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 3bsg_1_A DATA FIRST_RESID 1 DATA SEQUENCE HQVLFQGFNW ESWKQSGGWY NMMMGKVDDI AAAGVTHVWL PPPSHSVSNE DATA SEQUENCE GYMPGRLYDI DASKYGNAAE LKSLIGALHG KGVQAIADIV INHRCADYKD DATA SEQUENCE SRGIYCIFEG GTSDGRLDWG PHMICRDDTK YSDGTANLDT GADFAAAPDI DATA SEQUENCE DHLNDRVQRE LKEWLLWLKS DLGFDAWRLD FARGYSPEMA KVYIDGTSPS DATA SEQUENCE LAVAEVWDNM ATGGDGKPNY DQDAHRQNLV NWVDKVGGAA SAGMVFDFTT DATA SEQUENCE KGILNAAVEG ELWRLIDPQG KAPGVMGWWP AKAVTFVDNH DTGSTQAMWP DATA SEQUENCE FPSDKVMQGY AYILTHPGIP CIFYDHFFNW GFKDQIAALV AIRKRNGITA DATA SEQUENCE TSALKILMHE GDAYVAEIDG KVVVKIGSRY DVGAVIPAGF VTSAAGNDYA DATA SEQUENCE VWEK 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.373 175.328 0.076 0.000 0.993 1 H CA 0.000 56.079 56.048 0.052 0.000 1.023 1 H CB 0.000 29.788 29.762 0.043 0.000 1.292 2 Q N 3.938 123.483 119.800 -0.426 0.000 2.263 2 Q HA 0.611 4.952 4.340 0.001 0.000 0.262 2 Q C -1.618 174.206 176.000 -0.293 0.000 0.984 2 Q CA -0.971 54.682 55.803 -0.250 0.000 0.813 2 Q CB 3.223 31.898 28.738 -0.104 0.000 1.299 2 Q HN 0.383 nan 8.270 nan 0.000 0.428 3 V N 3.522 123.340 119.914 -0.161 0.000 2.612 3 V HA 0.396 4.517 4.120 0.001 0.000 0.301 3 V C -0.995 175.168 176.094 0.115 0.000 1.059 3 V CA -0.667 61.610 62.300 -0.037 0.000 0.886 3 V CB 1.692 33.493 31.823 -0.036 0.000 1.007 3 V HN 0.594 nan 8.190 nan 0.000 0.426 4 L N 4.049 125.356 121.223 0.141 0.000 2.387 4 L HA 0.677 5.018 4.340 0.001 0.000 0.266 4 L C -0.699 176.361 176.870 0.315 0.000 1.059 4 L CA -0.210 54.774 54.840 0.241 0.000 0.801 4 L CB 1.328 43.512 42.059 0.210 0.000 1.223 4 L HN 0.623 nan 8.230 nan 0.000 0.456 5 F N 0.934 121.007 119.950 0.205 0.000 2.607 5 F HA 0.337 4.865 4.527 0.001 0.000 0.322 5 F C -0.344 175.612 175.800 0.260 0.000 1.176 5 F CA -0.620 57.476 58.000 0.161 0.000 0.977 5 F CB 1.293 40.325 39.000 0.053 0.000 1.242 5 F HN 0.509 nan 8.300 nan 0.000 0.465 6 Q N 4.202 123.963 119.800 -0.065 0.000 2.307 6 Q HA 0.379 4.720 4.340 0.001 0.000 0.261 6 Q C 0.505 176.442 176.000 -0.105 0.000 1.051 6 Q CA 0.087 55.818 55.803 -0.121 0.000 0.911 6 Q CB 1.199 29.689 28.738 -0.413 0.000 1.227 6 Q HN 0.954 nan 8.270 nan 0.000 0.418 7 G N 4.922 113.903 108.800 0.301 0.000 3.562 7 G HA2 0.349 4.309 3.960 0.001 0.000 0.279 7 G HA3 0.349 4.309 3.960 0.001 0.000 0.279 7 G C -0.709 174.562 174.900 0.617 0.000 1.314 7 G CA -0.112 45.383 45.100 0.658 0.000 1.189 7 G HN 0.639 nan 8.290 nan 0.000 0.562 8 F N -1.586 118.327 119.950 -0.061 0.000 2.807 8 F HA 0.608 5.135 4.527 0.001 0.000 0.316 8 F C -1.355 174.217 175.800 -0.379 0.000 1.162 8 F CA -1.907 55.796 58.000 -0.496 0.000 0.910 8 F CB 0.690 39.253 39.000 -0.728 0.000 1.314 8 F HN 0.065 nan 8.300 nan 0.000 0.454 9 N N -0.868 117.668 118.700 -0.273 0.000 2.831 9 N HA 0.202 4.943 4.740 0.001 0.000 0.276 9 N C -0.304 175.402 175.510 0.327 0.000 1.416 9 N CA -0.967 52.130 53.050 0.079 0.000 0.799 9 N CB 0.777 39.336 38.487 0.121 0.000 1.554 9 N HN 0.980 nan 8.380 nan 0.000 0.541 10 W N 0.049 121.507 121.300 0.262 0.000 2.387 10 W HA -0.078 4.583 4.660 0.001 0.000 0.272 10 W C 0.026 176.705 176.519 0.266 0.000 1.224 10 W CA 1.149 58.688 57.345 0.323 0.000 1.210 10 W CB 0.341 29.980 29.460 0.299 0.000 1.125 10 W HN 0.571 nan 8.180 nan 0.000 0.572 11 E N -0.564 119.734 120.200 0.164 0.000 2.472 11 E HA -0.030 4.321 4.350 0.001 0.000 0.196 11 E C 1.941 178.352 176.600 -0.315 0.000 1.033 11 E CA 0.324 56.667 56.400 -0.096 0.000 0.886 11 E CB -0.045 29.644 29.700 -0.019 0.000 0.944 11 E HN 0.100 nan 8.360 nan 0.000 0.492 12 S N 1.587 117.078 115.700 -0.348 0.000 2.402 12 S HA -0.151 4.319 4.470 0.001 0.000 0.233 12 S C 1.565 176.040 174.600 -0.208 0.000 1.030 12 S CA 1.227 59.047 58.200 -0.634 0.000 1.003 12 S CB -0.489 61.738 63.200 -1.622 0.000 0.813 12 S HN 0.603 nan 8.310 nan 0.000 0.477 13 W N 1.988 123.151 121.300 -0.228 0.000 2.538 13 W HA 0.046 4.707 4.660 0.001 0.000 0.254 13 W C 0.713 177.095 176.519 -0.228 0.000 1.249 13 W CA 0.545 57.641 57.345 -0.415 0.000 1.253 13 W CB -0.518 28.495 29.460 -0.745 0.000 1.130 13 W HN 0.268 nan 8.180 nan 0.000 0.618 14 K N 0.708 120.577 120.400 -0.885 0.000 2.393 14 K HA -0.036 4.285 4.320 0.001 