229 0.000 0.752 43 L CB -0.723 41.536 42.059 0.333 0.000 0.896 43 L HN 0.455 nan 8.230 nan 0.000 0.433 44 G N -1.241 107.629 108.800 0.117 0.000 3.805 44 G HA2 0.490 4.393 3.960 -0.095 0.000 0.290 44 G HA3 0.490 4.393 3.960 -0.095 0.000 0.290 44 G C -0.086 174.753 174.900 -0.102 0.000 1.077 44 G CA 0.367 45.439 45.100 -0.046 0.000 0.852 44 G HN 0.364 nan 8.290 nan 0.000 0.531 45 A N 0.500 123.256 122.820 -0.107 0.000 2.340 45 A HA 0.891 5.154 4.320 -0.095 0.000 0.331 45 A C -0.147 177.364 177.584 -0.120 0.000 1.140 45 A CA -0.626 51.349 52.037 -0.103 0.000 0.801 45 A CB 1.856 20.817 19.000 -0.066 0.000 1.234 45 A HN 0.217 nan 8.150 nan 0.000 0.469 46 K N 0.464 120.818 120.400 -0.077 0.000 2.409 46 K HA 0.449 4.712 4.320 -0.095 0.000 0.252 46 K C -0.690 175.892 176.600 -0.031 0.000 1.036 46 K CA -0.799 55.452 56.287 -0.060 0.000 0.871 46 K CB 1.489 33.961 32.500 -0.048 0.000 1.374 46 K HN 0.963 nan 8.250 nan 0.000 0.459 47 D N 0.252 120.642 120.400 -0.017 0.000 3.301 47 D HA -0.254 4.328 4.640 -0.095 0.000 0.217 47 D C 0.996 177.303 176.300 0.013 0.000 1.548 47 D CA 1.850 55.850 54.000 -0.001 0.000 1.118 47 D CB -0.687 40.111 40.800 -0.004 0.000 0.684 47 D HN 0.630 nan 8.370 nan 0.000 0.821 48 S N -1.016 114.693 115.700 0.016 0.000 2.383 48 S HA -0.186 4.227 4.470 -0.095 0.000 0.229 48 S C 1.948 176.566 174.600 0.030 0.000 1.030 48 S CA 2.748 60.964 58.200 0.026 0.000 1.002 48 S CB -0.739 62.473 63.200 0.021 0.000 0.829 48 S HN 0.564 nan 8.310 nan 0.000 0.467 49 T N 2.384 116.947 114.554 0.015 0.000 2.607 49 T HA -0.190 4.102 4.350 -0.095 0.000 0.267 49 T C 1.909 176.635 174.700 0.045 0.000 1.049 49 T CA 1.860 63.965 62.100 0.009 0.000 1.162 49 T CB -0.404 68.452 68.868 -0.019 0.000 0.863 49 T HN 0.516 nan 8.240 nan 0.000 0.424 50 R N 0.006 120.530 120.500 0.040 0.000 2.070 50 R HA -0.137 4.146 4.340 -0.095 0.000 0.233 50 R C 2.757 179.185 176.300 0.214 0.000 1.137 50 R CA 2.037 58.188 56.100 0.085 0.000 0.945 50 R CB -0.879 29.383 30.300 -0.063 0.000 0.845 50 R HN 0.343 nan 8.270 nan 0.000 0.430 51 T N 0.115 114.749 114.554 0.133 0.000 2.759 51 T HA -0.228 4.065 4.350 -0.095 0.000 0.269 51 T C 1.816 176.586 174.700 0.116 0.000 1.042 51 T CA 1.858 64.041 62.100 0.138 0.000 1.140 51 T CB -0.135 68.783 68.868 0.083 0.000 0.864 51 T HN 0.444 nan 8.240 nan 0.000 0.455 52 Q N -0.377 119.476 119.800 0.088 0.000 2.124 52 Q HA -0.044 4.239 4.340 -0.095 0.000 0.202 52 Q C 2.297 178.325 176.000 0.047 0.000 0.977 52 Q CA 1.379 57.217 55.803 0.058 0.000 0.850 52 Q CB -0.193 28.573 28.738 0.048 0.000 0.901 52 Q HN 0.617 nan 8.270 nan 0.000 0.429 53 I N 0.774 121.393 120.570 0.083 0.000 2.163 53 I HA -0.290 3.823 4.170 -0.095 0.000 0.240 53 I C 2.426 178.471 176.117 -0.119 0.000 1.081 53 I CA 1.308 62.621 61.300 0.022 0.000 1.353 53 I CB -0.555 37.538 38.000 0.155 0.000 1.054 53 I HN 0.415 nan 8.210 nan 0.000 0.407 54 N N 1.152 119.841 118.700 -0.019 0.000 2.289 54 N HA -0.241 4.442 4.740 -0.095 0.000 0.184 54 N C 1.847 177.291 175.510 -0.111 0.000 1.016 54 N CA 0.991 53.971 53.050 -0.117 0.000 0.872 54 N CB 0.079 38.631 38.487 0.108 0.000 0.973 54 N HN 0.254 nan 8.380 nan 0.000 0.433 55 K N 0.133 120.508 120.400 -0.041 0.000 2.439 55 K HA 0.012 4.275 4.320 -0.095 0.000 0.197 55 K C 1.417 177.982 176.600 -0.059 0.000 1.041 55 K CA 0.394 56.663 56.287 -0.031 0.000 0.970 55 K CB 0.398 32.901 32.500 0.005 0.000 0.773 55 K HN 0.028 nan 8.250 nan 0.000 0.479 56 V N -0.792 119.063 119.914 -0.100 0.000 3.212 56 V HA -0.049 4.014 4.120 -0.095 0.000 0.244 56 V C 1.560 177.577 176.094 -0.130 0.000 1.151 56 V CA 0.537 62.790 62.300 -0.078 0.000 1.119 56 V CB 1.143 32.945 31.823 -0.035 0.000 0.838 56 V HN 0.020 nan 8.190 nan 0.000 0.470 57 V N -0.563 119.131 119.914 -0.367 0.000 2.992 57 V HA 0.114 4.177 4.120 -0.095 0.000 0.250 57 V C 1.205 176.972 176.094 -0.544 0.000 1.090 57 V CA 0.525 62.443 62.300 -0.636 0.000 1.101 57 V CB -0.649 30.284 31.823 -1.484 0.000 0.743 57 V HN 0.647 nan 8.190 nan 0.000 0.468 58 R N 0.044 120.303 120.500 -0.403 0.000 3.416 58 R HA -0.237 4.046 4.340 -0.095 0.000 0.263 58 R C 0.629 176.882 176.300 -0.077 0.000 1.053 58 R CA 1.214 57.208 56.100 -0.177 0.000 0.705 58 R CB -2.451 27.784 30.300 -0.110 0.000 1.124 58 R HN 0.776 nan 8.270 nan 0.000 0.444 59 F N -3.319 116.483 119.950 -0.247 0.000 2.682 59 F HA 0.366 4.834 4.527 -0.099 0.000 0.308 59 F C 0.361 176.025 175.800 -0.227 0.000 1.093 59 F CA -1.087 56.762 58.000 -0.252 0.000 1.244 59 F CB 0.629 39.437 39.000 -0.321 0.000 1.052 59 F HN -0.147 nan 8.300 nan 0.000 0.573 60 D N 3.014 123.526 120.400 0.187 0.000 2.453 60 D HA 0.140 4.722 4.640 -0.095 0.000 0.238 60 D C -0.746 175.580 176.300 0.044 0.000 1.088 60 D CA -0.387 53.627 54.000 0.024 0.000 0.854 60 D CB 1.277 42.128 40.800 0.085 0.000 1.076 60 D HN 0.088 nan 8.370 nan 0.000 0.533 61 K N 4.553 124.953 120.400 -0.001 0.000 2.419 61 K HA 0.119 4.382 4.320 -0.095 0.000 0.282 61 K C -0.084 176.514 176.600 -0.004 0.000 1.056 61 K CA -0.161 56.120 56.287 -0.009 0.000 1.035 61 K CB 0.310 32.787 32.500 -0.038 0.000 0.921 61 K HN 0.491 nan 8.250 nan 0.000 0.472 62 L N 6.389 127.623 121.223 0.018 0.000 2.453 62 L HA 0.327 4.610 4.340 -0.095 0.000 0.261 62 L C -1.251 175.626 176.870 0.011 0.000 1.179 62 L CA -1.903 52.956 54.840 0.032 0.000 0.813 62 L CB 0.159 42.248 42.059 0.049 0.000 1.110 62 L HN 0.706 nan 8.230 nan 0.000 0.466 63 P HA 0.208 nan 4.420 nan 0.000 0.274 63 P C -0.523 176.820 177.300 0.072 0.000 1.256 63 P CA -0.353 62.796 63.100 0.083 0.000 0.795 63 P CB 0.807 32.596 31.700 0.149 0.000 1.038 64 G N -0.415 108.472 108.800 0.144 0.000 2.371 64 G HA2 0.444 4.347 3.960 -0.095 0.000 0.326 64 G HA3 0.444 4.347 3.960 -0.095 0.000 0.326 64 G C -0.416 174.697 174.900 0.355 0.000 1.127 64 G CA -0.763 44.432 45.100 0.158 0.000 0.885 64 G HN 0.478 nan 8.290 nan 0.000 0.477 65 F N 1.567 121.533 119.950 0.026 0.000 2.798 65 F HA 0.381 4.852 4.527 -0.093 0.000 0.291 65 F C 1.372 177.174 175.800 0.003 0.000 1.174 65 F CA 0.286 58.293 58.000 0.012 0.000 1.392 65 F CB 0.328 39.333 39.000 0.009 0.000 0.966 65 F HN 0.830 nan 8.300 nan 0.000 0.509 66 G N 0.591 109.490 108.800 0.165 0.000 2.640 66 G HA2 -0.180 3.723 3.960 -0.095 0.000 0.686 66 G HA3 -0.180 3.723 3.960 -0.095 0.000 0.686 66 G C -0.479 174.447 174.900 0.044 0.000 1.229 66 G CA -1.000 44.144 45.100 0.074 0.000 0.796 66 G HN 0.158 nan 8.290 nan 0.000 0.654 67 D N 0.078 120.484 120.400 0.009 0.000 2.349 67 D HA 0.078 4.660 4.640 -0.095 0.000 0.224 67 D C 1.566 177.851 176.300 -0.025 0.000 1.029 67 D CA 1.023 55.007 54.000 -0.026 0.000 0.879 67 D CB 0.485 41.260 40.800 -0.042 0.000 0.906 67 D HN 0.516 nan 8.370 nan 0.000 0.528 68 S N 0.579 116.274 115.700 -0.007 0.000 2.525 68 S HA 0.052 4.465 4.470 -0.095 0.000 0.285 68 S C 1.662 176.251 174.600 -0.018 0.000 1.283 68 S CA -0.546 57.649 58.200 -0.009 0.000 1.072 68 S CB 0.303 63.502 63.200 -0.002 0.000 0.867 68 S HN 0.063 nan 8.310 nan 0.000 0.492 69 I N 4.130 124.690 120.570 -0.016 0.000 2.264 69 I HA -0.193 3.920 4.170 -0.095 0.000 0.248 69 I C 2.121 178.210 176.117 -0.047 0.000 1.111 69 I CA 1.376 62.658 61.300 -0.029 0.000 1.382 69 I CB -0.275 37.733 38.000 0.013 0.000 1.060 69 I HN 0.638 nan 8.210 nan 0.000 0.418 70 E N 1.012 121.197 120.200 -0.026 0.000 2.106 70 E HA -0.142 4.151 4.350 -0.095 0.000 0.192 70 E C 2.223 178.813 176.600 -0.016 0.000 0.984 70 E CA 1.319 57.704 56.400 -0.024 0.000 0.806 70 E CB -0.310 29.382 29.700 -0.013 0.000 0.750 70 E HN 0.496 nan 8.360 nan 0.000 0.458 71 A N 1.044 123.864 122.820 -0.001 0.000 1.828 71 A HA -0.288 3.975 4.320 -0.095 0.000 0.215 71 A C 2.121 179.717 177.584 0.019 0.000 1.203 71 A CA 1.763 53.821 52.037 0.035 0.000 0.614 71 A CB -0.825 18.210 19.000 0.059 0.000 0.844 71 A HN 0.198 nan 8.150 nan 0.000 0.445 72 Q N -0.926 118.865 119.800 -0.015 0.000 2.082 72 Q HA -0.266 4.017 4.340 -0.095 0.000 0.211 72 Q C 2.229 178.159 176.000 -0.116 0.000 1.002 72 Q CA 2.102 57.868 55.803 -0.062 0.000 0.868 72 Q CB -0.570 28.068 28.738 -0.168 0.000 0.931 72 Q HN 0.784 nan 8.270 nan 0.000 0.414 73 c N -1.034 117.477 118.600 -0.148 0.000 2.500 73 c HA 0.116 4.629 4.570 -0.095 0.000 0.273 73 c C 1.802 175.844 174.090 -0.081 0.000 1.428 73 c CA 0.351 56.593 56.329 -0.145 0.000 1.766 73 c CB -0.727 41.693 42.510 -0.151 0.000 1.817 73 c HN 0.597 nan 8.230 nan 0.000 0.543 74 G N -0.174 108.599 108.800 -0.045 0.000 3.993 74 G HA2 0.248 4.150 3.960 -0.095 0.000 0.294 74 G HA3 0.248 4.150 3.960 -0.095 0.000 0.294 74 G C 0.900 175.806 174.900 0.011 0.000 1.043 74 G CA 0.262 45.351 45.100 -0.019 0.000 0.839 74 G HN 0.364 nan 8.290 nan 0.000 0.516 75 T N -0.096 114.460 114.554 0.003 0.000 2.904 75 T HA 0.154 4.447 4.350 -0.095 0.000 0.243 75 T C 1.797 176.483 174.700 -0.024 0.000 1.024 75 T CA 1.248 63.356 62.100 0.013 0.000 1.158 75 T CB 0.063 68.918 68.868 -0.021 0.000 0.867 75 T HN 0.280 nan 8.240 nan 0.000 0.429 76 S N -1.153 114.522 115.700 -0.043 0.000 2.417 76 S HA -0.106 4.307 4.470 -0.095 0.000 0.260 76 S C -0.044 174.515 174.600 -0.068 0.000 1.333 76 S CA 0.366 58.536 58.200 -0.049 0.000 1.219 76 S CB -0.938 62.242 63.200 -0.034 0.000 1.510 76 S HN 0.305 nan 8.310 nan 0.000 0.656 77 V N 2.904 122.760 119.914 -0.097 0.000 2.546 77 V HA 0.480 4.543 4.120 -0.095 0.000 0.260 77 V C -0.309 175.718 176.094 -0.113 0.000 0.933 77 V CA -0.019 62.214 62.300 -0.112 0.000 0.994 77 V CB 0.595 32.331 31.823 -0.145 0.000 1.160 77 V HN 0.656 nan 8.190 nan 0.000 0.523 78 N N -0.043 118.615 118.700 -0.071 0.000 3.039 78 N HA 0.416 5.099 4.740 -0.095 0.000 0.257 78 N C 0.428 175.886 175.510 -0.087 0.000 1.497 78 N CA -0.340 52.683 53.050 -0.044 0.000 0.861 78 N CB 1.892 40.407 38.487 0.045 0.000 1.479 78 N HN -0.170 nan 8.380 nan 0.000 0.547 79 V N 0.042 119.852 119.914 -0.173 0.000 2.317 79 V HA -0.320 3.743 4.120 -0.095 0.000 0.251 79 V C 1.608 177.463 176.094 -0.397 0.000 1.065 79 V CA 1.975 64.030 62.300 -0.408 0.000 1.049 79 V CB -1.022 30.286 31.823 -0.859 0.000 0.651 79 V HN 0.697 nan 8.190 nan 0.000 0.450 80 H N 0.282 119.266 119.070 -0.143 0.000 2.387 80 H HA -0.082 4.419 4.556 -0.092 0.000 0.299 80 H C 2.603 177.795 175.328 -0.227 0.000 1.090 80 H CA 1.840 57.793 56.048 -0.157 0.000 1.332 80 H CB -0.432 29.249 29.762 -0.135 0.000 1.386 80 H HN 0.713 nan 8.280 nan 0.000 0.516 81 S N -0.138 115.529 115.700 -0.054 0.000 2.436 81 S HA -0.069 4.344 4.470 -0.095 0.000 0.228 81 S C 2.365 176.905 174.600 -0.100 0.000 1.014 81 S CA 0.830 58.976 58.200 -0.090 0.000 0.950 81 S CB -0.067 63.093 63.200 -0.068 0.000 0.784 81 S HN 0.187 nan 8.310 nan 0.000 0.504 82 S N 1.137 116.773 115.700 -0.107 0.000 2.345 82 S HA 0.076 4.489 4.470 -0.095 0.000 0.220 82 S C 1.728 176.263 174.600 -0.109 0.000 1.031 82 S CA 1.013 59.151 58.200 -0.104 0.000 0.996 82 S CB -0.577 62.555 63.200 -0.113 0.000 0.882 82 S HN 0.414 nan 8.310 nan 0.000 0.445 83 L N 2.175 123.324 121.223 -0.123 0.000 2.141 83 L HA 0.108 4.391 4.340 -0.095 0.000 0.209 83 L C 2.409 179.239 176.870 -0.067 0.000 1.094 83 L CA 1.606 56.397 54.840 -0.081 0.000 0.763 83 L CB -0.724 41.314 42.059 -0.035 0.000 0.908 83 L HN 0.269 nan 8.230 nan 0.000 0.437 84 R N -0.625 119.803 120.500 -0.120 0.000 2.075 84 R HA -0.199 4.084 4.340 -0.095 0.000 0.232 84 R C 2.030 178.276 176.300 -0.089 0.000 1.126 84 R CA 1.876 57.896 56.100 -0.133 0.000 0.963 84 R CB -0.346 29.834 30.300 -0.200 0.000 0.858 84 R HN 0.455 nan 8.270 nan 0.000 0.435 85 D N 0.259 120.605 120.400 -0.090 0.000 2.097 85 D HA -0.184 4.399 4.640 -0.095 0.000 0.195 85 D C 1.922 178.168 176.300 -0.091 0.000 0.989 85 D CA 1.100 55.054 54.000 -0.077 0.000 0.827 85 D CB -0.073 40.684 40.800 -0.070 0.000 0.966 85 D HN 