0.000 0.193 14 K C 0.733 177.144 176.600 -0.316 0.000 1.026 14 K CA -0.110 55.675 56.287 -0.838 0.000 1.064 14 K CB -0.048 31.845 32.500 -1.011 0.000 0.833 14 K HN -0.118 nan 8.250 nan 0.000 0.521 15 Q N 2.021 121.750 119.800 -0.119 0.000 2.263 15 Q HA -0.030 4.311 4.340 0.001 0.000 0.289 15 Q C -0.274 175.725 176.000 -0.003 0.000 1.061 15 Q CA 0.242 56.067 55.803 0.037 0.000 0.927 15 Q CB 0.682 29.595 28.738 0.291 0.000 1.154 15 Q HN 0.057 nan 8.270 nan 0.000 0.378 16 S N 3.296 118.984 115.700 -0.021 0.000 2.562 16 S HA 0.425 4.896 4.470 0.001 0.000 0.281 16 S C 1.091 175.685 174.600 -0.011 0.000 1.333 16 S CA 0.633 58.819 58.200 -0.023 0.000 1.052 16 S CB 0.049 63.234 63.200 -0.025 0.000 0.884 16 S HN 1.259 nan 8.310 nan 0.000 0.506 17 G N 2.633 111.428 108.800 -0.008 0.000 2.234 17 G HA2 0.062 4.023 3.960 0.001 0.000 0.260 17 G HA3 0.062 4.023 3.960 0.001 0.000 0.260 17 G C 1.096 175.996 174.900 0.000 0.000 0.987 17 G CA 0.250 45.346 45.100 -0.007 0.000 0.625 17 G HN 2.303 nan 8.290 nan 0.000 0.532 18 G N -2.071 106.736 108.800 0.010 0.000 2.906 18 G HA2 0.066 4.027 3.960 0.001 0.000 0.686 18 G HA3 0.066 4.027 3.960 0.001 0.000 0.686 18 G C 0.433 175.357 174.900 0.041 0.000 1.170 18 G CA 0.453 45.566 45.100 0.021 0.000 0.775 18 G HN 1.161 nan 8.290 nan 0.000 0.630 19 W N 2.509 123.737 121.300 -0.120 0.000 2.355 19 W HA -0.170 4.490 4.660 0.001 0.000 0.309 19 W C 1.850 178.362 176.519 -0.011 0.000 1.206 19 W CA 2.277 59.570 57.345 -0.087 0.000 1.284 19 W CB -0.150 29.282 29.460 -0.047 0.000 1.145 19 W HN 0.699 nan 8.180 nan 0.000 0.502 20 Y N 1.249 121.575 120.300 0.043 0.000 2.224 20 Y HA -0.237 4.314 4.550 0.002 0.000 0.289 20 Y C 2.416 178.214 175.900 -0.170 0.000 1.146 20 Y CA 1.403 59.446 58.100 -0.097 0.000 1.182 20 Y CB -1.672 36.800 38.460 0.020 0.000 0.983 20 Y HN 0.030 nan 8.280 nan 0.000 0.524 21 N N -0.437 118.277 118.700 0.025 0.000 2.120 21 N HA -0.174 4.566 4.740 0.001 0.000 0.188 21 N C 2.009 177.443 175.510 -0.128 0.000 1.024 21 N CA 1.134 54.163 53.050 -0.035 0.000 0.852 21 N CB -0.462 38.014 38.487 -0.017 0.000 1.003 21 N HN 0.310 nan 8.380 nan 0.000 0.424 22 M N 0.380 119.850 119.600 -0.216 0.000 2.067 22 M HA -0.082 4.399 4.480 0.001 0.000 0.260 22 M C 1.561 177.633 176.300 -0.380 0.000 1.069 22 M CA 1.258 56.373 55.300 -0.308 0.000 1.117 22 M CB -0.248 32.098 32.600 -0.422 0.000 1.334 22 M HN 0.030 nan 8.290 nan 0.000 0.407 23 M N 0.036 119.329 119.600 -0.513 0.000 2.267 23 M HA -0.227 4.253 4.480 0.001 0.000 0.263 23 M C 1.961 178.131 176.300 -0.217 0.000 1.063 23 M CA 1.238 56.298 55.300 -0.400 0.000 1.090 23 M CB -1.167 31.217 32.600 -0.360 0.000 1.392 23 M HN 0.324 nan 8.290 nan 0.000 0.422 24 M N -0.600 118.899 119.600 -0.169 0.000 2.195 24 M HA -0.123 4.358 4.480 0.001 0.000 0.260 24 M C 2.128 178.360 176.300 -0.113 0.000 1.066 24 M CA 1.605 56.834 55.300 -0.118 0.000 1.089 24 M CB -1.929 30.616 32.600 -0.091 0.000 1.377 24 M HN 0.352 nan 8.290 nan 0.000 0.411 25 G N -0.692 108.025 108.800 -0.138 0.000 2.813 25 G HA2 -0.104 3.857 3.960 0.001 0.000 0.209 25 G HA3 -0.104 3.857 3.960 0.001 0.000 0.209 25 G C 1.616 176.438 174.900 -0.130 0.000 1.150 25 G CA 0.256 45.284 45.100 -0.119 0.000 0.785 25 G HN 0.299 nan 8.290 nan 0.000 0.535 26 K N 0.271 120.568 120.400 -0.172 0.000 2.354 26 K HA 0.223 4.544 4.320 0.001 0.000 0.194 26 K C 2.284 178.868 176.600 -0.028 0.000 1.038 26 K CA -0.040 56.147 56.287 -0.166 0.000 1.052 26 K CB 0.138 32.411 32.500 -0.378 0.000 0.861 26 K HN 0.208 nan 8.250 nan 0.000 0.535 27 V N 2.369 122.246 119.914 -0.063 0.000 2.282 27 V HA -0.289 3.832 4.120 0.001 0.000 0.249 27 V C 1.598 177.671 176.094 -0.035 0.000 1.057 27 V CA 2.176 64.439 62.300 -0.061 0.000 1.032 27 V CB -0.380 31.401 31.823 -0.070 0.000 0.645 27 V HN 0.236 nan 8.190 nan 0.000 0.447 28 D N -0.198 120.197 120.400 -0.010 0.000 2.097 28 D HA -0.149 4.491 4.640 0.001 0.000 0.195 28 D C 1.967 178.291 176.300 0.041 0.000 0.989 28 D CA 1.388 55.392 54.000 0.007 0.000 0.827 28 D CB -0.467 40.338 40.800 0.008 0.000 0.966 28 D HN 0.403 nan 8.370 nan 0.000 0.456 29 D N 0.183 120.649 120.400 0.111 0.000 2.117 29 D HA -0.088 4.553 4.640 0.001 0.000 0.197 29 D C 2.283 178.661 176.300 0.131 0.000 0.987 29 D CA 0.400 54.524 54.000 0.207 0.000 0.829 29 D CB -0.238 40.820 40.800 0.430 0.000 0.961 29 D HN 0.264 nan 8.370 nan 0.000 0.460 30 I N 0.967 121.528 120.570 -0.015 0.000 2.179 30 I HA -0.262 3.909 4.170 0.001 0.000 0.242 30 I C 2.460 178.438 176.117 -0.232 0.000 1.088 30 I CA 1.088 62.161 61.300 -0.379 0.000 1.357 30 I CB -0.192 37.496 38.000 -0.521 0.000 1.051 30 I HN -0.068 nan 8.210 nan 0.000 0.409 31 A N 0.692 123.445 122.820 -0.112 0.000 1.877 31 A HA -0.151 4.170 4.320 0.001 0.000 0.216 31 A C 2.520 180.088 177.584 -0.026 0.000 1.186 31 A CA 1.802 53.802 52.037 -0.062 0.000 0.620 31 A CB -0.898 18.078 19.000 -0.040 0.000 0.822 31 A HN 0.428 nan 8.150 nan 0.000 0.443 32 A N -0.375 122.443 122.820 -0.003 0.000 2.019 32 A HA 0.214 4.535 4.320 0.001 0.000 0.219 32 A C 2.228 179.835 177.584 0.039 0.000 1.164 32 A CA 1.743 53.793 52.037 0.022 0.000 0.644 32 A CB -0.717 18.307 19.000 0.041 0.000 0.805 32 A HN 1.095 nan 8.150 nan 0.000 0.449 33 A N -1.831 121.014 122.820 0.041 0.000 2.238 33 A HA 0.407 4.728 4.320 0.001 0.000 0.208 33 A C 1.735 179.345 177.584 0.043 0.000 1.177 33 A CA 1.183 53.263 52.037 0.071 0.000 0.804 33 A CB -0.881 18.168 19.000 0.082 0.000 0.823 33 A HN 1.849 nan 8.150 nan 0.000 0.482 34 G N -1.657 107.165 108.800 0.037 0.000 2.141 34 G HA2 -0.186 3.775 3.960 0.001 0.000 0.231 34 G HA3 -0.186 3.775 3.960 0.001 0.000 0.231 34 G C 0.173 175.190 174.900 0.194 0.000 0.984 34 G CA 0.046 45.218 45.100 0.120 0.000 0.660 34 G HN 0.694 nan 8.290 nan 0.000 0.525 35 V N 1.640 121.584 119.914 0.050 0.000 2.572 35 V HA 0.404 4.524 4.120 0.001 0.000 0.291 35 V C 1.868 178.002 176.094 0.066 0.000 1.039 35 V CA 1.314 63.642 62.300 0.045 0.000 1.055 35 V CB 1.284 33.064 31.823 -0.072 0.000 0.969 35 V HN 0.713 nan 8.190 nan 0.000 0.482 36 T N 0.974 115.593 114.554 0.109 0.000 3.015 36 T HA 0.188 4.539 4.350 0.001 0.000 0.250 36 T C 0.312 174.937 174.700 -0.125 0.000 1.057 36 T CA 0.250 62.378 62.100 0.046 0.000 1.066 36 T CB 0.053 68.995 68.868 0.123 0.000 0.959 36 T HN 0.694 nan 8.240 nan 0.000 0.488 37 H N -0.271 118.846 119.070 0.079 0.000 2.856 37 H HA 0.688 5.245 4.556 0.001 0.000 0.355 37 H C -1.506 173.949 175.328 0.212 0.000 1.079 37 H CA -0.798 55.324 56.048 0.122 0.000 1.240 37 H CB 2.036 31.860 29.762 0.104 0.000 1.701 37 H HN 0.014 nan 8.280 nan 0.000 0.527 38 V N 2.680 122.803 119.914 0.347 0.000 2.384 38 V HA 0.102 4.222 4.120 0.001 0.000 0.287 38 V C -0.823 175.591 176.094 0.534 0.000 1.020 38 V CA -0.889 61.670 62.300 0.431 0.000 0.850 38 V CB 1.088 33.099 31.823 0.312 0.000 0.987 38 V HN 0.781 nan 8.190 nan 0.000 0.436 39 W N 7.682 129.210 121.300 0.380 0.000 2.345 39 W HA 0.608 5.270 4.660 0.002 0.000 0.308 39 W C -1.159 175.669 176.519 0.514 0.000 1.273 39 W CA -1.127 56.454 57.345 0.394 0.000 1.243 39 W CB 0.273 29.948 29.460 0.358 0.000 1.260 39 W HN 0.421 nan 8.180 nan 0.000 0.509 40 L N 9.365 131.019 121.223 0.720 0.000 2.352 40 L HA 0.514 4.854 4.340 0.001 0.000 0.269 40 L C -1.331 175.583 176.870 0.073 0.000 1.034 40 L CA -2.314 52.777 54.840 0.417 0.000 0.806 40 L CB 1.689 44.000 42.059 0.419 0.000 1.244 40 L HN 0.310 nan 8.230 nan 0.000 0.447 41 P HA 0.158 nan 4.420 nan 0.000 0.274 41 P C -2.686 174.340 177.300 -0.455 0.000 1.260 41 P CA -1.683 60.673 63.100 -1.240 0.000 0.793 41 P CB -0.497 29.897 31.700 -2.176 0.000 1.048 42 P HA 0.049 nan 4.420 nan 0.000 0.261 42 P C -1.587 175.695 177.300 -0.030 0.000 1.203 42 P CA -0.668 62.317 63.100 -0.193 0.000 0.767 42 P CB -0.490 30.977 31.700 -0.389 0.000 0.785 43 P HA -0.035 nan 4.420 nan 0.000 0.227 43 P C -0.098 177.356 177.300 0.257 0.000 1.161 43 P CA 0.799 64.055 63.100 0.260 0.000 0.788 43 P CB 0.477 32.362 31.700 0.308 0.000 0.822 44 S N 0.030 115.849 115.700 0.197 0.000 2.632 44 S HA 0.101 4.572 4.470 0.001 0.000 0.267 44 S C 0.430 175.071 174.600 0.069 0.000 1.276 44 S CA -0.522 57.781 58.200 0.172 0.000 0.998 44 S CB -0.114 63.167 63.200 0.135 0.000 0.953 44 S HN 0.323 nan 8.310 nan 0.000 0.547 45 H N 0.988 120.061 119.070 0.004 0.000 3.115 45 H HA 0.080 4.637 4.556 0.001 0.000 0.324 45 H C -0.340 174.928 175.328 -0.100 0.000 1.007 45 H CA 0.876 56.891 