0.189 nan 8.370 nan 0.000 0.456 86 I N 0.592 121.095 120.570 -0.112 0.000 2.208 86 I HA -0.200 3.913 4.170 -0.095 0.000 0.245 86 I C 2.051 178.062 176.117 -0.176 0.000 1.097 86 I CA 1.111 62.308 61.300 -0.173 0.000 1.363 86 I CB -0.635 37.259 38.000 -0.178 0.000 1.051 86 I HN 0.250 nan 8.210 nan 0.000 0.413 87 L N 0.016 121.185 121.223 -0.090 0.000 2.141 87 L HA -0.222 4.061 4.340 -0.095 0.000 0.209 87 L C 2.063 178.934 176.870 0.001 0.000 1.094 87 L CA 1.377 56.206 54.840 -0.018 0.000 0.763 87 L CB -0.669 41.429 42.059 0.066 0.000 0.908 87 L HN 0.343 nan 8.230 nan 0.000 0.437 88 N N -0.774 117.912 118.700 -0.023 0.000 2.171 88 N HA -0.177 4.505 4.740 -0.095 0.000 0.184 88 N C 1.825 177.329 175.510 -0.010 0.000 1.021 88 N CA 0.745 53.792 53.050 -0.005 0.000 0.854 88 N CB 0.032 38.508 38.487 -0.018 0.000 0.994 88 N HN 0.406 nan 8.380 nan 0.000 0.426 89 Q N 0.750 120.517 119.800 -0.055 0.000 2.119 89 Q HA -0.095 4.188 4.340 -0.095 0.000 0.201 89 Q C 2.165 178.148 176.000 -0.029 0.000 0.972 89 Q CA 1.021 56.797 55.803 -0.046 0.000 0.847 89 Q CB -0.111 28.567 28.738 -0.100 0.000 0.903 89 Q HN 0.624 nan 8.270 nan 0.000 0.433 90 I N -2.323 118.166 120.570 -0.136 0.000 3.578 90 I HA 0.115 4.227 4.170 -0.095 0.000 0.295 90 I C 0.094 176.262 176.117 0.085 0.000 1.280 90 I CA 0.105 61.334 61.300 -0.119 0.000 1.347 90 I CB 0.226 37.886 38.000 -0.567 0.000 1.051 90 I HN -0.233 nan 8.210 nan 0.000 0.460 91 T N 3.755 118.392 114.554 0.138 0.000 2.737 91 T HA 0.181 4.474 4.350 -0.095 0.000 0.296 91 T C 0.232 174.994 174.700 0.104 0.000 0.922 91 T CA -0.211 62.035 62.100 0.243 0.000 1.079 91 T CB 0.378 69.361 68.868 0.193 0.000 0.892 91 T HN 0.322 nan 8.240 nan 0.000 0.514 95 D N -2.089 118.296 120.400 -0.024 0.000 2.655 95 D HA -0.209 4.374 4.640 -0.095 0.000 0.219 95 D C 0.270 176.594 176.300 0.041 0.000 1.241 95 D CA 2.420 56.428 54.000 0.014 0.000 1.868 95 D CB -1.307 39.513 40.800 0.032 0.000 1.358 95 D HN 0.699 nan 8.370 nan 0.000 0.583 96 V N -1.618 118.349 119.914 0.089 0.000 3.346 96 V HA 0.596 4.659 4.120 -0.095 0.000 0.309 96 V C -0.182 176.040 176.094 0.213 0.000 1.457 96 V CA 0.600 62.980 62.300 0.133 0.000 1.069 96 V CB -0.002 31.916 31.823 0.159 0.000 0.944 96 V HN 0.784 nan 8.190 nan 0.000 0.449 97 Y N -0.558 119.752 120.300 0.016 0.000 2.452 97 Y HA 0.660 5.156 4.550 -0.090 0.000 0.323 97 Y C -1.227 174.689 175.900 0.026 0.000 1.244 97 Y CA -0.425 57.665 58.100 -0.016 0.000 1.158 97 Y CB 0.617 39.100 38.460 0.039 0.000 1.332 97 Y HN 0.290 nan 8.280 nan 0.000 0.456 98 S N 5.495 121.083 115.700 -0.187 0.000 2.536 98 S HA 0.862 5.275 4.470 -0.095 0.000 0.287 98 S C -1.744 172.931 174.600 0.125 0.000 1.101 98 S CA -0.608 57.460 58.200 -0.220 0.000 0.950 98 S CB 2.168 65.293 63.200 -0.124 0.000 1.056 98 S HN 1.100 nan 8.310 nan 0.000 0.481 99 F N 2.211 122.175 119.950 0.024 0.000 2.574 99 F HA 0.712 5.180 4.527 -0.099 0.000 0.313 99 F C -0.879 174.999 175.800 0.130 0.000 1.130 99 F CA -0.020 58.133 58.000 0.255 0.000 0.936 99 F CB 2.026 41.283 39.000 0.428 0.000 1.219 99 F HN 0.981 nan 8.300 nan 0.000 0.445 100 S N 6.013 121.380 115.700 -0.556 0.000 2.536 100 S HA 0.777 5.190 4.470 -0.095 0.000 0.271 100 S C -2.151 172.210 174.600 -0.398 0.000 1.134 100 S CA -0.778 57.245 58.200 -0.296 0.000 0.897 100 S CB 1.924 65.059 63.200 -0.109 0.000 1.094 100 S HN 0.875 nan 8.310 nan 0.000 0.473 101 L N 2.264 123.415 121.223 -0.120 0.000 2.406 101 L HA 0.863 5.146 4.340 -0.095 0.000 0.270 101 L C -0.561 176.366 176.870 0.095 0.000 0.982 101 L CA -0.493 54.342 54.840 -0.008 0.000 0.843 101 L CB 1.124 43.248 42.059 0.108 0.000 1.225 101 L HN 1.121 nan 8.230 nan 0.000 0.412 102 A N 3.409 126.312 122.820 0.139 0.000 2.318 102 A HA 0.886 5.149 4.320 -0.095 0.000 0.324 102 A C -0.424 177.359 177.584 0.332 0.000 1.170 102 A CA -0.393 51.789 52.037 0.242 0.000 0.810 102 A CB 0.970 20.160 19.000 0.318 0.000 1.198 102 A HN 0.679 nan 8.150 nan 0.000 0.484 103 S N 0.921 116.758 115.700 0.228 0.000 2.621 103 S HA 0.818 5.230 4.470 -0.095 0.000 0.302 103 S C -0.189 174.407 174.600 -0.007 0.000 1.093 103 S CA -0.687 57.606 58.200 0.155 0.000 1.017 103 S CB 1.438 64.701 63.200 0.106 0.000 1.077 103 S HN 0.705 nan 8.310 nan 0.000 0.517 104 R N 0.432 120.867 120.500 -0.109 0.000 2.643 104 R HA 0.480 4.762 4.340 -0.095 0.000 0.269 104 R C -2.137 174.042 176.300 -0.202 0.000 1.037 104 R CA -0.741 55.159 56.100 -0.334 0.000 0.894 104 R CB 1.363 31.176 30.300 -0.812 0.000 1.238 104 R HN 0.360 nan 8.270 nan 0.000 0.459 105 L N 3.036 124.099 121.223 -0.266 0.000 2.343 105 L HA 0.438 4.721 4.340 -0.095 0.000 0.278 105 L C -1.350 175.393 176.870 -0.213 0.000 0.996 105 L CA -0.321 54.455 54.840 -0.107 0.000 0.831 105 L CB 1.229 43.269 42.059 -0.031 0.000 1.232 105 L HN 0.491 nan 8.230 nan 0.000 0.413 106 Y N 2.882 123.182 120.300 0.001 0.000 2.353 106 Y HA 0.732 5.224 4.550 -0.097 0.000 0.340 106 Y C 0.391 176.365 175.900 0.123 0.000 0.972 106 Y CA -0.494 57.611 58.100 0.008 0.000 1.157 106 Y CB 1.592 40.063 38.460 0.019 0.000 1.157 106 Y HN 0.621 nan 8.280 nan 0.000 0.495 107 A N 2.547 125.469 122.820 0.169 0.000 2.401 107 A HA 0.619 4.882 4.320 -0.095 0.000 0.310 107 A C -0.590 177.080 177.584 0.143 0.000 1.075 107 A CA -0.951 51.204 52.037 0.196 0.000 0.746 107 A CB 1.142 20.221 19.000 0.131 0.000 1.277 107 A HN 0.648 nan 8.150 nan 0.000 0.425 108 E N 1.269 121.602 120.200 0.223 0.000 2.458 108 E HA 0.022 4.315 4.350 -0.095 0.000 0.264 108 E C -0.264 176.421 176.600 0.140 0.000 1.097 108 E CA 0.305 56.822 56.400 0.196 0.000 0.973 108 E CB 0.383 30.230 29.700 0.246 0.000 0.963 108 E HN 0.456 nan 8.360 nan 0.000 0.451 109 E N 4.012 124.270 120.200 0.097 0.000 2.383 109 E HA -0.062 4.230 4.350 -0.095 0.000 0.257 109 E C -0.192 176.471 176.600 0.105 0.000 1.079 109 E CA 0.251 56.694 56.400 0.073 0.000 0.934 109 E CB 0.185 29.913 29.700 0.047 0.000 0.978 109 E HN 0.420 nan 8.360 nan 0.000 0.462 110 R N 2.235 122.790 120.500 0.091 0.000 3.059 110 R HA -0.244 4.039 4.340 -0.095 0.000 0.251 110 R C -1.011 175.356 176.300 0.112 0.000 0.886 110 R CA 0.512 56.660 56.100 0.080 0.000 0.634 110 R CB -1.834 28.491 30.300 0.041 0.000 1.282 110 R HN 0.526 nan 8.270 nan 0.000 0.487 111 Y N 1.462 121.783 120.300 0.035 0.000 2.420 111 Y HA 0.403 4.896 4.550 -0.095 0.000 0.334 111 Y C -1.585 174.329 175.900 0.023 0.000 1.094 111 Y CA -2.515 55.606 58.100 0.035 0.000 1.126 111 Y CB 1.388 39.881 38.460 0.055 0.000 1.217 111 Y HN 0.093 nan 8.280 nan 0.000 0.462 112 P HA 0.128 nan 4.420 nan 0.000 0.235 112 P C -0.899 176.366 177.300 -0.058 0.000 1.670 112 P CA 0.765 63.687 63.100 -0.297 0.000 1.017 112 P CB -0.666 30.781 31.700 -0.422 0.000 1.945 113 I N 1.993 122.628 120.570 0.108 0.000 2.281 113 I HA 0.074 4.187 4.170 -0.095 0.000 0.293 113 I C 0.750 176.925 176.117 0.097 0.000 1.085 113 I CA -0.788 60.602 61.300 0.150 0.000 1.257 113 I CB 0.274 38.399 38.000 0.208 0.000 1.430 113 I HN -0.012 nan 8.210 nan 0.000 0.489 114 L N 9.414 130.672 121.223 0.059 0.000 2.822 114 L HA -0.128 4.155 4.340 -0.095 0.000 0.288 114 L C -0.651 176.280 176.870 0.101 0.000 1.182 114 L CA -0.580 54.295 54.840 0.060 0.000 0.936 114 L CB -0.106 41.983 42.059 0.050 0.000 1.269 114 L HN 0.460 nan 8.230 nan 0.000 0.476 115 P HA -0.255 nan 4.420 nan 0.000 0.216 115 P C 1.091 178.425 177.300 0.055 0.000 1.157 115 P CA 1.778 64.909 63.100 0.053 0.000 0.880 115 P CB -0.024 31.691 31.700 0.025 0.000 0.791 116 E N -0.669 119.562 120.200 0.052 0.000 2.204 116 E HA -0.228 4.065 4.350 -0.095 0.000 0.195 116 E C 2.195 178.826 176.600 0.051 0.000 0.990 116 E CA 0.950 57.370 56.400 0.035 0.000 0.821 116 E CB -1.411 28.303 29.700 0.024 0.000 0.750 116 E HN 0.299 nan 8.360 nan 0.000 0.477 117 Y N 2.205 122.499 120.300 -0.011 0.000 2.114 117 Y HA -0.118 4.374 4.550 -0.096 0.000 0.284 117 Y C 2.323 178.225 175.900 0.004 0.000 1.143 117 Y CA 1.597 59.694 58.100 -0.006 0.000 1.135 117 Y CB -0.361 38.102 38.460 0.005 0.000 0.980 117 Y HN -0.089 nan 8.280 nan 0.000 0.499 118 L N -0.232 121.004 121.223 0.022 0.000 2.131 118 L HA -0.238 4.045 4.340 -0.095 0.000 0.210 118 L C 2.436 179.245 176.870 -0.102 0.000 1.092 118 L CA 1.358 56.160 54.840 -0.063 0.000 0.759 118 L CB -0.641 41.440 42.059 0.037 0.000 0.903 118 L HN 0.248 nan 8.230 nan 0.000 0.435 119 Q N -0.541 119.218 119.800 -0.067 0.000 1.993 119 Q HA -0.231 4.051 4.340 -0.095 0.000 0.202 119 Q C 2.469 178.411 176.000 -0.097 0.000 0.984 119 Q CA 2.249 58.013 55.803 -0.065 0.000 0.837 119 Q CB -0.827 27.886 28.738 -0.042 0.000 0.902 119 Q HN 0.541 nan 8.270 nan 0.000 0.423 120 c N -0.949 117.576 118.600 -0.125 0.000 2.436 120 c HA -0.106 4.407 4.570 -0.095 0.000 0.277 120 c C 2.585 176.587 174.090 -0.146 0.000 1.241 120 c CA 0.964 57.207 56.329 -0.144 0.000 1.721 120 c CB -1.037 41.376 42.510 -0.162 0.000 2.043 120 c HN 0.413 nan 8.230 nan 0.000 0.472 121 V N 1.435 121.224 119.914 -0.209 0.000 2.380 121 V HA -0.272 3.791 4.120 -0.095 0.000 0.251 121 V C 2.645 178.716 176.094 -0.038 0.000 1.063 121 V CA 2.543 64.779 62.300 -0.107 0.000 1.055 121 V CB -0.822 30.809 31.823 -0.320 0.000 0.657 121 V HN 0.688 nan 8.190 nan 0.000 0.455 122 K N -0.472 119.878 120.400 -0.083 0.000 2.103 122 K HA -0.198 4.064 4.320 -0.095 0.000 0.204 122 K C 2.067 178.633 176.600 -0.057 0.000 1.052 122 K CA 1.530 57.782 56.287 -0.058 0.000 0.945 122 K CB 0.020 32.482 32.500 -0.063 0.000 0.722 122 K HN 0.388 nan 8.250 nan 0.000 0.443 123 E N 0.961 121.112 120.200 -0.080 0.000 2.001 123 E HA -0.095 4.198 4.350 -0.095 0.000 0.193 123 E C 1.948 178.473 176.600 -0.126 0.000 0.994 123 E CA 1.397 57.742 56.400 -0.092 0.000 0.815 123 E CB -0.152 29.488 29.700 -0.099 0.000 0.770 123 E HN 0.243 nan 8.360 nan 0.000 0.453 124 L N -1.051 120.055 121.223 -0.195 0.000 2.131 124 L HA -0.086 4.196 4.340 -0.095 0.000 0.206 124 L C 1.386 177.965 176.870 -0.485 0.000 1.087 124 L CA 0.842 55.464 54.840 -0.363 0.000 0.767 124 L CB -0.026 41.729 42.059 -0.507 0.000 0.917 124 L HN 0.246 nan 8.230 nan 0.000 0.441 125 Y N -0.815 119.462 120.300 -0.038 0.000 2.485 125 Y HA 0.212 4.702 4.550 -0.098 0.000 0.260 125 Y C 0.629 176.520 175.900 -0.016 0.000 1.173 125 Y CA -0.711 57.377 58.100 -0.019 0.000 1.252 125 Y CB 0.083 38.531 38.460 -0.020 0.000 1.123 125 Y HN 0.005 nan 8.280 nan 0.000 0.524 126 R N -0.276 120.251 120.500 0.045 0.000 3.627 126 R HA -0.176 4.106 4.340 -0.095 0.000 0.281 126 R C 0.556 176.878 176.300 0.036 0.000 1.140 126 R CA 0.606 56.723 56.100 0.029 0.000 0.761 126 R CB -2.078 28.244 30.300 0.036 0.000 1.181 126 R HN 0.429 nan 8.270 nan 0.000 0.472 127 G N 0.277 109.096 108.800 0.032 0.000 2.353 127 G HA2 0.512 4.415 3.960 -0.095 0.000 0.284 127 G HA3 0.512 4.415 3.960 -0.095 0.000 0.284 127 G C 0.452 175.310 174.900 -0.069 0.000 1.172 127 G CA 0.249 45.342 45.100 -0.012 0.000 0.854 127 G HN 0.239 nan 8.290 nan 0.000 0.485 128 G N 1.139 109.869 108.800 -0.117 0.000 2.420 128 G HA2 0.465 4.368 3.960 -0.095 0.000 0.284 128 G HA3 0.465 4.368 3.960 -0.095 0.000 0.284 128 G C -0.351 174.419 174.900 -0.217 0.000 1.177 128 G CA -0.600 44.408 45.100 -0.152 0.000 0.841 128 G HN 0.600 nan 8.290 nan 0.000 0.527 129 L N 1.610 122.725 121.223 -0.180 0.000 2.282 129 L HA 0.511 4.794 4.340 -0.095 0.000 0.288 129 L C -0.836 175.891 176.870 -0.239 0.000 1.033 129 L CA -0.408 54.320 54.840 -0.187 0.000 0.807 129 L CB 1.294 43.297 42.059 -0.094 0.000 1.209 129 L HN 0.375 nan 8.230 nan 0.000 0.423 130 E N 7.090 127.076 120.200 -0.357 0.000 2.165 130 E HA 0.445 4.738 4.350 -0.095 0.000 0.266 130 E C -2.486 174.003 176.600 -0.184 0.000 0.889 130 E CA -2.013 54.178 56.400 -0.349 0.000 0.756 130 E CB 1.867 31.152 29.700 -0.691 0.000 1.131 130 E HN 0.439 nan 8.360 nan 0.000 0.411 131 P HA 0.288 nan 4.420 nan 0.000 0.281 131 P C -0.499 176.765 177.300 -0.060 0.000 1.286 131 P CA -0.401 62.667 63.100 -0.052 0.000 0.772 131 P CB 0.813 32.491 31.700 -0.036 0.000 0.862 132 I N 3.371 123.880 120.570 -0.102 0.000 2.892 132 I HA 0.406 4.519 4.170 -0.095 0.000 0.306 132 I C -0.418 175.526 176.117 -0.288 0.000 1.078 132 I CA -1.341 59.821 61.300 -0.230 0.000 1.032 132 I CB 2.206 39.957 38.000 -0.415 0.000 1.229 132 I HN 0.160 nan 8.210 nan 0.000 0.435 133 N N 4.563 123.098 118.700 -0.274 0.000 2.678 133 N HA 0.267 4.950 4.740 -0.095 0.000 0.231 133 N C -0.263 175.153 175.510 -0.156 0.000 1.038 133 N CA 0.045 53.003 53.050 -0.153 0.000 0.932 133 N CB 0.141 38.587 38.487 -0.067 0.000 1.176 133 N HN 0.405 nan 8.380 nan 0.000 0.511 134 F N 0.834 120.793 119.950 0.016 0.000 2.179 134 F HA 0.098 4.568 4.527 -0.096 0.000 0.292 134 F C 2.307 178.111 175.800 0.007 0.000 1.089 134 F CA 0.527 58.529 58.000 0.002 0.000 1.295 134 F CB -0.327 38.664 39.000 -0.015 0.000 1.041 134 F HN 0.458 nan 8.300 nan 0.000 0.487 135 Q N 0.045 119.976 119.800 0.218 0.000 2.082 135 Q HA -0.223 4.060 4.340 -0.095 0.000 0.211 135 Q C 1.876 177.931 176.000 0.092 0.000 1.002 135 Q CA 2.707 58.589 55.803 0.132 0.000 0.868 135 Q CB -0.974 27.830 28.738 0.110 0.000 0.931 135 Q HN 0.506 nan 8.270 nan 0.000 0.414 136 T N -4.776 109.822 114.554 0.073 0.000 3.084 136 T HA 0.621 4.914 4.350 -0.095 0.000 0.270 136 T C 0.378 175.103 174.700 0.040 0.000 1.008 136 T CA 0.258 62.388 62.100 0.050 0.000 0.900 136 T CB 0.878 69.768 68.868 0.036 0.000 1.084 136 T HN 0.180 nan 8.240 nan 0.000 0.538 137 A N 0.347 123.194 122.820 0.046 0.000 2.958 137 A HA 0.844 5.107 4.320 -0.095 0.000 0.214 137 A C 1.502 179.111 177.584 0.042 0.000 0.902 137 A CA 0.094 52.147 52.037 0.027 0.000 1.136 137 A CB -0.447 18.550 19.000 -0.005 0.000 1.250 137 A HN 0.458 nan 8.150 nan 0.000 0.497 138 A N 0.864 123.750 122.820 0.109 0.000 2.019 138 A HA -0.129 4.133 4.320 -0.095 0.000 0.219 138 A C 1.803 179.455 177.584 0.114 0.000 1.164 138 A CA 1.871 54.027 52.037 0.198 0.000 0.644 138 A CB -0.392 18.731 19.000 0.204 0.000 0.805 138 A HN 0.725 nan 8.150 nan 0.000 0.449 139 D N -0.504 119.933 120.400 0.063 0.000 2.117 139 D HA -0.268 4.314 4.640 -0.095 0.000 0.197 139 D C 1.903 178.216 176.300 0.021 0.000 0.987 139 D CA 1.631 55.654 54.000 0.038 0.000 0.829 139 D CB -0.693 40.124 40.800 0.027 0.000 0.961 139 D HN 0.645 nan 8.370 nan 0.000 0.460 140 Q N 0.479 120.282 119.800 0.006 0.000 2.137 140 Q HA 0.012 4.294 4.340 -0.095 0.000 0.198 140 Q C 2.278 178.252 176.000 -0.043 0.000 0.960 140 Q CA 1.114 56.908 55.803 -0.015 0.000 0.847 140 Q CB -0.069 28.657 28.738 -0.020 0.000 0.915 140 Q HN 0.318 nan 8.270 nan 0.000 0.448 141 A N 1.432 124.209 122.820 -0.072 0.000 1.883 141 A HA -0.260 4.002 4.320 -0.095 0.000 0.217 141 A C 2.090 179.614 177.584 -0.100 0.000 1.186 141 A CA 1.719 53.656 52.037 -0.167 0.000 0.624 141 A CB -0.741 18.056 19.000 -0.337 0.000 0.822 141 A HN 0.421 nan 8.150 nan 0.000 0.444 142 R N -0.104 120.401 120.500 0.008 0.000 2.096 142 R HA -0.197 4.086 4.340 -0.095 0.000 0.240 142 R C 1.997 178.284 176.300 -0.022 0.000 1.139 142 R CA 2.017 58.125 56.100 0.014 0.000 0.952 142 R CB -0.335 29.992 30.300 0.044 0.000 0.854 142 R HN 0.698 nan 8.270 nan 0.000 0.436 143 E N 0.113 120.305 120.200 -0.013 0.000 2.208 143 E HA -0.141 4.152 4.350 -0.095 0.000 0.193 143 E C 1.946 178.542 176.600 -0.006 0.000 0.988 143 E CA 0.418 56.815 56.400 -0.005 0.000 0.828 143 E CB 0.112 29.814 29.700 0.003 0.000 0.763 143 E HN 0.286 nan 8.360 nan 0.000 0.478 144 L N 0.627 121.829 121.223 -0.035 0.000 2.044 144 L HA -0.114 4.168 4.340 -0.095 0.000 0.205 144 L C 2.289 179.146 176.870 -0.022 0.000 1.075 144 L CA 1.398 56.229 54.840 -0.015 0.000 0.747 144 L CB -0.734 41.302 42.059 -0.037 0.000 0.903 144 L HN 0.194 nan 8.230 nan 0.000 0.435 145 I N -0.026 120.425 120.570 -0.198 0.000 2.142 145 I HA -0.322 3.791 4.170 -0.095 0.000 0.240 145 I C 2.240 178.386 176.117 0.048 0.000 1.078 145 I CA 1.046 62.190 61.300 -0.260 0.000 1.343 145 I CB -0.399 37.323 38.000 -0.464 0.000 1.046 145 I HN 0.318 nan 8.210 nan 0.000 0.405 146 N N 0.409 119.125 118.700 0.026 0.000 2.104 146 N HA -0.205 4.478 4.740 -0.095 0.000 0.190 146 N C 2.024 177.578 175.510 0.075 0.000 1.024 146 N CA 1.784 54.869 53.050 0.057 0.000 0.853 146 N CB -0.507 37.998 38.487 0.029 0.000 1.008 146 N HN 0.268 nan 8.380 nan 0.000 0.424 147 S N -0.356 115.390 115.700 0.077 0.000 2.383 147 S HA -0.165 4.248 4.470 -0.095 0.000 0.229 147 S C 1.755 176.426 174.600 0.118 0.000 1.030 147 S CA 1.145 59.391 58.200 0.078 0.000 1.002 147 S CB -0.317 62.929 63.200 0.077 0.000 0.829 147 S HN 0.563 nan 8.310 nan 0.000 0.467 148 W N 1.511 122.831 121.300 0.034 0.000 2.407 148 W HA 0.010 4.612 4.660 -0.097 0.000 0.305 148 W C 2.011 178.566 176.519 0.060 0.000 1.196 148 W CA 1.200 58.587 57.345 0.071 0.000 1.311 148 W CB -0.612 28.942 29.460 0.157 0.000 1.135 148 W HN 0.091 nan 8.180 nan 0.000 0.514 149 V N 0.900 120.866 119.914 0.087 0.000 2.407 149 V HA -0.320 3.742 4.120 -0.095 0.000 0.248 149 V C 2.237 178.223 176.094 -0.180 0.000 1.055 149 V CA 2.395 64.631 62.300 -0.107 0.000 1.049 149 V CB -1.015 30.867 31.823 0.098 0.000 0.662 149 V HN 0.310 nan 8.190 nan 0.000 0.455 150 E N -0.046 120.098 120.200 -0.094 0.000 2.051 150 E HA -0.247 4.046 4.350 -0.095 0.000 0.192 150 E C 2.423 178.937 176.600 -0.144 0.000 0.991 150 E CA 1.559 57.903 56.400 -0.094 0.000 0.799 150 E CB -0.191 29.481 29.700 -0.047 0.000 0.748 150 E HN 0.514 nan 8.360 nan 0.000 0.449 151 S N -0.398 115.197 115.700 -0.175 0.000 2.402 151 S HA -0.109 4.304 4.470 -0.095 0.000 0.229 151 S C 1.889 176.328 174.600 -0.269 0.000 1.021 151 S CA 0.773 58.861 58.200 -0.187 0.000 0.974 151 S CB -0.045 63.066 63.200 -0.149 0.000 0.800 151 S HN 0.271 nan 8.310 nan 0.000 0.484 152 Q N 0.499 120.032 119.800 -0.444 0.000 2.297 152 Q HA -0.008 4.275 4.340 -0.095 0.000 0.204 152 Q C 1.552 177.392 176.000 -0.266 0.000 0.962 152 Q CA 1.425 56.958 55.803 -0.449 0.000 0.879 152 Q CB -0.418 27.855 28.738 -0.775 0.000 0.947 152 Q HN 0.788 nan 8.270 nan 0.000 0.462 153 T N -3.080 111.343 114.554 -0.218 0.000 3.243 153 T HA 0.205 4.498 4.350 -0.095 0.000 0.264 153 T C -0.027 174.591 174.700 -0.136 0.000 1.000 153 T CA -0.378 61.633 62.100 -0.147 0.000 0.901 153 T CB -0.230 68.568 68.868 -0.117 0.000 1.083 153 T HN 0.117 nan 8.240 nan 0.000 0.559 154 N N 1.400 120.020 118.700 -0.133 0.000 2.710 154 N HA -0.178 4.505 4.740 -0.095 0.000 0.249 154 N C 1.201 176.646 175.510 -0.109 0.000 1.059 154 N CA 1.284 54.268 53.050 -0.111 0.000 0.720 154 N CB -1.513 36.914 38.487 -0.100 0.000 0.983 154 N HN 0.960 nan 8.380 nan 0.000 0.544 155 G N -1.635 107.101 108.800 -0.108 0.000 2.184 155 G HA2 -0.364 3.539 3.960 -0.095 0.000 0.264 155 G HA3 -0.364 3.539 3.960 -0.095 0.000 0.264 155 G C 1.002 175.834 174.900 -0.113 0.000 0.975 155 G CA 0.506 45.550 45.100 -0.094 0.000 0.642 155 G HN 0.498 nan 8.290 nan 0.000 0.536 156 I N 0.283 120.762 120.570 -0.153 0.000 2.353 156 I HA 0.163 4.276 4.170 -0.095 0.000 0.248 156 I C 1.301 177.327 176.117 -0.151 0.000 1.119 156 I CA 0.953 62.122 61.300 -0.219 0.000 1.417 156 I CB -0.017 37.762 38.000 -0.369 0.000 1.078 156 I HN 0.151 nan 8.210 nan 0.000 0.421 157 I N 2.068 122.577 120.570 -0.101 0.000 2.330 157 I HA 0.247 4.360 4.170 -0.095 0.000 0.286 157 I C -0.133 175.963 176.117 -0.036 0.000 1.025 157 I CA -0.244 61.026 61.300 -0.049 0.000 1.197 157 I CB 0.595 38.583 38.000 -0.021 0.000 1.358 157 I HN 0.075 nan 8.210 nan 0.000 0.467 158 R N 4.999 125.484 120.500 -0.026 0.000 2.668 158 R HA 0.409 4.691 4.340 -0.095 0.000 0.279 158 R C 0.051 176.351 176.300 0.000 0.000 0.976 158 R CA -0.894 55.197 56.100 -0.015 0.000 0.978 158 R CB 0.878 31.166 30.300 -0.020 0.000 1.133 158 R HN 0.510 nan 8.270 nan 0.000 0.484 159 N N 0.540 119.245 118.700 0.008 0.000 2.699 159 N HA -0.181 4.501 4.740 -0.095 0.000 0.256 159 N C 0.729 176.253 175.510 0.022 0.000 0.993 159 N CA 0.582 53.641 53.050 0.015 0.000 0.759 159 N CB -0.792 37.700 38.487 0.009 0.000 0.906 159 N HN 0.417 nan 8.380 nan 0.000 0.541 160 V N -0.367 119.568 119.914 0.035 0.000 2.568 160 V HA -0.110 3.953 4.120 -0.095 0.000 0.253 160 V C 1.070 177.195 176.094 0.051 0.000 1.072 160 V CA 1.515 63.845 62.300 0.050 0.000 1.084 160 V CB 0.088 31.958 31.823 0.079 0.000 0.676 160 V HN 0.384 nan 8.190 nan 0.000 0.469 161 L N 1.627 122.875 121.223 0.043 0.000 2.298 161 L HA 0.400 4.683 4.340 -0.095 0.000 0.284 161 L C 0.158 177.044 176.870 0.026 0.000 1.013 161 L CA -0.399 54.463 54.840 0.038 0.000 0.824 161 L CB 1.594 43.675 42.059 0.036 0.000 1.221 161 L HN 0.363 nan 8.230 nan 0.000 0.418 162 Q N 3.479 123.293 119.800 0.023 0.000 2.368 162 Q HA 0.439 4.722 4.340 -0.095 0.000 0.237 162 Q C -2.468 173.541 176.000 0.015 0.000 0.987 162 Q CA -2.011 53.801 55.803 0.016 0.000 0.896 162 Q CB 0.068 28.814 28.738 0.012 0.000 1.241 162 Q HN 0.267 nan 8.270 nan 0.000 0.485 163 P HA -0.122 nan 4.420 nan 0.000 0.263 163 P C -0.599 176.708 177.300 0.011 0.000 1.168 163 P CA 0.832 63.940 63.100 0.013 0.000 0.759 163 P CB 0.326 32.032 31.700 0.010 0.000 0.782 164 S N 1.059 116.768 115.700 0.014 0.000 3.550 164 S HA -0.162 4.251 4.470 -0.095 0.000 0.372 164 S C 1.070 175.669 174.600 -0.001 0.000 0.966 164 S CA 1.028 59.233 58.200 0.008 0.000 1.229 164 S CB -1.705 61.498 63.200 0.006 0.000 0.917 164 S HN 0.727 nan 8.310 nan 0.000 0.496 165 S N -1.413 114.287 115.700 0.001 0.000 2.535 165 S HA 0.439 4.852 4.470 -0.095 0.000 0.214 165 S C 0.476 175.057 174.600 -0.032 0.000 0.980 165 S CA 0.317 58.513 58.200 -0.006 0.000 0.907 165 S CB 0.297 63.502 63.200 0.009 0.000 0.790 165 S HN 1.147 nan 8.310 nan 0.000 0.510 166 V N -0.130 119.763 119.914 -0.036 0.000 2.932 166 V HA 0.864 4.927 4.120 -0.095 0.000 0.307 166 V C -1.611 174.452 176.094 -0.051 0.000 1.147 166 V CA -0.886 61.354 62.300 -0.100 0.000 0.951 166 V CB 1.866 33.641 31.823 -0.079 0.000 1.031 166 V HN 0.339 nan 8.190 nan 0.000 0.426 167 D N 1.842 122.186 120.400 -0.094 0.000 2.958 167 D HA 0.416 4.998 4.640 -0.095 0.000 0.306 167 D C 1.034 177.328 176.300 -0.010 0.000 1.226 167 D CA 0.142 54.130 54.000 -0.019 0.000 1.032 167 D CB 0.793 41.581 40.800 -0.019 0.000 1.400 167 D HN 0.718 nan 8.370 nan 0.000 0.587 168 S N -1.479 114.236 115.700 0.025 0.000 2.595 168 S HA -0.141 4.272 4.470 -0.095 0.000 0.235 168 S C 0.741 175.350 174.600 0.016 0.000 0.974 168 S CA 0.591 58.821 58.200 0.050 0.000 0.942 168 S CB -0.461 62.768 63.200 0.049 0.000 0.766 168 S HN 0.417 nan 8.310 nan 0.000 0.536 169 Q N 0.992 120.768 119.800 -0.039 0.000 2.219 169 Q HA 0.242 4.525 4.340 -0.095 0.000 0.209 169 Q C -0.247 175.663 176.000 -0.150 0.000 0.854 169 Q CA 0.175 55.943 55.803 -0.058 0.000 0.960 169 Q CB 0.190 28.902 28.738 -0.042 0.000 1.116 169 Q HN 0.434 nan 8.270 nan 0.000 0.500 170 T N 1.038 115.427 114.554 -0.274 0.000 2.794 170 T HA 0.417 4.709 4.350 -0.095 0.000 0.296 170 T C 0.941 175.325 174.700 -0.527 0.000 0.949 170 T CA 0.249 62.034 62.100 -0.524 0.000 1.101 170 T CB 1.564 69.827 68.868 -1.009 0.000 0.905 170 T HN 0.209 nan 8.240 nan 0.000 0.516 171 A N 3.845 126.384 122.820 -0.469 0.000 1.973 171 A HA 0.536 4.799 4.320 -0.095 0.000 0.210 171 A C 0.644 178.028 177.584 -0.333 0.000 1.200 171 A CA 0.246 51.939 52.037 -0.573 0.000 0.707 171 A CB 0.173 18.661 19.000 -0.854 0.000 0.862 171 A HN 0.750 nan 8.150 nan 0.000 0.461 172 M N -0.815 118.636 119.600 -0.248 0.000 2.490 172 M HA 0.497 4.920 4.480 -0.095 0.000 0.286 172 M C -2.508 173.791 176.300 -0.001 0.000 1.185 172 M CA -0.426 54.866 55.300 -0.013 0.000 