56.048 -0.055 0.000 1.385 45 H CB 0.204 29.930 29.762 -0.061 0.000 1.351 45 H HN 0.482 nan 8.280 nan 0.000 0.592 46 S N 3.730 118.983 115.700 -0.745 0.000 2.546 46 S HA 0.209 4.680 4.470 0.001 0.000 0.272 46 S C 0.643 174.881 174.600 -0.604 0.000 1.140 46 S CA -0.538 57.262 58.200 -0.667 0.000 0.920 46 S CB 1.519 64.497 63.200 -0.371 0.000 1.083 46 S HN 0.455 nan 8.310 nan 0.000 0.476 47 V N 3.263 122.900 119.914 -0.461 0.000 2.720 47 V HA 0.015 4.136 4.120 0.001 0.000 0.256 47 V C 1.225 177.186 176.094 -0.221 0.000 1.082 47 V CA 1.696 63.838 62.300 -0.262 0.000 1.101 47 V CB -0.932 30.798 31.823 -0.154 0.000 0.693 47 V HN 0.873 nan 8.190 nan 0.000 0.479 48 S N -0.340 115.223 115.700 -0.229 0.000 2.525 48 S HA 0.339 4.810 4.470 0.001 0.000 0.290 48 S C 0.755 175.083 174.600 -0.453 0.000 1.152 48 S CA -0.717 57.337 58.200 -0.243 0.000 1.072 48 S CB 1.268 64.418 63.200 -0.084 0.000 1.027 48 S HN 0.261 nan 8.310 nan 0.000 0.500 49 N N 2.146 120.426 118.700 -0.700 0.000 2.149 49 N HA -0.141 4.600 4.740 0.001 0.000 0.188 49 N C 1.087 175.906 175.510 -1.152 0.000 1.019 49 N CA 1.556 53.883 53.050 -1.205 0.000 0.857 49 N CB -0.405 36.678 38.487 -2.341 0.000 0.997 49 N HN 0.750 nan 8.380 nan 0.000 0.426 50 E N -0.522 119.139 120.200 -0.899 0.000 2.338 50 E HA 0.080 4.430 4.350 0.001 0.000 0.197 50 E C 1.350 177.729 176.600 -0.369 0.000 1.007 50 E CA 0.786 56.824 56.400 -0.603 0.000 0.849 50 E CB -0.285 28.959 29.700 -0.761 0.000 0.774 50 E HN 0.466 nan 8.360 nan 0.000 0.506 51 G N -0.624 107.942 108.800 -0.390 0.000 2.179 51 G HA2 -0.306 3.655 3.960 0.001 0.000 0.220 51 G HA3 -0.306 3.655 3.960 0.001 0.000 0.220 51 G C 0.470 175.122 174.900 -0.413 0.000 0.990 51 G CA 0.062 44.931 45.100 -0.384 0.000 0.646 51 G HN 0.291 nan 8.290 nan 0.000 0.517 52 Y N 0.346 120.658 120.300 0.021 0.000 2.502 52 Y HA 0.561 5.112 4.550 0.001 0.000 0.295 52 Y C 1.932 177.859 175.900 0.046 0.000 1.193 52 Y CA 0.614 58.760 58.100 0.077 0.000 1.295 52 Y CB 0.351 38.938 38.460 0.212 0.000 1.059 52 Y HN 0.283 nan 8.280 nan 0.000 0.514 53 M N 2.235 121.870 119.600 0.059 0.000 2.944 53 M HA 0.246 4.726 4.480 0.001 0.000 0.235 53 M C -2.704 173.528 176.300 -0.113 0.000 1.188 53 M CA -1.725 53.606 55.300 0.051 0.000 0.688 53 M CB 1.103 33.748 32.600 0.076 0.000 1.406 53 M HN -0.202 nan 8.290 nan 0.000 0.479 54 P HA 0.121 nan 4.420 nan 0.000 0.268 54 P C -0.133 177.056 177.300 -0.186 0.000 1.205 54 P CA 0.470 63.435 63.100 -0.225 0.000 0.771 54 P CB 1.897 33.458 31.700 -0.232 0.000 0.858 55 G N 3.675 112.386 108.800 -0.148 0.000 2.446 55 G HA2 0.096 4.057 3.960 0.001 0.000 0.202 55 G HA3 0.096 4.057 3.960 0.001 0.000 0.202 55 G C 0.011 174.906 174.900 -0.008 0.000 1.842 55 G CA -0.383 44.738 45.100 0.035 0.000 0.703 55 G HN 0.380 nan 8.290 nan 0.000 0.731 56 R N 2.109 122.719 120.500 0.183 0.000 2.609 56 R HA 0.284 4.625 4.340 0.001 0.000 0.271 56 R C 1.160 177.398 176.300 -0.102 0.000 1.403 56 R CA -0.277 55.773 56.100 -0.084 0.000 1.138 56 R CB 0.328 30.520 30.300 -0.181 0.000 1.142 56 R HN 0.301 nan 8.270 nan 0.000 0.559 57 L N 1.238 122.240 121.223 -0.368 0.000 2.187 57 L HA -0.224 4.117 4.340 0.001 0.000 0.213 57 L C 1.082 177.837 176.870 -0.192 0.000 1.100 57 L CA 1.546 56.025 54.840 -0.602 0.000 0.765 57 L CB -0.340 40.714 42.059 -1.675 0.000 0.904 57 L HN 0.608 nan 8.230 nan 0.000 0.437 58 Y N -1.345 118.877 120.300 -0.130 0.000 2.482 58 Y HA 0.028 4.579 4.550 0.001 0.000 0.270 58 Y C 1.074 177.036 175.900 0.102 0.000 1.152 58 Y CA -0.175 57.886 58.100 -0.065 0.000 1.292 58 Y CB 0.112 38.345 38.460 -0.378 0.000 1.070 58 Y HN 0.019 nan 8.280 nan 0.000 0.528 59 D N 0.923 121.442 120.400 0.197 0.000 2.558 59 D HA 0.070 4.711 4.640 0.001 0.000 0.221 59 D C 1.122 177.560 176.300 0.231 0.000 1.143 59 D CA 0.224 54.329 54.000 0.174 0.000 1.010 59 D CB -0.064 40.766 40.800 0.050 0.000 1.068 59 D HN 0.105 nan 8.370 nan 0.000 0.511 60 I N 1.234 121.989 120.570 0.309 0.000 2.286 60 I HA -0.163 4.008 4.170 0.001 0.000 0.245 60 I C 1.538 177.796 176.117 0.234 0.000 1.104 60 I CA 0.614 62.098 61.300 0.306 0.000 1.397 60 I CB -0.651 37.559 38.000 0.350 0.000 1.072 60 I HN 0.208 nan 8.210 nan 0.000 0.417 61 D N 1.529 