0.912 172 M CB 2.116 34.707 32.600 -0.014 0.000 1.744 172 M HN -0.143 nan 8.290 nan 0.000 0.494 173 V N 4.868 124.885 119.914 0.170 0.000 2.443 173 V HA 0.464 4.526 4.120 -0.095 0.000 0.293 173 V C -0.641 175.569 176.094 0.194 0.000 1.021 173 V CA -0.574 61.821 62.300 0.159 0.000 0.848 173 V CB 1.756 33.712 31.823 0.222 0.000 0.998 173 V HN 0.765 nan 8.190 nan 0.000 0.424 174 L N 5.440 126.743 121.223 0.132 0.000 2.292 174 L HA 0.751 5.034 4.340 -0.095 0.000 0.284 174 L C -0.365 176.593 176.870 0.146 0.000 1.065 174 L CA -0.404 54.510 54.840 0.123 0.000 0.806 174 L CB 1.702 43.812 42.059 0.086 0.000 1.175 174 L HN 0.471 nan 8.230 nan 0.000 0.431 175 V N 3.497 123.511 119.914 0.165 0.000 2.969 175 V HA 0.547 4.610 4.120 -0.095 0.000 0.304 175 V C -1.590 174.662 176.094 0.263 0.000 1.192 175 V CA -0.506 61.927 62.300 0.223 0.000 0.962 175 V CB 2.461 34.457 31.823 0.289 0.000 1.045 175 V HN 0.973 nan 8.190 nan 0.000 0.428 176 N N 4.837 123.706 118.700 0.282 0.000 2.312 176 N HA 0.914 5.597 4.740 -0.095 0.000 0.296 176 N C -0.924 174.768 175.510 0.304 0.000 1.193 176 N CA -0.105 53.130 53.050 0.308 0.000 0.773 176 N CB 2.380 40.985 38.487 0.197 0.000 1.435 176 N HN 1.069 nan 8.380 nan 0.000 0.484 177 A N 0.519 123.489 122.820 0.250 0.000 2.393 177 A HA 0.731 4.993 4.320 -0.095 0.000 0.306 177 A C -1.249 176.366 177.584 0.051 0.000 1.050 177 A CA -0.753 51.340 52.037 0.093 0.000 0.724 177 A CB 0.690 19.609 19.000 -0.135 0.000 1.248 177 A HN 0.815 nan 8.150 nan 0.000 0.424 178 I N 2.434 123.035 120.570 0.052 0.000 2.545 178 I HA 0.700 4.813 4.170 -0.095 0.000 0.292 178 I C -1.570 174.544 176.117 -0.006 0.000 1.040 178 I CA -0.885 60.412 61.300 -0.005 0.000 1.068 178 I CB 1.956 40.017 38.000 0.103 0.000 1.251 178 I HN 0.374 nan 8.210 nan 0.000 0.424 179 V N 7.747 127.591 119.914 -0.116 0.000 2.525 179 V HA 0.452 4.514 4.120 -0.095 0.000 0.299 179 V C -1.082 175.031 176.094 0.032 0.000 1.034 179 V CA -0.581 61.699 62.300 -0.034 0.000 0.863 179 V CB 1.616 33.394 31.823 -0.076 0.000 0.999 179 V HN 0.546 nan 8.190 nan 0.000 0.423 180 F N 4.734 124.704 119.950 0.033 0.000 2.547 180 F HA 0.737 5.225 4.527 -0.064 0.000 0.316 180 F C -0.523 175.340 175.800 0.105 0.000 1.121 180 F CA -0.780 57.328 58.000 0.180 0.000 0.911 180 F CB 1.742 41.027 39.000 0.476 0.000 1.179 180 F HN 0.405 nan 8.300 nan 0.000 0.443 181 K N 4.268 124.254 120.400 -0.689 0.000 2.578 181 K HA 0.690 4.953 4.320 -0.095 0.000 0.250 181 K C -1.126 175.028 176.600 -0.743 0.000 0.955 181 K CA -0.715 55.206 56.287 -0.610 0.000 0.825 181 K CB 1.622 33.972 32.500 -0.249 0.000 1.151 181 K HN 0.923 nan 8.250 nan 0.000 0.432 182 G N 3.968 112.300 108.800 -0.779 0.000 2.687 182 G HA2 0.412 4.315 3.960 -0.095 0.000 0.301 182 G HA3 0.412 4.315 3.960 -0.095 0.000 0.301 182 G C -1.167 173.719 174.900 -0.023 0.000 1.416 182 G CA -0.687 44.184 45.100 -0.382 0.000 1.005 182 G HN 0.476 nan 8.290 nan 0.000 0.509 183 L N 1.658 122.944 121.223 0.104 0.000 2.331 183 L HA 0.301 4.584 4.340 -0.095 0.000 0.278 183 L C 0.107 177.109 176.870 0.220 0.000 1.106 183 L CA -0.647 54.257 54.840 0.106 0.000 0.824 183 L CB 0.832 42.966 42.059 0.125 0.000 1.142 183 L HN 0.566 nan 8.230 nan 0.000 0.443 184 W N 2.771 124.152 121.300 0.135 0.000 2.158 184 W HA 0.016 4.612 4.660 -0.108 0.000 0.339 184 W C 1.496 178.026 176.519 0.018 0.000 1.294 184 W CA -0.215 57.121 57.345 -0.015 0.000 1.231 184 W CB 0.610 30.047 29.460 -0.039 0.000 1.143 184 W HN 0.617 nan 8.180 nan 0.000 0.571 185 E N 1.620 121.988 120.200 0.280 0.000 2.047 185 E HA -0.146 4.147 4.350 -0.095 0.000 0.191 185 E C 0.021 176.672 176.600 0.084 0.000 0.987 185 E CA 1.047 57.540 56.400 0.155 0.000 0.799 185 E CB 0.149 29.917 29.700 0.112 0.000 0.752 185 E HN 0.345 nan 8.360 nan 0.000 0.449 186 K N 2.128 122.553 120.400 0.042 0.000 2.419 186 K HA 0.150 4.412 4.320 -0.095 0.000 0.244 186 K C -0.333 176.161 176.600 -0.178 0.000 1.045 186 K CA -0.298 55.935 56.287 -0.090 0.000 1.004 186 K CB 1.451 33.849 32.500 -0.168 0.000 1.376 186 K HN 0.118 nan 8.250 nan 0.000 0.460 187 T N -0.898 113.628 114.554 -0.046 0.000 2.701 187 T HA 0.244 4.536 4.350 -0.095 0.000 0.303 187 T C 0.209 174.788 174.700 -0.201 0.000 1.030 187 T CA -0.179 61.935 62.100 0.023 0.000 1.010 187 T CB 0.289 69.259 68.868 0.169 0.000 1.007 187 T HN 0.124 nan 8.240 nan 0.000 0.532 188 F N 0.041 119.988 119.950 -0.006 0.000 2.470 188 F HA 0.498 4.965 4.527 -0.100 0.000 0.329 188 F C 0.955 176.754 175.800 -0.001 0.000 1.072 188 F CA -1.135 56.834 58.000 -0.052 0.000 0.989 188 F CB 1.663 40.624 39.000 -0.067 0.000 1.193 188 F HN 0.376 nan 8.300 nan 0.000 0.481 189 K N 1.116 121.625 120.400 0.181 0.000 2.172 189 K HA 0.112 4.374 4.320 -0.095 0.000 0.276 189 K C 0.042 176.718 176.600 0.127 0.000 1.013 189 K CA -0.578 55.781 56.287 0.119 0.000 0.913 189 K CB 1.308 33.853 32.500 0.076 0.000 1.055 189 K HN 0.544 nan 8.250 nan 0.000 0.461 190 D N 2.835 123.293 120.400 0.097 0.000 2.092 190 D HA -0.208 4.375 4.640 -0.095 0.000 0.193 190 D C 1.542 177.885 176.300 0.070 0.000 0.994 190 D CA 1.677 55.723 54.000 0.077 0.000 0.828 190 D CB 0.282 41.117 40.800 0.059 0.000 0.963 190 D HN 0.679 nan 8.370 nan 0.000 0.450 191 E N 0.249 120.489 120.200 0.066 0.000 2.114 191 E HA -0.214 4.078 4.350 -0.095 0.000 0.199 191 E C 1.027 177.674 176.600 0.078 0.000 1.008 191 E CA 1.319 57.756 56.400 0.062 0.000 0.810 191 E CB -0.349 29.384 29.700 0.055 0.000 0.739 191 E HN 0.244 nan 8.360 nan 0.000 0.456 192 D N 0.957 121.423 120.400 0.110 0.000 2.378 192 D HA 0.004 4.587 4.640 -0.095 0.000 0.227 192 D C -0.165 176.227 176.300 0.154 0.000 1.012 192 D CA 0.615 54.711 54.000 0.160 0.000 0.905 192 D CB 0.010 40.958 40.800 0.245 0.000 0.895 192 D HN 0.070 nan 8.370 nan 0.000 0.532 193 T N 1.429 116.045 114.554 0.103 0.000 2.728 193 T HA 0.336 4.629 4.350 -0.095 0.000 0.296 193 T C 0.383 175.117 174.700 0.056 0.000 0.940 193 T CA -0.352 61.791 62.100 0.073 0.000 1.013 193 T CB 1.497 70.389 68.868 0.039 0.000 0.912 193 T HN -0.025 nan 8.240 nan 0.000 0.484 194 Q N 0.898 120.733 119.800 0.059 0.000 2.552 194 Q HA 0.751 5.034 4.340 -0.095 0.000 0.289 194 Q C -0.547 175.477 176.000 0.040 0.000 1.097 194 Q CA -1.213 54.615 55.803 0.042 0.000 0.812 194 Q CB 1.927 30.687 28.738 0.036 0.000 1.460 194 Q HN 0.723 nan 8.270 nan 0.000 0.452 195 A N 1.020 123.858 122.820 0.030 0.000 2.351 195 A HA 0.701 4.964 4.320 -0.095 0.000 0.257 195 A C -0.544 177.060 177.584 0.032 0.000 1.087 195 A CA 0.069 52.123 52.037 0.029 0.000 0.798 195 A CB 0.533 19.545 19.000 0.021 0.000 1.033 195 A HN 0.715 nan 8.150 nan 0.000 0.488 196 M N 2.030 121.656 119.600 0.042 0.000 2.523 196 M HA 0.365 4.788 4.480 -0.095 0.000 0.287 196 M C -2.967 173.369 176.300 0.060 0.000 1.160 196 M CA -1.453 53.870 55.300 0.037 0.000 0.902 196 M CB 2.707 35.331 32.600 0.039 0.000 1.752 196 M HN 0.470 nan 8.290 nan 0.000 0.504 197 P HA 0.175 nan 4.420 nan 0.000 0.276 197 P C -1.441 175.914 177.300 0.092 0.000 1.243 197 P CA 0.112 63.247 63.100 0.059 0.000 0.768 197 P CB 0.089 31.796 31.700 0.012 0.000 0.856 198 F N 5.003 124.963 119.950 0.017 0.000 2.334 198 F HA 0.333 4.800 4.527 -0.099 0.000 0.367 198 F C 0.747 176.573 175.800 0.042 0.000 1.115 198 F CA -0.973 57.051 58.000 0.040 0.000 1.116 198 F CB 0.897 39.925 39.000 0.047 0.000 1.230 198 F HN 0.147 nan 8.300 nan 0.000 0.484 199 R N 5.718 126.089 120.500 -0.215 0.000 2.459 199 R HA 0.148 4.431 4.340 -0.095 0.000 0.301 199 R C 0.885 177.168 176.300 -0.027 0.000 1.286 199 R CA -0.261 55.781 56.100 -0.097 0.000 1.046 199 R CB 0.321 30.534 30.300 -0.146 0.000 1.071 199 R HN 0.628 nan 8.270 nan 0.000 0.512 200 V N 1.695 121.713 119.914 0.173 0.000 2.222 200 V HA -0.201 3.862 4.120 -0.095 0.000 0.240 200 V C 1.528 177.692 176.094 0.116 0.000 1.040 200 V CA 2.149 64.585 62.300 0.228 0.000 0.988 200 V CB -0.355 31.586 31.823 0.196 0.000 0.633 200 V HN 0.815 nan 8.190 nan 0.000 0.452 201 T N -2.113 112.487 114.554 0.076 0.000 2.881 201 T HA 0.241 4.534 4.350 -0.095 0.000 0.278 201 T C 0.728 175.436 174.700 0.013 0.000 0.982 201 T CA -0.156 61.971 62.100 0.045 0.000 0.989 201 T CB 1.439 70.330 68.868 0.038 0.000 1.058 201 T HN 0.427 nan 8.240 nan 0.000 0.529 202 E N -0.295 119.904 120.200 -0.002 0.000 2.515 202 E HA -0.088 4.205 4.350 -0.095 0.000 0.201 202 E C 0.195 176.781 176.600 -0.024 0.000 1.071 202 E CA 0.407 56.791 56.400 -0.028 0.000 0.880 202 E CB 0.093 29.777 29.700 -0.028 0.000 0.828 202 E HN 0.400 nan 8.360 nan 0.000 0.540 203 Q N 0.786 120.582 119.800 -0.008 0.000 3.712 203 Q HA 0.190 4.473 4.340 -0.095 0.000 0.242 203 Q C -1.731 174.273 176.000 0.007 0.000 0.837 203 Q CA -0.006 55.794 55.803 -0.005 0.000 0.826 203 Q CB 0.854 29.590 28.738 -0.004 0.000 1.529 203 Q HN 0.348 nan 8.270 nan 0.000 0.405 204 E N 0.112 120.319 120.200 0.012 0.000 3.939 204 E HA 0.210 4.503 4.350 -0.095 0.000 0.383 204 E C -1.527 175.099 176.600 0.044 0.000 1.054 204 E CA 0.083 56.500 56.400 0.028 0.000 0.820 204 E CB 0.500 30.223 29.700 0.037 0.000 1.254 204 E HN 0.182 nan 8.360 nan 0.000 0.517 205 S N 2.974 118.700 115.700 0.043 0.000 2.739 205 S HA 0.766 5.179 4.470 -0.095 0.000 0.306 205 S C -1.096 173.553 174.600 0.082 0.000 1.115 205 S CA -0.826 57.413 58.200 0.064 0.000 0.985 205 S CB 1.789 65.009 63.200 0.034 0.000 1.133 205 S HN 0.488 nan 8.310 nan 0.000 0.541 206 K N 0.827 121.296 120.400 0.115 0.000 2.569 206 K HA 0.387 4.650 4.320 -0.095 0.000 0.259 206 K C -3.358 173.304 176.600 0.103 0.000 0.932 206 K CA -1.691 54.653 56.287 0.096 0.000 0.833 206 K CB 1.736 34.292 32.500 0.093 0.000 1.340 206 K HN 0.209 nan 8.250 nan 0.000 0.429 207 P HA 0.073 nan 4.420 nan 0.000 0.271 207 P C -1.241 176.085 177.300 0.044 0.000 1.226 207 P CA -0.435 62.696 63.100 0.052 0.000 0.765 207 P CB 0.873 32.591 31.700 0.030 0.000 0.835 208 V N 0.767 120.716 119.914 0.058 0.000 2.932 208 V HA 0.385 4.448 4.120 -0.095 0.000 0.307 208 V C -0.672 175.445 176.094 0.038 0.000 1.147 208 V CA -1.072 61.248 62.300 0.033 0.000 0.951 208 V CB 2.177 34.018 31.823 0.030 0.000 1.031 208 V HN 0.163 nan 8.190 nan 0.000 0.426 209 Q N 3.078 122.885 119.800 0.011 0.000 2.244 209 Q HA 0.281 4.563 4.340 -0.095 0.000 0.276 209 Q C -0.499 175.509 176.000 0.014 0.000 1.122 209 Q CA 0.400 56.209 55.803 0.011 0.000 0.920 209 Q CB 0.892 29.626 28.738 -0.007 0.000 1.186 209 Q HN 0.854 nan 8.270 nan 0.000 0.393 210 M N 4.234 123.859 119.600 0.042 0.000 2.088 210 M HA 0.290 4.712 4.480 -0.095 0.000 0.346 210 M C -0.695 175.629 176.300 0.040 0.000 1.111 210 M CA 0.097 55.435 55.300 0.063 0.000 1.017 210 M CB 0.690 33.370 32.600 0.132 0.000 1.568 210 M HN 0.514 nan 8.290 nan 0.000 0.445 211 M N 4.022 123.568 119.600 -0.090 0.000 2.241 211 M HA 0.295 4.718 4.480 -0.095 0.000 0.335 211 M C -1.058 175.225 176.300 -0.028 0.000 1.122 211 M CA -0.062 55.109 55.300 -0.215 0.000 1.164 211 M CB 0.782 32.905 32.600 -0.794 0.000 1.459 211 M HN 0.692 nan 8.290 nan 0.000 0.461 212 Y N 1.519 121.815 120.300 -0.007 0.000 2.552 212 Y HA 0.499 4.992 4.550 -0.095 0.000 0.337 212 Y C -1.474 174.518 175.900 0.154 0.000 1.094 212 Y CA -0.693 57.402 58.100 -0.009 0.000 1.028 212 Y CB 1.613 39.956 38.460 -0.194 0.000 1.321 212 Y HN 0.747 nan 8.280 nan 0.000 0.456 213 Q N 4.912 124.066 119.800 -1.076 0.000 2.647 213 Q HA 0.619 4.901 4.340 -0.095 0.000 0.283 213 Q C -2.344 173.148 176.000 -0.847 0.000 0.943 213 Q CA -0.964 54.285 55.803 -0.924 0.000 0.813 213 Q CB 2.087 30.481 28.738 -0.573 0.000 1.477 213 Q HN 0.725 nan 8.270 nan 0.000 0.393 214 I N 0.555 120.804 120.570 -0.535 0.000 2.603 214 I HA 0.925 5.038 4.170 -0.095 0.000 0.300 214 I C 0.138 176.115 176.117 -0.233 0.000 1.017 214 I CA -0.607 60.525 61.300 -0.281 0.000 1.098 214 I CB 2.152 40.052 38.000 -0.167 0.000 1.279 214 I HN 0.957 nan 8.210 nan 0.000 0.437 215 G N 4.622 113.296 108.800 -0.210 0.000 2.315 215 G HA2 0.307 4.210 3.960 -0.095 0.000 0.294 215 G HA3 0.307 4.210 3.960 -0.095 0.000 0.294 215 G C -1.724 172.893 174.900 -0.471 0.000 1.300 215 G CA -0.997 43.872 45.100 -0.385 0.000 0.843 215 G HN 0.399 nan 8.290 nan 0.000 0.527 216 L N 0.264 121.124 121.223 -0.605 0.000 2.290 216 L HA 0.701 4.984 4.340 -0.095 0.000 0.284 216 L C -0.835 175.585 176.870 -0.749 0.000 1.078 216 L CA -0.228 54.326 54.840 -0.476 0.000 0.815 216 L CB 0.517 42.387 42.059 -0.315 0.000 1.162 216 L HN 0.353 nan 8.230 nan 0.000 0.435 217 F N 1.295 121.161 119.950 -0.141 0.000 2.619 217 F HA 0.477 4.950 4.527 -0.092 0.000 0.308 217 F C 0.094 175.818 175.800 -0.127 0.000 1.097 217 F CA -0.903 57.001 58.000 -0.160 0.000 0.953 217 F CB 1.620 40.485 39.000 -0.226 0.000 1.287 217 F HN 0.287 nan 8.300 nan 0.000 0.446 218 R N 1.508 122.071 120.500 0.105 0.000 2.390 218 R HA 0.742 5.025 4.340 -0.095 0.000 0.291 218 R C -1.123 175.173 176.300 -0.007 0.000 1.070 218 R CA -0.465 55.655 56.100 0.033 0.000 1.014 218 R CB 1.375 31.691 30.300 0.027 0.000 1.007 218 R HN 0.429 nan 8.270 nan 0.000 0.466 219 V N 0.547 120.457 119.914 -0.006 0.000 3.159 219 V HA 0.759 4.822 4.120 -0.095 0.000 0.308 219 V C -0.924 175.176 176.094 0.010 0.000 1.190 219 V CA -1.060 61.226 62.300 -0.024 0.000 1.037 219 V CB 2.203 34.018 31.823 -0.013 0.000 1.060 219 V HN 0.897 nan 8.190 nan 0.000 0.437 220 A N 1.000 123.830 122.820 0.017 0.000 2.427 220 A HA 0.786 5.049 4.320 -0.095 0.000 0.298 220 A C -0.707 176.881 177.584 0.007 0.000 1.036 220 A CA -0.405 51.645 52.037 0.022 0.000 0.701 220 A CB 1.920 20.943 19.000 0.038 0.000 1.250 220 A HN 0.830 nan 8.150 nan 0.000 0.412 221 S N 2.625 118.326 115.700 0.001 0.000 2.429 221 S HA 0.525 4.938 4.470 -0.095 0.000 0.302 221 S C 0.093 174.660 174.600 -0.054 0.000 1.115 221 S CA -0.525 57.666 58.200 -0.016 0.000 1.095 221 S CB 0.044 63.246 63.200 0.003 0.000 0.987 221 S HN 0.525 nan 8.310 nan 0.000 0.474 222 M N 4.388 123.920 119.600 -0.113 0.000 3.123 222 M HA 0.300 4.723 4.480 -0.095 0.000 0.283 222 M C 0.484 176.719 176.300 -0.108 0.000 1.191 222 M CA -0.561 54.639 55.300 -0.167 0.000 1.012 222 M CB -0.687 31.675 32.600 -0.397 0.000 1.247 222 M HN 0.683 nan 8.290 nan 0.000 0.542 223 A N 1.541 124.328 122.820 -0.056 0.000 2.618 223 A HA 0.379 4.641 4.320 -0.095 0.000 0.293 223 A C 1.016 178.585 177.584 -0.024 0.000 1.413 223 A CA 0.830 52.845 52.037 -0.035 0.000 1.074 223 A CB -0.556 18.432 19.000 -0.019 0.000 1.087 223 A HN 0.814 nan 8.150 nan 0.000 0.553 224 S N 0.071 115.755 115.700 -0.026 0.000 4.530 224 S HA -0.040 4.373 4.470 -0.095 0.000 0.055 224 S C 0.164 174.762 174.600 -0.004 0.000 0.852 224 S CA 0.363 58.560 58.200 -0.004 0.000 1.039 224 S CB -0.927 62.280 63.200 0.012 0.000 0.509 224 S HN 0.548 nan 8.310 nan 0.000 0.791 225 E N 1.187 121.362 120.200 -0.042 0.000 2.702 225 E HA 0.346 4.639 4.350 -0.095 0.000 0.225 225 E C -0.649 175.906 176.600 -0.074 0.000 0.942 225 E CA -0.202 56.164 56.400 -0.057 0.000 1.210 225 E CB 0.504 30.119 29.700 -0.141 0.000 1.143 225 E HN 0.230 nan 8.360 nan 0.000 0.544 226 K N 0.286 120.648 120.400 -0.063 0.000 3.148 226 K HA -0.206 4.057 4.320 -0.095 0.000 0.267 226 K C -0.433 176.130 176.600 -0.062 0.000 0.996 226 K CA 1.362 57.619 56.287 -0.049 0.000 0.737 226 K CB -2.346 30.139 32.500 -0.025 0.000 1.308 226 K HN 0.466 nan 8.250 nan 0.000 0.470 227 M N -2.739 116.796 119.600 -0.107 0.000 2.644 227 M HA 0.595 5.018 4.480 -0.095 0.000 0.273 227 M C -1.149 175.087 176.300 -0.107 0.000 1.253 227 M CA -1.000 54.234 55.300 -0.110 0.000 0.852 227 M CB 2.478 34.972 32.600 -0.176 0.000 1.708 227 M HN -0.060 nan 8.290 nan 0.000 0.471 228 K N 0.988 121.370 120.400 -0.029 0.000 2.443 228 K HA 0.843 5.106 4.320 -0.095 0.000 0.251 228 K C -1.624 175.063 176.600 0.146 0.000 0.972 228 K CA -0.687 55.638 56.287 0.063 0.000 0.833 228 K CB 3.053 35.657 32.500 0.173 0.000 1.317 228 K HN 0.692 nan 8.250 nan 0.000 0.441 229 I N 2.482 123.125 120.570 0.121 0.000 2.499 229 I HA 0.302 4.414 4.170 -0.095 0.000 0.288 229 I C -1.402 174.679 176.117 -0.061 0.000 1.048 229 I CA -1.071 60.286 61.300 0.094 0.000 1.062 229 I CB 1.743 39.793 38.000 0.084 0.000 1.238 229 I HN 0.306 nan 8.210 nan 0.000 0.426 230 L N 6.262 127.327 121.223 -0.263 0.000 2.322 230 L HA 0.506 4.788 4.340 -0.095 0.000 0.281 230 L C -0.390 176.281 176.870 -0.332 0.000 1.014 230 L CA -0.001 54.490 54.840 -0.582 0.000 0.815 230 L CB 1.663 42.808 42.059 -1.524 0.000 1.247 230 L HN 0.638 nan 8.230 nan 0.000 0.421 231 E N 5.144 125.197 120.200 -0.245 0.000 2.113 231 E HA 0.429 4.722 4.350 -0.095 0.000 0.273 231 E C -1.623 174.866 176.600 -0.185 0.000 0.924 231 E CA -0.523 55.803 56.400 -0.123 0.000 0.764 231 E CB 0.937 30.631 29.700 -0.011 0.000 1.104 231 E HN 0.734 nan 8.360 nan 0.000 0.406 232 L N 7.891 128.992 121.223 -0.203 0.000 2.297 232 L HA 0.414 4.697 4.340 -0.095 0.000 0.277 232 L C -2.087 174.756 176.870 -0.046 0.000 1.040 232 L CA -2.051 52.616 54.840 -0.289 0.000 0.867 232 L CB 1.156 42.849 42.059 -0.611 0.000 1.244 232 L HN 0.453 nan 8.230 nan 0.000 0.433 233 P HA 0.097 nan 4.420 nan 0.000 0.271 233 P C -0.643 176.736 177.300 0.131 0.000 1.218 233 P CA -0.121 63.052 63.100 0.121 0.000 0.780 233 P CB 0.775 32.547 31.700 0.119 0.000 0.901 234 F N 0.641 120.746 119.950 0.257 0.000 2.370 234 F HA 0.327 4.788 4.527 -0.111 0.000 0.324 234 F C 2.008 177.900 175.800 0.153 0.000 1.116 234 F CA -0.077 58.061 58.000 0.230 0.000 1.123 234 F CB 0.280 39.354 39.000 0.123 0.000 1.238 234 F HN 0.362 nan 8.300 nan 0.000 0.536 235 A N 0.518 123.534 122.820 0.327 0.000 2.019 235 A HA -0.167 4.096 4.320 -0.095 0.000 0.219 235 A C 2.187 179.883 177.584 0.186 0.000 1.164 235 A CA 1.820 53.986 52.037 0.216 0.000 0.644 235 A CB -1.220 17.896 19.000 0.193 0.000 0.805 235 A HN 0.773 nan 8.150 nan 0.000 0.449 236 S N -1.553 114.266 115.700 0.199 0.000 2.399 236 S HA 0.190 4.602 4.470 -0.095 0.000 0.231 236 S C 1.767 176.432 174.600 0.109 0.000 1.022 236 S CA 1.502 59.800 58.200 0.164 0.000 0.983 236 S CB -0.743 62.482 63.200 0.042 0.000 0.803 236 S HN 1.960 nan 8.310 nan 0.000 0.480 237 G N 0.432 109.290 108.800 0.098 0.000 2.176 237 G HA2 -0.308 3.595 3.960 -0.095 0.000 0.253 237 G HA3 -0.308 3.595 3.960 -0.095 0.000 0.253 237 G C 0.865 175.772 174.900 0.013 0.000 0.979 237 G CA 1.023 46.161 45.100 0.064 0.000 0.641 237 G HN 1.235 nan 8.290 nan 0.000 0.530 238 T N -2.110 112.429 114.554 -0.026 0.000 3.023 238 T HA 0.691 4.984 4.350 -0.095 0.000 0.253 238 T C 0.743 175.326 174.700 -0.196 0.000 1.038 238 T CA 0.698 62.715 62.100 -0.139 0.000 0.962 238 T CB 0.255 69.071 68.868 -0.087 0.000 1.018 238 T HN 0.469 nan 8.240 nan 0.000 0.521 239 M N 1.390 120.964 119.600 -0.042 0.000 2.531 239 M HA 0.618 5.041 4.480 -0.095 0.000 0.286 239 M C -1.281 175.242 176.300 0.370 0.000 1.232 239 M CA -0.827 54.511 55.300 0.063 0.000 0.877 239 M CB 2.801 35.344 32.600 -0.094 0.000 1.726 239 M HN 0.200 nan 8.290 nan 0.000 0.463 240 S N 1.349 117.293 115.700 0.407 0.000 2.570 240 S HA 0.787 5.200 4.470 -0.095 0.000 0.270 240 S C -1.218 173.651 174.600 0.449 0.000 1.149 240 S CA -1.003 57.449 58.200 0.420 0.000 0.837 240 S CB 2.346 65.670 63.200 0.206 0.000 1.124 240 S HN 0.890 nan 8.310 nan 0.000 0.465 241 M N 2.587 122.413 119.600 0.377 0.000 2.227 241 M HA 0.557 4.980 4.480 -0.095 0.000 0.335 241 M C -2.031 174.412 176.300 0.238 0.000 1.053 241 M CA -0.801 54.742 55.300 0.405 0.000 0.973 241 M CB 0.840 33.746 32.600 0.510 0.000 1.623 241 M HN 0.751 nan 8.290 nan 0.000 0.434 242 L N 5.642 127.020 121.223 0.259 0.000 2.295 242 L HA 0.596 4.879 4.340 -0.095 0.000 0.285 242 L C -0.973 176.042 176.870 0.242 0.000 1.035 242 L CA -0.962 53.994 54.840 0.194 0.000 0.806 242 L CB 1.733 43.923 42.059 0.218 0.000 1.214 242 L HN 0.469 nan 8.230 nan 0.000 0.426 243 V N 4.881 124.889 119.914 0.155 0.000 2.378 243 V HA 0.325 4.388 4.120 -0.095 0.000 0.288 243 V C -0.273 175.985 176.094 0.273 0.000 1.016 243 V CA -0.519 61.919 62.300 0.230 0.000 0.840 243 V CB 1.654 33.535 31.823 0.096 0.000 0.994 243 V HN 0.411 nan 8.190 nan 0.000 0.431 244 L N 6.344 127.757 121.223 0.317 0.000 2.255 244 L HA 0.532 4.815 4.340 -0.095 0.000 0.289 244 L C -0.454 176.561 176.870 0.243 0.000 1.046 244 L CA -0.028 54.967 54.840 0.259 0.000 0.816 244 L CB 1.168 43.386 42.059 0.264 0.000 1.197 244 L HN 0.506 nan 8.230 nan 0.000 0.427 245 L N 7.283 128.598 121.223 0.155 0.000 2.298 245 L HA 0.702 4.985 4.340 -0.095 0.000 0.284 245 L C -2.347 174.517 176.870 -0.009 0.000 1.013 245 L CA -1.642 53.195 54.840 -0.005 0.000 0.824 245 L CB 1.534 43.397 42.059 -0.326 0.000 1.221 245 L HN 0.319 nan 8.230 nan 0.000 0.418 246 P HA 0.145 nan 4.420 nan 0.000 0.279 246 P C -0.498 176.883 177.300 0.135 0.000 1.239 246 P CA -0.197 62.946 63.100 0.071 0.000 0.789 246 P CB 1.256 33.021 31.700 0.109 0.000 0.933 247 D N 1.378 121.813 120.400 0.058 0.000 2.097 247 D HA -0.112 4.471 4.640 -0.095 0.000 0.195 247 D C 0.344 176.631 176.300 -0.022 0.000 0.989 247 D CA 1.504 55.524 54.000 0.033 0.000 0.827 247 D CB 0.226 41.015 40.800 -0.018 0.000 0.966 247 D HN 0.554 nan 8.370 nan 0.000 0.456 248 E N 0.410 120.592 120.200 -0.029 0.000 2.313 248 E HA 0.107 4.399 4.350 -0.095 0.000 0.276 248 E C 1.329 177.869 176.600 -0.101 0.000 1.031 248 E CA -0.473 55.872 56.400 -0.093 0.000 0.857 248 E CB 2.211 31.884 29.700 -0.047 0.000 1.040 248 E HN -0.202 nan 8.360 nan 0.000 0.408 249 V N 2.266 122.032 119.914 -0.247 0.000 2.613 249 V HA -0.274 3.789 4.120 -0.095 0.000 0.259 249 V C 1.415 177.509 176.094 -0.001 0.000 1.099 249 V CA 2.371 64.542 62.300 -0.215 0.000 1.115 249 V CB -0.672 31.024 31.823 -0.211 0.000 0.686 249 V HN 0.731 nan 8.190 nan 0.000 0.481 250 S N -1.445 114.262 115.700 0.011 0.000 2.941 250 S HA 0.322 4.734 4.470 -0.095 0.000 0.251 250 S C 1.279 175.915 174.600 0.060 0.000 1.029 250 S CA 0.216 58.444 58.200 0.047 0.000 1.062 250 S CB 0.718 63.934 63.200 0.026 0.000 0.977 250 S HN 0.426 nan 8.310 nan 0.000 0.552 251 G N 1.256 110.098 108.800 0.070 0.000 2.920 251 G HA2 0.132 4.035 3.960 -0.095 0.000 0.208 251 G HA3 0.132 4.035 3.960 -0.095 0.000 0.208 251 G C 0.984 175.942 174.900 0.097 0.000 1.159 251 G CA 0.174 45.316 45.100 0.068 0.000 0.784 251 G HN 0.457 nan 8.290 nan 0.000 0.535 252 L N 1.508 122.803 121.223 0.121 0.000 2.056 252 L HA -0.000 4.282 4.340 -0.095 0.000 0.207 252 L C 2.775 179.734 176.870 0.149 0.000 1.078 252 L CA 2.257 57.187 54.840 0.150 0.000 0.749 252 L CB -0.477 41.680 42.059 0.163 0.000 0.901 252 L HN 0.561 nan 8.230 nan 0.000 0.433 253 E N -1.197 119.073 120.200 0.117 0.000 2.401 253 E HA -0.286 4.007 4.350 -0.095 0.000 0.199 253 E C 1.862 178.519 176.600 0.095 0.000 1.023 253 E CA 1.159 57.619 56.400 0.101 0.000 0.859 253 E CB -0.353 29.390 29.700 0.071 0.000 0.780 253 E HN 0.772 nan 8.360 nan 0.000 0.523 254 Q N 0.379 120.238 119.800 0.097 0.000 2.324 254 Q HA -0.005 4.278 4.340 -0.095 0.000 0.207 254 Q C 2.134 178.206 176.000 0.121 0.000 0.928 254 Q CA 0.072 55.929 55.803 0.090 0.000 0.890 254 Q CB 0.111 28.890 28.738 0.069 0.000 1.001 254 Q HN 0.349 nan 8.270 nan 0.000 0.517 255 L N 1.604 122.912 121.223 0.142 0.000 2.093 255 L HA -0.091 4.191 4.340 -0.095 0.000 0.208 255 L C 1.521 178.535 176.870 0.241 0.000 1.085 255 L CA 1.875 56.826 54.840 0.186 0.000 0.755 255 L CB -0.203 41.960 42.059 0.174 0.000 0.904 255 L HN 0.210 nan 8.230 nan 0.000 0.435 256 E N -1.030 119.327 120.200 0.260 0.000 2.472 256 E HA -0.108 4.185 4.350 -0.095 0.000 0.200 256 E C 1.865 178.609 176.600 0.240 