122.048 120.400 0.199 0.000 2.228 61 D HA -0.143 4.498 4.640 0.001 0.000 0.203 61 D C 2.010 178.379 176.300 0.115 0.000 0.988 61 D CA 1.392 55.481 54.000 0.148 0.000 0.864 61 D CB 0.016 40.888 40.800 0.120 0.000 0.928 61 D HN 0.351 nan 8.370 nan 0.000 0.469 62 A N 0.007 122.897 122.820 0.116 0.000 2.238 62 A HA 0.063 4.384 4.320 0.001 0.000 0.208 62 A C 1.302 178.929 177.584 0.071 0.000 1.177 62 A CA -0.006 52.086 52.037 0.091 0.000 0.804 62 A CB -0.022 19.041 19.000 0.105 0.000 0.823 62 A HN 0.112 nan 8.150 nan 0.000 0.482 63 S N -0.241 115.514 115.700 0.090 0.000 2.568 63 S HA 0.144 4.615 4.470 0.001 0.000 0.282 63 S C 1.214 175.778 174.600 -0.061 0.000 1.338 63 S CA -0.362 57.855 58.200 0.029 0.000 1.045 63 S CB 0.486 63.781 63.200 0.158 0.000 0.873 63 S HN 0.337 nan 8.310 nan 0.000 0.516 64 K N 3.150 123.410 120.400 -0.234 0.000 2.228 64 K HA -0.005 4.315 4.320 0.001 0.000 0.202 64 K C 1.440 177.881 176.600 -0.265 0.000 1.051 64 K CA 1.322 57.459 56.287 -0.249 0.000 0.960 64 K CB -0.457 31.830 32.500 -0.354 0.000 0.743 64 K HN 0.744 nan 8.250 nan 0.000 0.458 65 Y N 0.193 120.396 120.300 -0.161 0.000 2.439 65 Y HA 0.076 4.627 4.550 0.002 0.000 0.292 65 Y C 1.411 176.909 175.900 -0.670 0.000 1.130 65 Y CA 0.737 58.586 58.100 -0.419 0.000 1.254 65 Y CB 0.122 38.182 38.460 -0.667 0.000 1.000 65 Y HN 0.109 nan 8.280 nan 0.000 0.554 66 G N -0.483 108.202 108.800 -0.191 0.000 2.350 66 G HA2 0.142 4.102 3.960 0.001 0.000 0.304 66 G HA3 0.142 4.102 3.960 0.001 0.000 0.304 66 G C -1.514 173.547 174.900 0.269 0.000 1.421 66 G CA -0.881 44.238 45.100 0.032 0.000 0.934 66 G HN 0.212 nan 8.290 nan 0.000 0.632 67 N N -0.346 118.500 118.700 0.244 0.000 2.448 67 N HA 0.665 5.406 4.740 0.001 0.000 0.274 67 N C 1.666 177.306 175.510 0.216 0.000 1.239 67 N CA 0.361 53.538 53.050 0.212 0.000 0.982 67 N CB 0.778 39.347 38.487 0.137 0.000 1.199 67 N HN 1.251 nan 8.380 nan 0.000 0.576 68 A N -0.387 122.533 122.820 0.167 0.000 1.940 68 A HA -0.046 4.275 4.320 0.001 0.000 0.219 68 A C 2.148 179.754 177.584 0.036 0.000 1.176 68 A CA 2.340 54.441 52.037 0.108 0.000 0.631 68 A CB -1.540 17.535 19.000 0.126 0.000 0.814 68 A HN 0.866 nan 8.150 nan 0.000 0.446 69 A N -0.155 122.695 122.820 0.050 0.000 1.877 69 A HA -0.179 4.142 4.320 0.001 0.000 0.216 69 A C 1.919 179.503 177.584 -0.000 0.000 1.186 69 A CA 1.647 53.693 52.037 0.014 0.000 0.620 69 A CB -0.585 18.432 19.000 0.028 0.000 0.822 69 A HN 0.634 nan 8.150 nan 0.000 0.443 70 E N -0.737 119.497 120.200 0.057 0.000 2.077 70 E HA -0.196 4.155 4.350 0.001 0.000 0.193 70 E C 1.951 178.541 176.600 -0.017 0.000 0.989 70 E CA 1.258 57.707 56.400 0.080 0.000 0.800 70 E CB -0.273 29.552 29.700 0.209 0.000 0.746 70 E HN 0.513 nan 8.360 nan 0.000 0.452 71 L N 1.625 122.793 121.223 -0.093 0.000 2.056 71 L HA -0.145 4.196 4.340 0.001 0.000 0.207 71 L C 1.879 178.508 176.870 -0.403 0.000 1.078 71 L CA 1.845 56.398 54.840 -0.479 0.000 0.749 71 L CB -0.171 41.624 42.059 -0.440 0.000 0.901 71 L HN -0.120 nan 8.230 nan 0.000 0.433 72 K N -0.935 119.302 120.400 -0.271 0.000 2.057 72 K HA -0.158 4.162 4.320 0.001 0.000 0.207 72 K C 2.342 178.795 176.600 -0.245 0.000 1.049 72 K CA 1.473 57.594 56.287 -0.276 0.000 0.931 72 K CB -0.315 32.074 32.500 -0.186 0.000 0.714 72 K HN 0.445 nan 8.250 nan 0.000 0.440 73 S N 1.176 116.770 115.700 -0.176 0.000 2.368 73 S HA -0.133 4.338 4.470 0.001 0.000 0.225 73 S C 1.940 176.436 174.600 -0.174 0.000 1.030 73 S CA 0.917 59.033 58.200 -0.140 0.000 0.999 73 S CB -0.154 62.995 63.200 -0.085 0.000 0.844 73 S HN 0.245 nan 8.310 nan 0.000 0.459 74 L N 1.641 122.739 121.223 -0.208 0.000 2.027 74 L HA 0.142 4.483 4.340 0.001 0.000 0.206 74 L C 2.102 178.801 176.870 -0.285 0.000 1.074 74 L CA 1.741 56.453 54.840 -0.214 0.000 0.745 74 L CB -0.740 41.183 42.059 -0.227 0.000 0.898 74 L HN 0.417 nan 8.230 nan 0.000 0.433 75 I N -0.268 120.055 120.570 -0.413 0.000 2.264 75 I HA -0.233 3.938 4.170 0.001 0.000 0.248 75 I C 2.443 178.207 176.117 -0.588 0.000 1.111 75 I CA 1.307 62.261 61.300 -0.577 0.000 1.382 75 I CB -1.066 36.477 38.000 -0.761 0.000 1.060 75 I HN 0.458 nan 8.210 nan 0.000 0.418 76 G N 0.408 108.982 108.800 -0.377 0.000 2.422 76 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 76 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 76 G C 1.831 176.644 174.900 -0.145 0.000 1.146 76 G CA 0.777 45.744 45.100 -0.221 0.000 0.769 76 G HN 0.496 nan 8.290 nan 0.000 0.547 77 A N 0.310 123.038 122.820 -0.153 0.000 1.968 77 A HA 0.216 4.537 4.320 0.001 0.000 0.217 77 A C 2.397 179.926 177.584 -0.092 0.000 1.169 77 A CA 0.865 52.841 52.037 -0.102 0.000 0.638 77 A CB -0.260 18.682 19.000 -0.097 0.000 0.812 77 A HN 0.355 nan 8.150 nan 0.000 0.446 78 L N -1.467 119.671 121.223 -0.141 0.000 1.994 78 L HA -0.213 4.127 4.340 0.001 0.000 0.208 78 L C 2.535 179.404 176.870 -0.001 0.000 1.071 78 L CA 1.761 56.541 54.840 -0.099 0.000 0.745 78 L CB -0.897 41.071 42.059 -0.152 0.000 0.892 78 L HN 0.538 nan 8.230 nan 0.000 0.431 79 H N -0.881 118.126 119.070 -0.106 0.000 2.422 79 H HA -0.125 4.432 4.556 0.002 0.000 0.298 79 H C 2.226 177.505 175.328 -0.082 0.000 1.098 79 H CA 0.531 56.519 56.048 -0.101 0.000 1.315 79 H CB -0.064 29.631 29.762 -0.110 0.000 1.382 79 H HN 0.423 nan 8.280 nan 0.000 0.523 80 G N 0.593 109.423 108.800 0.051 0.000 2.471 80 G HA2 -0.168 3.793 3.960 0.001 0.000 0.219 80 G HA3 -0.168 3.793 3.960 0.001 0.000 0.219 80 G C 1.445 176.339 174.900 -0.009 0.000 1.125 80 G CA 0.334 45.437 45.100 0.005 0.000 0.775 80 G HN 0.174 nan 8.290 nan 0.000 0.548 81 K N 0.206 120.600 120.400 -0.010 0.000 2.397 81 K HA 0.214 4.534 4.320 0.001 0.000 0.202 81 K C 1.444 178.031 176.600 -0.020 0.000 1.022 81 K CA 0.330 56.605 56.287 -0.019 0.000 1.141 81 K CB 0.444 32.927 32.500 -0.028 0.000 0.857 81 K HN 0.297 nan 8.250 nan 0.000 0.514 82 G N 1.046 109.834 108.800 -0.019 0.000 2.148 82 G HA2 -0.242 3.719 3.960 0.001 0.000 0.254 82 G HA3 -0.242 3.719 3.960 0.001 0.000 0.254 82 G C 0.142 175.011 174.900 -0.051 0.000 0.981 82 G CA 0.324 45.401 45.100 -0.038 0.000 0.670 82 G HN 0.136 nan 8.290 nan 0.000 0.528 83 V N 1.104 121.003 119.914 -0.025 0.000 2.481 83 V HA 0.448 4.569 4.120 0.001 0.000 0.286 83 V C 0.754 176.849 176.094 0.001 0.000 1.042 83 V CA -0.591 61.679 62.300 -0.049 0.000 0.928 83 V CB 1.671 33.473 31.823 -0.035 0.000 0.986 83 V HN 0.448 nan 8.190 nan 0.000 0.462 84 Q N 2.007 121.728 119.800 -0.132 0.000 2.317 84 Q HA 0.719 5.060 4.340 0.001 0.000 0.229 84 Q C -0.262 175.793 176.000 0.093 0.000 0.984 84 Q CA -0.515 55.273 55.803 -0.025 0.000 0.911 84 Q CB 1.585 30.189 28.738 -0.223 0.000 1.217 84 Q HN 0.888 nan 8.270 nan 0.000 0.501 85 A N 1.716 124.633 122.820 0.162 0.000 2.330 85 A HA 0.596 4.917 4.320 0.001 0.000 0.313 85 A C -0.845 176.964 177.584 0.376 0.000 1.124 85 A CA -0.631 51.533 52.037 0.212 0.000 0.774 85 A CB 0.595 19.583 19.000 -0.020 0.000 1.198 85 A HN 0.646 nan 8.150 nan 0.000 0.465 86 I N 2.212 123.034 120.570 0.420 0.000 2.354 86 I HA 0.521 4.692 4.170 0.001 0.000 0.292 86 I C 0.682 176.989 176.117 0.317 0.000 0.989 86 I CA -0.307 61.184 61.300 0.318 0.000 1.188 86 I CB 1.917 40.078 38.000 0.268 0.000 1.342 86 I HN 0.709 nan 8.210 nan 0.000 0.457 87 A N 4.661 127.483 122.820 0.002 0.000 2.310 87 A HA 0.293 4.614 4.320 0.001 0.000 0.299 87 A C -0.395 177.214 177.584 0.042 0.000 1.147 87 A CA -0.504 51.316 52.037 -0.362 0.000 0.818 87 A CB 0.553 18.903 19.000 -1.084 0.000 1.096 87 A HN 0.686 nan 8.150 nan 0.000 0.495 88 D N 2.448 122.933 120.400 0.142 0.000 2.374 88 D HA 0.194 4.835 4.640 0.001 0.000 0.240 88 D C -0.424 175.949 176.300 0.122 0.000 1.229 88 D CA -0.015 54.152 54.000 0.279 0.000 0.895 88 D CB 0.227 41.311 40.800 0.474 0.000 1.046 88 D HN 0.213 nan 8.370 nan 0.000 0.498 89 I N 5.090 125.721 120.570 0.101 0.000 2.291 89 I HA 0.079 4.250 4.170 0.001 0.000 0.292 89 I C 0.133 176.310 176.117 0.099 0.000 1.064 89 I CA -0.605 60.714 61.300 0.032 0.000 1.269 89 I CB 0.899 38.818 38.000 -0.135 0.000 1.418 89 I HN 0.062 nan 8.210 nan 0.000 0.485 90 V N 8.414 128.375 119.914 0.077 0.000 2.277 90 V HA 0.288 4.409 4.120 0.001 0.000 0.269 90 V C 1.030 177.039 176.094 -0.141 0.000 1.036 90 V CA -0.183 62.127 62.300 0.017 0.000 0.821 90 V CB 0.804 32.629 31.823 0.005 0.000 1.052 90 V HN 0.675 nan 8.190 nan 0.000 0.462 91 I N 0.671 121.169 120.570 -0.119 0.000 4.338 91 I HA 0.347 4.518 4.170 