0.000 1.046 256 E CA 0.848 57.460 56.400 0.354 0.000 0.871 256 E CB -0.016 29.913 29.700 0.382 0.000 0.806 256 E HN 0.548 nan 8.360 nan 0.000 0.533 257 S N 1.055 116.851 115.700 0.161 0.000 2.404 257 S HA -0.027 4.385 4.470 -0.095 0.000 0.223 257 S C 1.927 176.576 174.600 0.082 0.000 1.040 257 S CA 0.405 58.665 58.200 0.101 0.000 0.957 257 S CB 0.118 63.364 63.200 0.076 0.000 0.826 257 S HN 0.344 nan 8.310 nan 0.000 0.491 258 I N 0.008 120.642 120.570 0.107 0.000 3.860 258 I HA 0.384 4.497 4.170 -0.095 0.000 0.319 258 I C 0.551 176.674 176.117 0.010 0.000 1.279 258 I CA -0.116 61.228 61.300 0.074 0.000 1.220 258 I CB -1.035 37.043 38.000 0.129 0.000 1.027 258 I HN 0.174 nan 8.210 nan 0.000 0.428 259 I N 4.288 124.882 120.570 0.038 0.000 2.648 259 I HA 0.094 4.207 4.170 -0.095 0.000 0.284 259 I C -0.354 175.465 176.117 -0.496 0.000 1.153 259 I CA 0.290 61.496 61.300 -0.157 0.000 1.426 259 I CB 0.186 38.193 38.000 0.010 0.000 1.381 259 I HN 0.602 nan 8.210 nan 0.000 0.571 260 N N 4.618 122.834 118.700 -0.807 0.000 3.261 260 N HA 0.074 4.757 4.740 -0.095 0.000 0.248 260 N C -0.091 175.025 175.510 -0.657 0.000 1.498 260 N CA -0.762 51.749 53.050 -0.899 0.000 0.884 260 N CB 0.018 38.299 38.487 -0.343 0.000 1.428 260 N HN 0.362 nan 8.380 nan 0.000 0.517 261 F N 0.607 120.396 119.950 -0.269 0.000 2.120 261 F HA -0.028 4.425 4.527 -0.123 0.000 0.300 261 F C 1.790 177.512 175.800 -0.130 0.000 1.095 261 F CA 1.909 59.919 58.000 0.017 0.000 1.249 261 F CB -0.285 38.782 39.000 0.110 0.000 0.995 261 F HN 0.672 nan 8.300 nan 0.000 0.480 262 E N 0.113 120.142 120.200 -0.286 0.000 2.012 262 E HA -0.246 4.046 4.350 -0.095 0.000 0.197 262 E C 2.255 178.536 176.600 -0.531 0.000 1.007 262 E CA 1.576 57.733 56.400 -0.406 0.000 0.816 262 E CB -0.183 29.363 29.700 -0.256 0.000 0.762 262 E HN 0.220 nan 8.360 nan 0.000 0.451 263 K N 0.614 120.627 120.400 -0.645 0.000 2.044 263 K HA -0.199 4.063 4.320 -0.095 0.000 0.210 263 K C 2.241 178.107 176.600 -1.224 0.000 1.049 263 K CA 0.833 56.421 56.287 -1.164 0.000 0.927 263 K CB -0.756 30.867 32.500 -1.463 0.000 0.713 263 K HN 0.092 nan 8.250 nan 0.000 0.443 264 L N 1.581 122.382 121.223 -0.704 0.000 2.012 264 L HA -0.169 4.114 4.340 -0.095 0.000 0.210 264 L C 2.165 178.943 176.870 -0.154 0.000 1.073 264 L CA 1.977 56.691 54.840 -0.210 0.000 0.748 264 L CB -1.108 41.010 42.059 0.097 0.000 0.891 264 L HN 0.201 nan 8.230 nan 0.000 0.431 265 T N -1.068 113.294 114.554 -0.321 0.000 2.788 265 T HA -0.225 4.067 4.350 -0.095 0.000 0.268 265 T C 1.777 176.352 174.700 -0.210 0.000 1.044 265 T CA 1.552 63.467 62.100 -0.308 0.000 1.139 265 T CB -0.173 68.326 68.868 -0.616 0.000 0.867 265 T HN 0.453 nan 8.240 nan 0.000 0.454 266 E N -0.487 119.531 120.200 -0.302 0.000 2.072 266 E HA -0.131 4.162 4.350 -0.095 0.000 0.191 266 E C 1.692 178.297 176.600 0.008 0.000 0.985 266 E CA 0.967 57.245 56.400 -0.203 0.000 0.801 266 E CB 0.025 29.526 29.700 -0.332 0.000 0.750 266 E HN 0.567 nan 8.360 nan 0.000 0.452 267 W N 0.181 121.467 121.300 -0.023 0.000 2.678 267 W HA 0.059 4.654 4.660 -0.109 0.000 0.256 267 W C 1.381 177.910 176.519 0.017 0.000 1.280 267 W CA 0.585 57.934 57.345 0.006 0.000 1.345 267 W CB -0.422 29.053 29.460 0.025 0.000 1.118 267 W HN 0.014 nan 8.180 nan 0.000 0.629 268 T N -0.507 114.172 114.554 0.208 0.000 3.186 268 T HA 0.064 4.356 4.350 -0.095 0.000 0.257 268 T C 0.901 175.651 174.700 0.084 0.000 1.029 268 T CA 0.083 62.267 62.100 0.141 0.000 0.916 268 T CB 0.290 69.238 68.868 0.133 0.000 1.041 268 T HN -0.140 nan 8.240 nan 0.000 0.562 269 S N 0.522 116.266 115.700 0.073 0.000 2.626 269 S HA 0.173 4.586 4.470 -0.095 0.000 0.257 269 S C 1.691 176.318 174.600 0.044 0.000 1.288 269 S CA -0.469 57.756 58.200 0.042 0.000 0.980 269 S CB 0.683 63.902 63.200 0.031 0.000 0.975 269 S HN 0.299 nan 8.310 nan 0.000 0.577 270 S N 2.108 117.826 115.700 0.030 0.000 2.345 270 S HA -0.096 4.317 4.470 -0.095 0.000 0.219 270 S C 1.681 176.298 174.600 0.028 0.000 1.031 270 S CA 1.020 59.236 58.200 0.026 0.000 0.984 270 S CB -0.589 62.622 63.200 0.018 0.000 0.874 270 S HN 0.875 nan 8.310 nan 0.000 0.451 271 N N 1.813 120.529 118.700 0.027 0.000 2.609 271 N HA -0.033 4.650 4.740 -0.095 0.000 0.190 271 N C 1.170 176.702 175.510 0.036 0.000 1.157 271 N CA 0.553 53.619 53.050 0.027 0.000 0.918 271 N CB -0.189 38.313 38.487 0.024 0.000 0.978 271 N HN 0.334 nan 8.380 nan 0.000 0.448 272 V N 0.130 120.072 119.914 0.048 0.000 2.690 272 V HA 0.192 4.255 4.120 -0.095 0.000 0.240 272 V C 1.244 177.368 176.094 0.050 0.000 1.078 272 V CA 0.583 62.919 62.300 0.061 0.000 1.102 272 V CB -0.019 31.864 31.823 0.099 0.000 0.800 272 V HN 0.136 nan 8.190 nan 0.000 0.479 273 M N 1.980 121.609 119.600 0.049 0.000 2.188 273 M HA 0.421 4.844 4.480 -0.095 0.000 0.357 273 M C -0.384 175.931 176.300 0.026 0.000 1.204 273 M CA 0.176 55.499 55.300 0.038 0.000 1.095 273 M CB 1.126 33.752 32.600 0.043 0.000 1.604 273 M HN 0.465 nan 8.290 nan 0.000 0.464 274 E N 1.694 121.906 120.200 0.020 0.000 2.340 274 E HA 0.391 4.684 4.350 -0.095 0.000 0.273 274 E C -1.476 175.128 176.600 0.008 0.000 0.891 274 E CA -1.001 55.407 56.400 0.012 0.000 0.757 274 E CB 2.063 31.770 29.700 0.012 0.000 1.231 274 E HN 0.652 nan 8.360 nan 0.000 0.439 275 E N 2.120 122.319 120.200 -0.002 0.000 2.360 275 E HA 0.182 4.475 4.350 -0.095 0.000 0.269 275 E C -0.820 175.772 176.600 -0.015 0.000 1.022 275 E CA -0.033 56.360 56.400 -0.013 0.000 0.887 275 E CB 0.710 30.390 29.700 -0.032 0.000 0.990 275 E HN 0.407 nan 8.360 nan 0.000 0.426 276 R N 2.984 123.476 120.500 -0.014 0.000 2.710 276 R HA 0.269 4.551 4.340 -0.095 0.000 0.270 276 R C -1.096 175.189 176.300 -0.025 0.000 1.021 276 R CA -0.982 55.112 56.100 -0.011 0.000 0.889 276 R CB 1.454 31.762 30.300 0.013 0.000 1.243 276 R HN 0.353 nan 8.270 nan 0.000 0.464 277 K N 3.677 124.059 120.400 -0.029 0.000 2.262 277 K HA 0.435 4.697 4.320 -0.095 0.000 0.282 277 K C -0.570 176.032 176.600 0.004 0.000 1.066 277 K CA -0.297 55.962 56.287 -0.047 0.000 0.901 277 K CB 0.472 32.939 32.500 -0.055 0.000 1.089 277 K HN 0.597 nan 8.250 nan 0.000 0.476 278 I N -0.191 120.400 120.570 0.034 0.000 3.191 278 I HA 0.468 4.581 4.170 -0.095 0.000 0.313 278 I C -1.421 174.745 176.117 0.082 0.000 1.193 278 I CA -1.281 60.068 61.300 0.081 0.000 0.968 278 I CB 2.085 40.155 38.000 0.116 0.000 1.262 278 I HN 0.344 nan 8.210 nan 0.000 0.456 279 K N 2.316 122.795 120.400 0.131 0.000 2.201 279 K HA 0.631 4.894 4.320 -0.095 0.000 0.278 279 K C -1.277 175.405 176.600 0.136 0.000 1.027 279 K CA -0.631 55.732 56.287 0.126 0.000 0.909 279 K CB 2.016 34.728 32.500 0.353 0.000 1.062 279 K HN 0.425 nan 8.250 nan 0.000 0.465 280 V N 4.533 124.393 119.914 -0.091 0.000 2.483 280 V HA 0.292 4.355 4.120 -0.095 0.000 0.297 280 V C -1.387 174.701 176.094 -0.010 0.000 1.027 280 V CA -0.943 61.377 62.300 0.034 0.000 0.855 280 V CB 0.831 32.584 31.823 -0.116 0.000 0.995 280 V HN 0.582 nan 8.190 nan 0.000 0.424 281 Y N 5.381 125.815 120.300 0.223 0.000 2.328 281 Y HA 0.778 5.270 4.550 -0.097 0.000 0.336 281 Y C -0.374 175.534 175.900 0.014 0.000 0.960 281 Y CA -0.975 57.222 58.100 0.162 0.000 1.134 281 Y CB 1.804 40.339 38.460 0.125 0.000 1.166 281 Y HN 0.526 nan 8.280 nan 0.000 0.464 282 L N 7.104 128.335 121.223 0.014 0.000 2.438 282 L HA 0.709 4.992 4.340 -0.095 0.000 0.270 282 L C -2.814 173.972 176.870 -0.141 0.000 0.972 282 L CA -2.410 52.354 54.840 -0.127 0.000 0.831 282 L CB 2.363 44.268 42.059 -0.258 0.000 1.273 282 L HN 0.264 nan 8.230 nan 0.000 0.405 283 P HA 0.224 nan 4.420 nan 0.000 0.277 283 P C -0.972 176.282 177.300 -0.076 0.000 1.240 283 P CA -0.443 62.653 63.100 -0.006 0.000 0.798 283 P CB 0.827 32.589 31.700 0.103 0.000 0.979 284 R N 2.041 122.489 120.500 -0.087 0.000 2.537 284 R HA 0.373 4.656 4.340 -0.095 0.000 0.280 284 R C 0.368 176.612 176.300 -0.093 0.000 1.058 284 R CA 0.183 56.230 56.100 -0.089 0.000 1.057 284 R CB 0.040 30.298 30.300 -0.070 0.000 0.973 284 R HN 0.528 nan 8.270 nan 0.000 0.438 285 M N 1.745 121.279 119.600 -0.110 0.000 2.591 285 M HA 0.397 4.819 4.480 -0.095 0.000 0.306 285 M C -0.677 175.516 176.300 -0.177 0.000 1.190 285 M CA -0.603 54.606 55.300 -0.151 0.000 0.889 285 M CB 2.559 35.050 32.600 -0.181 0.000 1.728 285 M HN 0.309 nan 8.290 nan 0.000 0.458 286 K N 2.749 123.026 120.400 -0.205 0.000 2.687 286 K HA 0.617 4.879 4.320 -0.095 0.000 0.249 286 K C -1.989 174.432 176.600 -0.298 0.000 0.994 286 K CA -0.143 55.986 56.287 -0.264 0.000 0.913 286 K CB 1.295 33.688 32.500 -0.178 0.000 1.202 286 K HN 0.755 nan 8.250 nan 0.000 0.460 287 M N 2.636 121.982 119.600 -0.423 0.000 2.456 287 M HA 0.347 4.770 4.480 -0.095 0.000 0.324 287 M C -1.069 175.028 176.300 -0.339 0.000 1.124 287 M CA -0.763 54.343 55.300 -0.324 0.000 0.959 287 M CB 2.281 34.716 32.600 -0.275 0.000 1.692 287 M HN 0.524 nan 8.290 nan 0.000 0.444 288 E N 2.051 122.168 120.200 -0.139 0.000 2.302 288 E HA 0.323 4.616 4.350 -0.095 0.000 0.263 288 E C -1.678 174.906 176.600 -0.026 0.000 0.897 288 E CA -0.313 56.068 56.400 -0.032 0.000 0.809 288 E CB 1.347 31.062 29.700 0.024 0.000 1.270 288 E HN 0.430 nan 8.360 nan 0.000 0.410 289 E N 2.855 123.042 120.200 -0.022 0.000 2.343 289 E HA 0.479 4.772 4.350 -0.095 0.000 0.270 289 E C -1.259 175.128 176.600 -0.355 0.000 0.895 289 E CA -0.804 55.468 56.400 -0.214 0.000 0.767 289 E CB 2.284 31.880 29.700 -0.174 0.000 1.248 289 E HN 0.371 nan 8.360 nan 0.000 0.440 290 K N 1.570 121.605 120.400 -0.608 0.000 2.501 290 K HA 0.518 4.781 4.320 -0.095 0.000 0.252 290 K C -1.695 174.532 176.600 -0.622 0.000 0.934 290 K CA -0.495 55.528 56.287 -0.440 0.000 0.797 290 K CB 1.146 33.534 32.500 -0.186 0.000 1.270 290 K HN 0.381 nan 8.250 nan 0.000 0.431 291 Y N 0.847 121.161 120.300 0.023 0.000 2.545 291 Y HA 0.312 4.809 4.550 -0.089 0.000 0.348 291 Y C -0.286 175.650 175.900 0.061 0.000 1.002 291 Y CA -1.134 56.994 58.100 0.046 0.000 1.039 291 Y CB 1.777 40.259 38.460 0.036 0.000 1.271 291 Y HN 0.615 nan 8.280 nan 0.000 0.467 292 N N 1.626 120.451 118.700 0.207 0.000 2.457 292 N HA 0.266 4.949 4.740 -0.095 0.000 0.250 292 N C -0.205 175.354 175.510 0.082 0.000 0.982 292 N CA -0.173 52.941 53.050 0.105 0.000 0.941 292 N CB 0.658 39.166 38.487 0.035 0.000 1.120 292 N HN 0.774 nan 8.380 nan 0.000 0.505 293 L N 2.015 123.295 121.223 0.095 0.000 2.291 293 L HA -0.063 4.220 4.340 -0.095 0.000 0.214 293 L C 1.691 178.554 176.870 -0.012 0.000 1.120 293 L CA 0.740 55.620 54.840 0.066 0.000 0.799 293 L CB -0.519 41.616 42.059 0.128 0.000 0.925 293 L HN 0.613 nan 8.230 nan 0.000 0.446 294 T N -0.290 114.213 114.554 -0.085 0.000 2.635 294 T HA -0.246 4.047 4.350 -0.095 0.000 0.267 294 T C 2.125 176.576 174.700 -0.415 0.000 1.040 294 T CA 2.022 63.888 62.100 -0.390 0.000 1.156 294 T CB -0.387 68.264 68.868 -0.361 0.000 0.863 294 T HN 0.567 nan 8.240 nan 0.000 0.430 295 S N 1.379 116.931 115.700 -0.247 0.000 2.368 295 S HA -0.081 4.332 4.470 -0.095 0.000 0.224 295 S C 2.213 176.720 174.600 -0.156 0.000 1.029 295 S CA 1.070 59.141 58.200 -0.216 0.000 0.988 295 S CB -0.988 62.084 63.200 -0.213 0.000 0.838 295 S HN 0.334 nan 8.310 nan 0.000 0.462 296 V N 2.773 122.617 119.914 -0.117 0.000 2.255 296 V HA -0.147 3.915 4.120 -0.095 0.000 0.247 296 V C 2.638 178.702 176.094 -0.051 0.000 1.051 296 V CA 1.966 64.218 62.300 -0.081 0.000 1.018 296 V CB -1.041 30.727 31.823 -0.092 0.000 0.641 296 V HN 0.468 nan 8.190 nan 0.000 0.445 297 L N -1.315 119.902 121.223 -0.011 0.000 2.093 297 L HA -0.195 4.088 4.340 -0.095 0.000 0.208 297 L C 2.535 179.454 176.870 0.080 0.000 1.085 297 L CA 1.727 56.619 54.840 0.086 0.000 0.755 297 L CB -0.522 41.683 42.059 0.243 0.000 0.904 297 L HN 0.325 nan 