0.001 0.000 0.329 91 I C 1.509 177.593 176.117 -0.055 0.000 1.378 91 I CA 0.039 61.224 61.300 -0.191 0.000 1.170 91 I CB 0.199 38.011 38.000 -0.314 0.000 1.206 91 I HN 0.470 nan 8.210 nan 0.000 0.432 92 N N 2.128 120.872 118.700 0.073 0.000 2.166 92 N HA -0.140 4.600 4.740 0.001 0.000 0.186 92 N C 0.687 176.386 175.510 0.315 0.000 1.019 92 N CA 1.551 54.840 53.050 0.399 0.000 0.856 92 N CB 0.034 38.923 38.487 0.669 0.000 0.993 92 N HN 0.675 nan 8.380 nan 0.000 0.426 93 H N -2.547 116.631 119.070 0.180 0.000 2.907 93 H HA 0.614 5.171 4.556 0.002 0.000 0.361 93 H C -0.935 174.406 175.328 0.021 0.000 1.194 93 H CA -1.144 54.974 56.048 0.117 0.000 1.152 93 H CB 1.204 31.067 29.762 0.168 0.000 1.867 93 H HN 0.046 nan 8.280 nan 0.000 0.561 94 R N 0.852 121.436 120.500 0.141 0.000 2.594 94 R HA 0.443 4.784 4.340 0.001 0.000 0.265 94 R C -1.818 174.652 176.300 0.284 0.000 1.070 94 R CA -0.472 55.673 56.100 0.077 0.000 0.909 94 R CB 1.913 32.152 30.300 -0.101 0.000 1.243 94 R HN 0.729 nan 8.270 nan 0.000 0.455 95 C N 2.657 122.061 119.300 0.173 0.000 2.350 95 C HA 0.743 5.204 4.460 0.001 0.000 0.348 95 C C 0.728 175.699 174.990 -0.031 0.000 1.260 95 C CA -0.450 58.601 59.018 0.054 0.000 1.966 95 C CB 0.712 28.424 27.740 -0.046 0.000 2.380 95 C HN 0.784 nan 8.230 nan 0.000 0.535 96 A N 2.233 124.799 122.820 -0.423 0.000 2.316 96 A HA 0.422 4.743 4.320 0.001 0.000 0.284 96 A C 0.555 177.857 177.584 -0.470 0.000 1.115 96 A CA -0.142 51.438 52.037 -0.761 0.000 0.812 96 A CB 0.339 18.611 19.000 -1.213 0.000 1.064 96 A HN 0.897 nan 8.150 nan 0.000 0.489 97 D N -0.785 119.301 120.400 -0.523 0.000 2.213 97 D HA 0.109 4.750 4.640 0.001 0.000 0.205 97 D C -0.537 175.614 176.300 -0.248 0.000 0.961 97 D CA 1.792 55.439 54.000 -0.589 0.000 0.853 97 D CB 0.008 40.186 40.800 -1.037 0.000 0.967 97 D HN 0.540 nan 8.370 nan 0.000 0.496 98 Y N -0.163 120.221 120.300 0.141 0.000 2.536 98 Y HA 0.475 5.026 4.550 0.002 0.000 0.347 98 Y C 0.240 176.281 175.900 0.235 0.000 1.000 98 Y CA -1.384 56.894 58.100 0.297 0.000 1.051 98 Y CB 1.078 39.594 38.460 0.093 0.000 1.259 98 Y HN -0.458 nan 8.280 nan 0.000 0.468 99 K N 2.105 122.528 120.400 0.038 0.000 2.118 99 K HA 0.248 4.569 4.320 0.001 0.000 0.264 99 K C -0.456 176.096 176.600 -0.081 0.000 1.000 99 K CA -0.751 55.344 56.287 -0.319 0.000 0.929 99 K CB 0.699 32.837 32.500 -0.605 0.000 1.021 99 K HN 0.763 nan 8.250 nan 0.000 0.463 100 D N -0.085 120.274 120.400 -0.068 0.000 2.567 100 D HA 0.110 4.751 4.640 0.001 0.000 0.275 100 D C 0.603 176.881 176.300 -0.037 0.000 1.195 100 D CA -0.540 53.450 54.000 -0.016 0.000 1.087 100 D CB 0.135 40.946 40.800 0.020 0.000 1.165 100 D HN 0.248 nan 8.370 nan 0.000 0.609 101 S N -0.656 115.034 115.700 -0.016 0.000 2.372 101 S HA -0.214 4.257 4.470 0.001 0.000 0.227 101 S C 1.748 176.330 174.600 -0.030 0.000 1.044 101 S CA 1.442 59.629 58.200 -0.021 0.000 1.050 101 S CB -0.438 62.757 63.200 -0.008 0.000 0.901 101 S HN 0.445 nan 8.310 nan 0.000 0.447 102 R N 0.646 121.130 120.500 -0.026 0.000 2.328 102 R HA 0.100 4.441 4.340 0.001 0.000 0.207 102 R C 1.546 177.812 176.300 -0.056 0.000 1.056 102 R CA 0.531 56.612 56.100 -0.031 0.000 1.016 102 R CB -0.413 29.878 30.300 -0.016 0.000 0.872 102 R HN 0.507 nan 8.270 nan 0.000 0.471 103 G N 1.288 110.039 108.800 -0.082 0.000 2.147 103 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 103 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 103 G C 0.088 174.873 174.900 -0.191 0.000 1.005 103 G CA -0.118 44.900 45.100 -0.137 0.000 0.713 103 G HN 0.255 nan 8.290 nan 0.000 0.515 104 I N -0.050 120.435 120.570 -0.142 0.000 2.460 104 I HA 0.350 4.521 4.170 0.001 0.000 0.298 104 I C 0.091 176.145 176.117 -0.105 0.000 0.989 104 I CA -1.247 59.995 61.300 -0.098 0.000 1.173 104 I CB 1.172 39.175 38.000 0.005 0.000 1.338 104 I HN -0.027 nan 8.210 nan 0.000 0.456 105 Y N 4.929 125.275 120.300 0.077 0.000 2.584 105 Y HA 0.111 4.662 4.550 0.001 0.000 0.351 105 Y C 0.907 176.749 175.900 -0.096 0.000 1.030 105 Y CA -0.411 57.680 58.100 -0.015 0.000 1.332 105 Y CB 0.347 38.798 38.460 -0.014 0.000 1.148 105 Y HN 0.672 nan 8.280 nan 0.000 0.528 106 C N 1.129 120.394 119.300 -0.058 0.000 3.897 