8.230 nan 0.000 0.435 298 M N -0.171 119.410 119.600 -0.030 0.000 2.117 298 M HA -0.204 4.219 4.480 -0.095 0.000 0.262 298 M C 2.430 178.725 176.300 -0.009 0.000 1.065 298 M CA 2.005 57.284 55.300 -0.035 0.000 1.114 298 M CB -0.146 32.333 32.600 -0.201 0.000 1.361 298 M HN 0.315 nan 8.290 nan 0.000 0.408 299 A N -0.055 122.747 122.820 -0.030 0.000 1.933 299 A HA -0.184 4.079 4.320 -0.095 0.000 0.218 299 A C 1.991 179.574 177.584 -0.002 0.000 1.175 299 A CA 1.628 53.659 52.037 -0.010 0.000 0.628 299 A CB -0.678 18.322 19.000 -0.000 0.000 0.814 299 A HN 0.574 nan 8.150 nan 0.000 0.444 300 M N -1.599 118.001 119.600 -0.001 0.000 2.549 300 M HA 0.047 4.469 4.480 -0.095 0.000 0.260 300 M C 1.498 177.809 176.300 0.018 0.000 1.076 300 M CA 1.149 56.450 55.300 0.000 0.000 1.090 300 M CB 0.017 32.616 32.600 -0.003 0.000 1.418 300 M HN 0.675 nan 8.290 nan 0.000 0.486 301 G N 0.558 109.378 108.800 0.035 0.000 2.260 301 G HA2 -0.145 3.757 3.960 -0.095 0.000 0.179 301 G HA3 -0.145 3.757 3.960 -0.095 0.000 0.179 301 G C 0.112 175.052 174.900 0.066 0.000 1.002 301 G CA -0.710 44.414 45.100 0.040 0.000 0.677 301 G HN 0.367 nan 8.290 nan 0.000 0.486 302 I N 3.228 123.859 120.570 0.102 0.000 2.281 302 I HA 0.335 4.447 4.170 -0.095 0.000 0.293 302 I C 1.637 177.902 176.117 0.247 0.000 1.085 302 I CA 0.662 62.047 61.300 0.141 0.000 1.257 302 I CB 1.157 39.249 38.000 0.154 0.000 1.430 302 I HN 0.290 nan 8.210 nan 0.000 0.489 303 T N -0.944 113.721 114.554 0.184 0.000 3.019 303 T HA 0.031 4.324 4.350 -0.095 0.000 0.247 303 T C 1.215 176.031 174.700 0.193 0.000 0.992 303 T CA -0.079 62.169 62.100 0.246 0.000 1.036 303 T CB 0.087 69.037 68.868 0.137 0.000 1.063 303 T HN 0.322 nan 8.240 nan 0.000 0.476 304 D N 2.604 123.053 120.400 0.081 0.000 2.182 304 D HA -0.104 4.479 4.640 -0.095 0.000 0.201 304 D C 2.355 178.632 176.300 -0.039 0.000 0.986 304 D CA 1.646 55.664 54.000 0.030 0.000 0.847 304 D CB -0.373 40.434 40.800 0.013 0.000 0.942 304 D HN 0.524 nan 8.370 nan 0.000 0.467 305 V N -1.669 118.148 119.914 -0.162 0.000 2.867 305 V HA -0.158 3.905 4.120 -0.095 0.000 0.260 305 V C 1.588 177.409 176.094 -0.455 0.000 1.099 305 V CA 1.249 63.334 62.300 -0.357 0.000 1.122 305 V CB -1.020 30.468 31.823 -0.558 0.000 0.708 305 V HN -0.048 nan 8.190 nan 0.000 0.490 306 F N 1.489 121.442 119.950 0.006 0.000 2.695 306 F HA 0.403 4.871 4.527 -0.099 0.000 0.303 306 F C 1.512 177.310 175.800 -0.003 0.000 1.091 306 F CA 0.213 58.212 58.000 -0.001 0.000 1.300 306 F CB -0.144 38.855 39.000 0.000 0.000 1.071 306 F HN 0.306 nan 8.300 nan 0.000 0.578 307 S N -1.655 114.117 115.700 0.120 0.000 2.730 307 S HA 0.257 4.670 4.470 -0.095 0.000 0.284 307 S C 1.399 176.022 174.600 0.038 0.000 1.153 307 S CA -0.016 58.231 58.200 0.079 0.000 0.995 307 S CB 1.432 64.670 63.200 0.064 0.000 1.058 307 S HN -0.007 nan 8.310 nan 0.000 0.552 308 S N 0.268 115.987 115.700 0.031 0.000 2.428 308 S HA -0.064 4.349 4.470 -0.095 0.000 0.230 308 S C 1.450 176.056 174.600 0.010 0.000 1.014 308 S CA 1.088 59.298 58.200 0.018 0.000 0.957 308 S CB -0.939 62.271 63.200 0.017 0.000 0.784 308 S HN 0.972 nan 8.310 nan 0.000 0.499 309 S N 0.844 116.551 115.700 0.012 0.000 2.602 309 S HA 0.676 5.088 4.470 -0.095 0.000 0.246 309 S C 0.172 174.770 174.600 -0.002 0.000 1.009 309 S CA -0.250 57.953 58.200 0.006 0.000 1.052 309 S CB 0.097 63.303 63.200 0.010 0.000 0.778 309 S HN 0.529 nan 8.310 nan 0.000 0.455 310 A N 1.712 124.525 122.820 -0.011 0.000 2.327 310 A HA 0.518 4.781 4.320 -0.095 0.000 0.283 310 A C 0.141 177.705 177.584 -0.033 0.000 1.127 310 A CA -0.772 51.247 52.037 -0.030 0.000 0.810 310 A CB 0.246 19.215 19.000 -0.051 0.000 1.066 310 A HN 0.689 nan 8.150 nan 0.000 0.492 311 N N 2.291 120.967 118.700 -0.040 0.000 2.564 311 N HA 0.482 5.165 4.740 -0.095 0.000 0.248 311 N C -0.938 174.537 175.510 -0.059 0.000 0.986 311 N CA -0.362 52.664 53.050 -0.041 0.000 0.921 311 N CB 0.392 38.860 38.487 -0.032 0.000 1.136 311 N HN 0.584 nan 8.380 nan 0.000 0.509 312 L N 3.203 124.386 121.223 -0.067 0.000 3.209 312 L HA 0.175 4.457 4.340 -0.095 0.000 0.279 312 L C 1.622 178.434 176.870 -0.098 0.000 1.301 312 L CA -0.173 54.610 54.840 -0.095 0.000 1.004 312 L CB 0.463 42.457 42.059 -0.109 0.000 1.402 312 L HN 0.527 nan 8.230 nan 0.000 0.577 313 S N -1.212 114.445 115.700 -0.072 0.000 2.469 313 S HA -0.106 4.306 4.470 -0.095 0.000 0.238 313 S C 1.900 176.455 174.600 -0.075 0.000 0.998 313 S CA 0.940 59.103 58.200 -0.061 0.000 0.957 313 S CB -0.307 62.867 63.200 -0.043 0.000 0.764 313 S HN 0.514 nan 8.310 nan 0.000 0.514 314 G N 0.965 109.708 108.800 -0.094 0.000 2.679 314 G HA2 0.174 4.077 3.960 -0.095 0.000 0.212 314 G HA3 0.174 4.077 3.960 -0.095 0.000 0.212 314 G C 1.184 175.981 174.900 -0.171 0.000 1.137 314 G CA 0.468 45.516 45.100 -0.087 0.000 0.787 314 G HN 0.610 nan 8.290 nan 0.000 0.534 315 I N -1.066 119.340 120.570 -0.274 0.000 3.616 315 I HA 0.194 4.307 4.170 -0.095 0.000 0.296 315 I C 0.638 176.649 176.117 -0.176 0.000 1.226 315 I CA 0.305 61.318 61.300 -0.478 0.000 1.394 315 I CB 0.753 38.401 38.000 -0.587 0.000 1.171 315 I HN 0.140 nan 8.210 nan 0.000 0.442 316 S N -0.843 114.806 115.700 -0.085 0.000 2.582 316 S HA 0.260 4.673 4.470 -0.095 0.000 0.287 316 S C 0.214 174.797 174.600 -0.030 0.000 1.146 316 S CA -0.506 57.684 58.200 -0.015 0.000 0.941 316 S CB 1.531 64.797 63.200 0.109 0.000 1.115 316 S HN 0.023 nan 8.310 nan 0.000 0.458 317 S N 3.059 118.734 115.700 -0.043 0.000 2.470 317 S HA 0.145 4.558 4.470 -0.095 0.000 0.225 317 S C 2.090 176.660 174.600 -0.051 0.000 1.006 317 S CA 0.722 58.897 58.200 -0.042 0.000 0.934 317 S CB -0.238 62.938 63.200 -0.039 0.000 0.778 317 S HN 0.872 nan 8.310 nan 0.000 0.517 318 A N 2.062 124.832 122.820 -0.084 0.000 1.836 318 A HA -0.093 4.170 4.320 -0.095 0.000 0.215 318 A C 0.929 178.472 177.584 -0.069 0.000 1.214 318 A CA 1.076 53.044 52.037 -0.115 0.000 0.636 318 A CB -0.372 18.481 19.000 -0.246 0.000 0.847 318 A HN 0.489 nan 8.150 nan 0.000 0.451 319 E N -0.842 119.336 120.200 -0.037 0.000 2.222 319 E HA 0.471 4.764 4.350 -0.095 0.000 0.267 319 E C -0.775 175.856 176.600 0.052 0.000 0.963 319 E CA -0.572 55.849 56.400 0.035 0.000 0.837 319 E CB 1.572 31.341 29.700 0.115 0.000 1.183 319 E HN 0.275 nan 8.360 nan 0.000 0.403 320 S N 1.482 117.202 115.700 0.034 0.000 2.528 320 S HA 0.347 4.760 4.470 -0.095 0.000 0.277 320 S C -0.592 174.021 174.600 0.021 0.000 1.297 320 S CA -0.327 57.884 58.200 0.017 0.000 1.052 320 S CB -0.004 63.200 63.200 0.007 0.000 0.917 320 S HN 0.307 nan 8.310 nan 0.000 0.492 321 L N 4.014 125.237 121.223 -0.001 0.000 2.327 321 L HA 0.751 5.034 4.340 -0.095 0.000 0.258 321 L C -0.580 176.263 176.870 -0.045 0.000 1.024 321 L CA -1.043 53.783 54.840 -0.023 0.000 0.825 321 L CB 2.239 44.277 42.059 -0.034 0.000 1.386 321 L HN 0.717 nan 8.230 nan 0.000 0.417 322 K N -0.157 120.209 120.400 -0.056 0.000 2.578 322 K HA 0.567 4.830 4.320 -0.095 0.000 0.287 322 K C -1.505 175.052 176.600 -0.071 0.000 1.010 322 K CA -0.900 55.347 56.287 -0.068 0.000 0.889 322 K CB 1.787 34.269 32.500 -0.030 0.000 1.514 322 K HN 0.389 nan 8.250 nan 0.000 0.424 323 I N 2.175 122.682 120.570 -0.105 0.000 2.396 323 I HA -0.000 4.113 4.170 -0.095 0.000 0.289 323 I C 1.105 177.288 176.117 0.110 0.000 1.056 323 I CA -0.127 61.145 61.300 -0.047 0.000 1.365 323 I CB 1.574 39.468 38.000 -0.178 0.000 1.407 323 I HN 0.871 nan 8.210 nan 0.000 0.509 324 S N 4.936 120.678 115.700 0.071 0.000 2.356 324 S HA -0.013 4.400 4.470 -0.095 0.000 0.219 324 S C 0.502 175.170 174.600 0.113 0.000 1.036 324 S CA 0.705 58.948 58.200 0.072 0.000 0.965 324 S CB 0.241 63.436 63.200 -0.007 0.000 0.864 324 S HN 0.768 nan 8.310 nan 0.000 0.471 325 Q N -0.208 119.656 119.800 0.107 0.000 2.482 325 Q HA 0.692 4.975 4.340 -0.095 0.000 0.286 325 Q C -1.926 174.158 176.000 0.139 0.000 1.007 325 Q CA -0.927 54.941 55.803 0.107 0.000 0.801 325 Q CB 1.341 30.109 28.738 0.050 0.000 1.455 325 Q HN 0.238 nan 8.270 nan 0.000 0.398 326 A N 1.421 124.328 122.820 0.144 0.000 2.427 326 A HA 0.738 5.000 4.320 -0.095 0.000 0.298 326 A C -1.373 176.296 177.584 0.140 0.000 1.036 326 A CA -0.483 51.650 52.037 0.159 0.000 0.701 326 A CB 1.884 21.017 19.000 0.223 0.000 1.250 326 A HN 0.446 nan 8.150 nan 0.000 0.412 327 V N 1.848 121.855 119.914 0.156 0.000 2.962 327 V HA 0.628 4.691 4.120 -0.095 0.000 0.313 327 V C -1.180 175.075 176.094 0.269 0.000 1.099 327 V CA -0.528 61.880 62.300 0.179 0.000 0.971 327 V CB 2.365 34.265 31.823 0.129 0.000 1.028 327 V HN 1.048 nan 8.190 nan 0.000 0.430 328 H N 2.157 121.327 119.070 0.167 0.000 3.018 328 H HA 0.793 5.288 4.556 -0.101 0.000 0.334 328 H C -0.580 174.874 175.328 0.210 0.000 0.983 328 H CA 0.133 56.302 56.048 0.202 0.000 1.363 328 H CB 1.436 31.340 29.762 0.236 0.000 1.668 328 H HN 0.937 nan 8.280 nan 0.000 0.513 329 A N 3.609 126.338 122.820 -0.152 0.000 2.337 329 A HA 0.938 5.201 4.320 -0.095 0.000 0.329 329 A C -1.014 176.440 177.584 -0.218 0.000 1.146 329 A CA -0.084 51.854 52.037 -0.165 0.000 0.800 329 A CB 0.936 19.921 19.000 -0.026 0.000 1.220 329 A HN 0.997 nan 8.150 nan 0.000 0.472 330 A N 1.164 123.948 122.820 -0.060 0.000 2.547 330 A HA 0.686 4.949 4.320 -0.095 0.000 0.297 330 A C -1.189 176.580 177.584 0.309 0.000 1.056 330 A CA -0.366 51.770 52.037 0.165 0.000 0.688 330 A CB 0.962 20.085 19.000 0.206 0.000 1.282 330 A HN 1.415 nan 8.150 nan 0.000 0.400 331 H N 0.773 119.952 119.070 0.182 0.000 2.667 331 H HA 0.774 5.273 4.556 -0.095 0.000 0.353 331 H C -0.596 174.683 175.328 -0.082 0.000 1.072 331 H CA 0.192 56.257 56.048 0.028 0.000 1.214 331 H CB 1.641 31.397 29.762 -0.009 0.000 1.600 331 H HN 1.124 nan 8.280 nan 0.000 0.527 332 A N 4.295 126.770 122.820 -0.576 0.000 2.414 332 A HA 0.556 4.818 4.320 -0.095 0.000 0.306 332 A C -1.158 176.129 177.584 -0.494 0.000 1.054 332 A CA -0.783 50.916 52.037 -0.564 0.000 0.724 332 A CB 1.668 19.967 19.000 -1.168 0.000 1.267 332 A HN 0.814 nan 8.150 nan 0.000 0.418 333 E N 1.165 121.217 120.200 -0.246 0.000 2.246 333 E HA 0.540 4.833 4.350 -0.095 0.000 0.266 333 E C -1.544 174.993 176.600 -0.105 0.000 0.880 333 E CA -0.315 55.986 56.400 -0.165 0.000 0.762 333 E CB 2.319 31.987 29.700 -0.054 0.000 1.180 333 E HN 0.565 nan 8.360 nan 0.000 0.416 334 I N 3.824 124.340 120.570 -0.090 0.000 2.439 334 I HA 0.254 4.367 4.170 -0.095 0.000 0.283 334 I C -0.441 175.692 176.117 0.026 0.000 1.023 334 I CA -0.614 60.681 61.300 -0.008 0.000 1.100 334 I CB 0.895 38.888 38.000 -0.012 0.000 1.238 334 I HN 0.531 nan 8.210 nan 0.000 0.445 335 N N 3.382 122.134 118.700 0.087 0.000 3.294 335 N HA 0.352 5.035 4.740 -0.095 0.000 0.355 335 N C 0.421 176.074 175.510 0.238 0.000 1.497 335 N CA -0.703 52.398 53.050 0.085 0.000 0.707 335 N CB 0.514 39.028 38.487 0.044 0.000 1.732 335 N HN 0.200 nan 8.380 nan 0.000 0.640 336 E N -0.432 119.874 120.200 0.177 0.000 2.077 336 E HA -0.015 4.278 4.350 -0.095 0.000 0.193 336 E C 1.618 178.524 176.600 0.511 0.000 0.989 336 E CA 2.058 58.650 56.400 0.319 0.000 0.800 336 E CB -0.491 29.333 29.700 0.207 0.000 0.746 336 E HN 0.620 nan 8.360 nan 0.000 0.452 337 A N -0.345 122.662 122.820 0.312 0.000 2.067 337 A HA 0.402 4.665 4.320 -0.095 0.000 0.217 337 A C 1.261 178.913 177.584 0.113 0.000 1.156 337 A CA 1.319 53.502 52.037 0.243 0.000 0.683 337 A CB -0.034 19.030 19.000 0.107 0.000 0.808 337 A HN 0.329 nan 8.150 nan 0.000 0.455 338 G N -2.221 106.496 108.800 -0.139 0.000 2.441 338 G HA2 0.423 4.325 3.960 -0.095 0.000 0.222 338 G HA3 0.423 4.325 3.960 -0.095 0.000 0.222 338 G C -0.381 174.183 174.900 -0.560 0.000 1.254 338 G CA 0.375 44.887 45.100 -0.979 0.000 0.959 338 G HN 1.095 nan 8.290 nan 0.000 0.474 339 T N -1.071 113.245 114.554 -0.396 0.000 2.909 339 T HA 0.746 5.039 4.350 -0.095 0.000 0.299 339 T C -1.342 173.273 174.700 -0.141 0.000 1.073 339 T CA -0.261 61.752 62.100 -0.144 0.000 0.999 339 T CB 2.421 71.316 68.868 0.046 0.000 1.098 339 T HN 0.559 nan 8.240 nan 0.000 0.477 340 E N 1.722 121.874 120.200 -0.080 0.000 2.234 340 E HA 0.651 4.944 4.350 -0.095 0.000 0.266 340 E C -1.314 175.288 176.600 0.005 0.000 0.877 340 E CA -0.990 55.368 56.400 -0.069 0.000 0.758 340 E CB 2.441 32.111 29.700 -0.049 0.000 1.170 340 E HN 0.538 nan 8.360 nan 0.000 0.415 341 V N 2.875 122.829 119.914 0.066 0.000 2.760 341 V HA 0.463 4.526 4.120 -0.095 0.000 0.309 341 V C -0.557 175.617 176.094 0.132 0.000 1.077 341 V CA -0.902 61.429 62.300 0.052 0.000 0.910 341 V CB 1.885 33.544 31.823 -0.273 0.000 1.008 341 V HN 0.522 nan 8.190 nan 0.000 0.424 342 V N 1.057 121.063 119.914 0.153 0.000 2.876 342 V HA 1.142 5.205 4.120 -0.095 0.000 0.312 342 V C -0.031 176.170 176.094 0.180 0.000 1.085 342 V CA -0.030 62.342 62.300 0.120 0.000 0.945 342 V CB 1.563 33.401 31.823 0.025 0.000 1.017 342 V HN 1.246 nan 8.190 nan 0.000 0.428 343 G N 0.805 109.707 108.800 0.169 0.000 2.600 343 G HA2 0.723 4.626 3.960 -0.095 0.000 0.293 343 G HA3 0.723 4.626 3.960 -0.095 0.000 0.293 343 G C -1.297 173.721 174.900 0.196 0.000 1.408 343 G CA -0.131 45.095 45.100 0.210 0.000 0.782 343 G HN 1.515 nan 8.290 nan 0.000 0.482 344 S N -1.564 114.290 115.700 0.257 0.000 2.563 344 S HA 0.720 5.133 4.470 -0.095 0.000 0.279 344 S C -0.770 174.075 174.600 0.409 0.000 1.155 344 S CA 0.318 58.679 58.200 0.269 0.000 0.928 344 S CB 1.027 64.336 63.200 0.181 0.000 1.107 344 S HN 1.989 nan 8.310 nan 0.000 0.462 345 A N 3.216 126.237 122.820 0.335 0.000 2.350 345 A HA 0.914 5.177 4.320 -0.095 0.000 0.324 345 A C -0.579 177.134 177.584 0.215 0.000 1.118 345 A CA -0.448 51.761 52.037 0.286 0.000 0.783 345 A CB 1.541 20.622 19.000 0.135 0.000 1.236 345 A HN 0.704 nan 8.150 nan 0.000 0.457 346 E N 0.658 120.973 120.200 0.191 0.000 2.390 346 E HA 0.721 5.014 4.350 -0.095 0.000 0.277 346 E C -1.746 174.934 176.600 0.133 0.000 0.939 346 E CA -0.431 56.065 56.400 0.161 0.000 0.769 346 E CB 2.297 32.093 29.700 0.161 0.000 1.251 346 E HN 1.284 nan 8.360 nan 0.000 0.450 347 A N 1.601 124.487 122.820 0.111 0.000 2.488 347 A HA 0.707 4.969 4.320 -0.095 0.000 0.295 347 A C -0.540 177.079 177.584 0.057 0.000 1.045 347 A CA -0.126 51.965 52.037 0.091 0.000 0.703 347 A CB 1.528 20.578 19.000 0.082 0.000 1.271 347 A HN 0.495 nan 8.150 nan 0.000 0.400 348 G N 0.258 109.078 108.800 0.032 0.000 2.356 348 G HA2 0.562 4.465 3.960 -0.095 0.000 0.322 348 G HA3 0.562 4.465 3.960 -0.095 0.000 0.322 348 G C -0.873 173.994 174.900 -0.056 0.000 1.125 348 G CA -0.439 44.641 45.100 -0.032 0.000 0.885 348 G HN 1.028 nan 8.290 nan 0.000 0.467 349 V N 2.966 122.815 119.914 -0.108 0.000 2.334 349 V HA 0.329 4.392 4.120 -0.095 0.000 0.281 349 V C -0.795 175.192 176.094 -0.178 0.000 1.016 349 V CA -0.778 61.450 62.300 -0.121 0.000 0.832 349 V CB 1.197 32.948 31.823 -0.120 0.000 0.999 349 V HN 0.666 nan 8.190 nan 0.000 0.439 350 D N 2.715 123.035 120.400 -0.134 0.000 2.340 350 D HA 0.673 5.256 4.640 -0.095 0.000 0.243 350 D C 0.234 176.479 176.300 -0.091 0.000 0.988 350 D CA -0.292 53.624 54.000 -0.139 0.000 0.959 350 D CB 1.778 42.516 40.800 -0.104 0.000 1.226 350 D HN 0.708 nan 8.370 nan 0.000 0.509 351 A N 0.720 123.497 122.820 -0.071 0.000 2.505 351 A HA 0.510 4.772 4.320 -0.095 0.000 0.271 351 A C 0.291 177.870 177.584 -0.008 0.000 1.112 351 A CA -0.017 52.012 52.037 -0.013 0.000 0.781 351 A CB -0.521 18.490 19.000 0.018 0.000 1.059 351 A HN 0.534 nan 8.150 nan 0.000 0.508 357 E N -0.049 120.241 120.200 0.151 0.000 2.288 357 E HA 0.424 4.716 4.350 -0.095 0.000 0.268 357 E C -1.784 174.966 176.600 0.250 0.000 0.885 357 E CA -0.738 55.792 56.400 0.216 0.000 0.767 357 E CB 1.662 31.468 29.700 0.178 0.000 1.220 357 E HN 0.039 nan 8.360 nan 0.000 0.427 358 F N 4.873 124.908 119.950 0.140 0.000 2.949 358 F HA 0.338 4.805 4.527 -0.100 0.000 0.376 358 F C -1.144 174.742 175.800 0.143 0.000 1.205 358 F CA -0.569 57.473 58.000 0.071 0.000 1.155 358 F CB 0.580 39.573 39.000 -0.012 0.000 1.495 358 F HN 0.380 nan 8.300 nan 0.000 0.551 359 R N 3.580 124.019 120.500 -0.102 0.000 2.343 359 R HA 0.839 5.121 4.340 -0.095 0.000 0.320 359 R C -1.191 174.930 176.300 -0.298 0.000 0.956 359 R CA -0.822 55.249 56.100 -0.048 0.000 0.836 359 R CB 1.698 31.857 30.300 -0.236 0.000 1.151 359 R HN 0.459 nan 8.270 nan 0.000 0.450 360 A N 3.510 126.171 122.820 -0.266 0.000 2.880 360 A HA 0.195 4.458 4.320 -0.095 0.000 0.328 360 A C -0.403 177.094 177.584 -0.144 0.000 1.440 360 A CA -0.764 51.036 52.037 -0.395 0.000 1.068 360 A CB -0.173 18.451 19.000 -0.628 0.000 1.163 360 A HN 0.909 nan 8.150 nan 0.000 0.510 361 D N -0.190 120.091 120.400 -0.198 0.000 2.398 361 D HA 0.058 4.641 4.640 -0.095 0.000 0.210 361 D C 0.420 176.153 176.300 -0.945 0.000 1.094 361 D CA 0.240 54.038 54.000 -0.337 0.000 0.839 361 D CB -0.010 40.685 40.800 -0.175 0.000 0.963 361 D HN 0.584 nan 8.370 nan 0.000 0.506 362 H N -2.229 116.381 119.070 -0.768 0.000 2.821 362 H HA 0.534 5.035 4.556 -0.091 0.000 0.373 362 H C -3.101 172.184 175.328 -0.071 0.000 1.165 362 H CA -2.839 52.820 56.048 -0.647 0.000 1.154 362 H CB 0.197 29.783 29.762 -0.294 0.000 1.765 362 H HN -0.344 nan 8.280 nan 0.000 0.549 363 P HA -0.086 nan 4.420 nan 0.000 0.261 363 P C -0.834 176.580 177.300 0.190 0.000 1.158 363 P CA 1.022 64.272 63.100 0.249 0.000 0.758 363 P CB -0.144 31.679 31.700 0.205 0.000 0.763 364 F N 1.253 121.294 119.950 0.151 0.000 2.643 364 F HA 0.662 5.124 4.527 -0.108 0.000 0.314 364 F C -1.530 174.381 175.800 0.185 0.000 1.096 364 F CA -1.552 56.515 58.000 0.112 0.000 0.953 364 F CB 0.894 39.922 39.000 0.047 0.000 1.345 364 F HN -0.060 nan 8.300 nan 0.000 0.468 365 L N 2.355 123.772 121.223 0.324 0.000 2.344 365 L HA 0.722 5.005 4.340 -0.095 0.000 0.272 365 L C -0.865 176.224 176.870 0.364 0.000 1.035 365 L CA -0.925 54.001 54.840 0.143 0.000 0.807 365 L CB 1.724 43.819 42.059 0.061 0.000 1.237 365 L HN 0.821 nan 8.230 nan 0.000 0.442 366 F N 0.589 120.483 119.950 -0.094 0.000 2.668 366 F HA 0.755 5.257 4.527 -0.042 0.000 0.309 366 F C -0.841 174.914 175.800 -0.077 0.000 1.117 366 F CA -1.569 56.466 58.000 0.059 0.000 0.951 366 F CB 1.143 40.290 39.000 0.246 0.000 1.323 366 F HN 0.633 nan 8.300 nan 0.000 0.451 367 C N 1.740 121.158 119.300 0.197 0.000 3.171 367 C HA 0.840 5.243 4.460 -0.095 0.000 0.336 367 C C -1.297 173.890 174.990 0.328 0.000 1.198 367 C CA -0.996 58.111 59.018 0.150 0.000 1.319 367 C CB 0.882 28.767 27.740 0.241 0.000 1.682 367 C HN 1.033 nan 8.230 nan 0.000 0.497 368 I N 3.307 124.071 120.570 0.324 0.000 2.377 368 I HA 0.552 4.664 4.170 -0.095 0.000 0.293 368 I C 0.086 176.274 176.117 0.118 0.000 0.987 368 I CA -0.118 61.382 61.300 0.333 0.000 1.185 368 I CB 1.519 39.793 38.000 0.457 0.000 1.341 368 I HN 0.913 nan 8.210 nan 0.000 0.455 369 K N 4.953 125.423 120.400 0.118 0.000 2.443 369 K HA 0.456 4.719 4.320 -0.095 0.000 0.251 369 K C -0.941 175.683 176.600 0.040 0.000 0.972 369 K CA -0.904 55.409 56.287 0.045 0.000 0.833 369 K CB 2.042 34.596 32.500 0.089 0.000 1.317 369 K HN 0.493 nan 8.250 nan 0.000 0.441 370 H N 3.178 122.193 119.070 -0.091 0.000 2.723 370 H HA 0.188 4.680 4.556 -0.107 0.000 0.294 370 H C 0.735 176.047 175.328 -0.026 0.000 1.079 370 H CA -0.262 55.728 56.048 -0.097 0.000 1.411 370 H CB 0.720 30.394 29.762 -0.147 0.000 1.439 370 H HN 0.705 nan 8.280 nan 0.000 0.474 371 I N 3.978 124.370 120.570 -0.297 0.000 2.118 371 I HA -0.327 3.786 4.170 -0.095 0.000 0.241 371 I C 2.474 178.504 176.117 -0.146 0.000 1.070 371 I CA 1.628 62.825 61.300 -0.171 0.000 1.327 371 I CB -0.353 37.565 38.000 -0.137 0.000 1.034 371 I HN 0.623 nan 8.210 nan 0.000 0.405 372 A N 0.264 122.925 122.820 -0.266 0.000 2.014 372 A HA -0.140 4.122 4.320 -0.095 0.000 0.218 372 A C 2.242 179.863 177.584 0.061 0.000 1.163 372 A CA 2.013 54.009 52.037 -0.068 0.000 0.652 372 A CB -0.744 18.231 19.000 -0.042 0.000 0.808 372 A HN 0.559 nan 8.150 nan 0.000 0.449 373 T N -5.556 109.104 114.554 0.176 0.000 3.001 373 T HA 0.137 4.430 4.350 -0.095 0.000 0.251 373 T C 0.728 175.496 174.700 0.114 0.000 1.040 373 T CA 0.447 62.644 62.100 0.162 0.000 0.985 373 T CB -0.102 68.874 68.868 0.180 0.000 1.011 373 T HN 0.369 nan 8.240 nan 0.000 0.509 374 N N 1.282 120.049 118.700 0.112 0.000 2.741 374 N HA -0.139 4.544 4.740 -0.095 0.000 0.251 374 N C 0.068 175.622 175.510 0.073 0.000 1.112 374 N CA 0.751 53.869 53.050 0.113 0.000 0.750 374 N CB -1.395 37.192 38.487 0.168 0.000 1.119 374 N HN 0.850 nan 8.380 nan 0.000 0.561 375 A N 0.446 123.293 122.820 0.044 0.000 2.409 375 A HA 0.448 4.710 4.320 -0.095 0.000 0.262 375 A C 0.541 178.081 177.584 -0.074 0.000 1.113 375 A CA -0.133 51.876 52.037 -0.047 0.000 0.790 375 A CB 1.180 20.118 19.000 -0.103 0.000 1.046 375 A HN 0.176 nan 8.150 nan 0.000 0.496 376 V N 5.018 124.860 119.914 -0.120 0.000 2.385 376 V HA 0.290 4.353 4.120 -0.095 0.000 0.269 376 V C 0.459 176.404 176.094 -0.247 0.000 1.043 376 V CA -0.228 61.983 62.300 -0.149 0.000 0.906 376 V CB 0.560 32.278 31.823 -0.175 0.000 0.995 376 V HN 0.857 nan 8.190 nan 0.000 0.467 377 L N 7.230 128.236 121.223 -0.362 0.000 2.221 377 L HA 0.438 4.720 4.340 -0.095 0.000 0.202 377 L C -0.005 176.338 176.870 -0.879 0.000 1.074 377 L CA 1.295 55.710 54.840 -0.708 0.000 0.795 377 L CB -0.244 41.192 42.059 -1.037 0.000 0.960 377 L HN 0.554 nan 8.230 nan 0.000 0.458 378 F N -2.123 117.752 119.950 -0.125 0.000 2.576 378 F HA 0.534 5.000 4.527 -0.103 0.000 0.313 378 F C -0.599 175.056 175.800 -0.243 0.000 1.078 378 F CA -1.319 56.559 58.000 -0.204 0.000 0.921 378 F CB 1.729 40.737 39.000 0.013 0.000 1.232 378 F HN -0.340 nan 8.300 nan 0.000 0.459 379 F N 0.630 120.255 119.950 -0.542 0.000 2.578 379 F HA 0.852 5.191 4.527 -0.314 0.000 0.311 379 F C -0.489 174.846 175.800 -0.774 0.000 1.094 379 F CA -0.669 56.916 58.000 -0.692 0.000 0.923 379 F CB 2.224 40.725 39.000 -0.833 0.000 1.230 379 F HN 0.623 nan 8.300 nan 0.000 0.450 380 G N 4.004 111.850 108.800 -1.590 0.000 2.646 380 G HA2 0.507 4.410 3.960 -0.095 0.000 0.291 380 G HA3 0.507 4.410 3.960 -0.095 0.000 0.291 380 G C -2.358 172.037 174.900 -0.842 0.000 1.445 380 G CA -1.068 43.444 45.100 -0.981 0.000 0.814 380 G HN 0.743 nan 8.290 nan 0.000 0.495 381 R N -0.135 120.248 120.500 -0.195 0.000 2.439 381 R HA 0.531 4.813 4.340 -0.095 0.000 0.310 381 R C -1.369 174.937 176.300 0.010 0.000 0.955 381 R CA -0.530 55.550 56.100 -0.033 0.000 0.853 381 R CB 1.424 31.841 30.300 0.196 0.000 1.171 381 R HN 0.568 nan 8.270 nan 0.000 0.449 382 C N 6.854 126.034 119.300 -0.200 0.000 2.225 382 C HA 0.335 4.738 4.460 -0.095 0.000 0.323 382 C C 1.422 176.232 174.990 -0.300 0.000 1.164 382 C CA -0.523 58.279 59.018 -0.361 0.000 1.565 382 C CB -0.348 26.891 27.740 -0.835 0.000 2.124 382 C HN 0.756 nan 8.230 nan 0.000 0.461 383 V N 2.791 122.637 119.914 -0.112 0.000 3.431 383 V HA 0.357 4.420 4.120 -0.095 0.000 0.253 383 V C 0.775 176.824 176.094 -0.075 0.000 1.184 383 V CA 0.770 63.081 62.300 0.019 0.000 1.104 383 V CB 0.066 31.933 31.823 0.073 0.000 0.799 383 V HN 0.730 nan 8.190 nan 0.000 0.462 384 S N 1.675 117.242 115.700 -0.221 0.000 2.620 384 S HA 0.622 5.035 4.470 -0.095 0.000 0.244 384 S C -2.505 171.880 174.600 -0.358 0.000 1.192 384 S CA -0.911 57.108 58.200 -0.302 0.000 1.148 384 S CB 0.970 64.093 63.200 -0.128 0.000 1.106 384 S HN 0.287 nan 8.310 nan 0.000 0.474 385 P HA 0.000 nan 4.420 nan 0.000 0.216 385 P CA 0.000 62.874 63.100 -0.377 0.000 0.800 385 P CB 0.000 31.437 31.700 -0.438 0.000 0.726