106 C HA 0.409 4.870 4.460 0.001 0.000 0.304 106 C C -0.570 174.290 174.990 -0.215 0.000 2.314 106 C CA -0.736 58.169 59.018 -0.188 0.000 1.559 106 C CB -1.198 26.612 27.740 0.116 0.000 3.163 106 C HN 0.435 nan 8.230 nan 0.000 0.476 107 I N 2.721 123.171 120.570 -0.201 0.000 2.337 107 I HA 0.478 4.649 4.170 0.001 0.000 0.285 107 I C -0.302 175.679 176.117 -0.227 0.000 1.041 107 I CA -0.940 60.359 61.300 -0.001 0.000 1.199 107 I CB -0.390 37.724 38.000 0.190 0.000 1.370 107 I HN 0.095 nan 8.210 nan 0.000 0.470 108 F N 3.814 123.762 119.950 -0.004 0.000 2.370 108 F HA 0.463 4.991 4.527 0.002 0.000 0.324 108 F C 0.810 176.453 175.800 -0.262 0.000 1.116 108 F CA -0.462 57.429 58.000 -0.181 0.000 1.123 108 F CB 0.793 39.683 39.000 -0.183 0.000 1.238 108 F HN 0.362 nan 8.300 nan 0.000 0.536 109 E N -0.289 119.796 120.200 -0.191 0.000 2.260 109 E HA 0.392 4.743 4.350 0.001 0.000 0.266 109 E C 0.456 176.927 176.600 -0.214 0.000 0.887 109 E CA -0.452 55.827 56.400 -0.202 0.000 0.777 109 E CB 1.491 31.008 29.700 -0.304 0.000 1.205 109 E HN 0.567 nan 8.360 nan 0.000 0.414 110 G N 2.613 111.292 108.800 -0.200 0.000 2.484 110 G HA2 0.237 4.198 3.960 0.001 0.000 0.218 110 G HA3 0.237 4.198 3.960 0.001 0.000 0.218 110 G C 1.000 175.853 174.900 -0.078 0.000 1.130 110 G CA 0.469 45.455 45.100 -0.190 0.000 0.784 110 G HN 1.291 nan 8.290 nan 0.000 0.543 111 G N -1.260 107.480 108.800 -0.099 0.000 2.211 111 G HA2 -0.137 3.824 3.960 0.001 0.000 0.201 111 G HA3 -0.137 3.824 3.960 0.001 0.000 0.201 111 G C 0.536 175.383 174.900 -0.089 0.000 0.997 111 G CA 0.844 45.902 45.100 -0.071 0.000 0.652 111 G HN 1.264 nan 8.290 nan 0.000 0.500 112 T N -2.373 112.084 114.554 -0.162 0.000 2.910 112 T HA 0.732 5.082 4.350 0.001 0.000 0.279 112 T C 1.278 175.906 174.700 -0.120 0.000 0.989 112 T CA 0.775 62.753 62.100 -0.202 0.000 0.968 112 T CB 1.773 70.415 68.868 -0.377 0.000 1.135 112 T HN 0.427 nan 8.240 nan 0.000 0.562 113 S N 0.307 115.945 115.700 -0.104 0.000 2.377 113 S HA -0.014 4.457 4.470 0.001 0.000 0.223 113 S C 0.956 175.524 174.600 -0.052 0.000 1.030 113 S CA 0.975 59.140 58.200 -0.059 0.000 0.970 113 S CB -0.912 62.260 63.200 -0.046 0.000 0.830 113 S HN 0.905 nan 8.310 nan 0.000 0.473 114 D N -0.332 120.022 120.400 -0.076 0.000 2.376 114 D HA 0.187 4.828 4.640 0.001 0.000 0.268 114 D C 1.216 177.487 176.300 -0.048 0.000 1.252 114 D CA 0.327 54.294 54.000 -0.055 0.000 1.041 114 D CB -0.395 40.368 40.800 -0.061 0.000 1.109 114 D HN 0.182 nan 8.370 nan 0.000 0.552 115 G N -1.356 107.430 108.800 -0.023 0.000 3.233 115 G HA2 -0.011 3.950 3.960 0.001 0.000 0.227 115 G HA3 -0.011 3.950 3.960 0.001 0.000 0.227 115 G C 0.600 175.499 174.900 -0.000 0.000 1.175 115 G CA -0.462 44.641 45.100 0.005 0.000 0.781 115 G HN 0.264 nan 8.290 nan 0.000 0.542 116 R N 0.443 120.912 120.500 -0.051 0.000 2.480 116 R HA 0.239 4.580 4.340 0.001 0.000 0.303 116 R C 0.629 176.875 176.300 -0.090 0.000 0.985 116 R CA 0.077 56.154 56.100 -0.039 0.000 1.051 116 R CB 0.018 30.246 30.300 -0.120 0.000 0.935 116 R HN 0.289 nan 8.270 nan 0.000 0.410 117 L N 1.303 122.450 121.223 -0.128 0.000 4.696 117 L HA -0.260 4.081 4.340 0.001 0.000 0.425 117 L C -0.471 176.046 176.870 -0.588 0.000 1.115 117 L CA 0.479 54.930 54.840 -0.648 0.000 0.996 117 L CB -1.065 40.585 42.059 -0.681 0.000 2.077 117 L HN 0.708 nan 8.230 nan 0.000 0.792 118 D N 0.750 121.069 120.400 -0.134 0.000 2.801 118 D HA 0.107 4.747 4.640 0.001 0.000 0.232 118 D C 0.482 176.928 176.300 0.244 0.000 1.128 118 D CA 0.035 54.051 54.000 0.028 0.000 1.003 118 D CB 0.004 40.849 40.800 0.075 0.000 1.110 118 D HN 0.159 nan 8.370 nan 0.000 0.477 119 W N 0.917 122.303 121.300 0.143 0.000 2.079 119 W HA 0.433 5.093 4.660 0.001 0.000 0.354 119 W C 1.172 177.915 176.519 0.373 0.000 1.302 119 W CA -1.004 56.446 57.345 0.175 0.000 1.281 119 W CB 0.048 29.454 29.460 -0.090 0.000 1.165 119 W HN 0.006 nan 8.180 nan 0.000 0.603 120 G N 0.696 109.805 108.800 0.515 0.000 2.735 120 G HA2 0.470 4.431 3.960 0.001 0.000 0.301 120 G HA3 0.470 4.431 3.960 0.001 0.000 0.301 120 G C -1.956 173.176 174.900 0.386 0.000 1.279 120 G CA -1.178 44.154 45.100 0.387 0.000 1.019 120 G HN 0.146 nan 8.290 nan 0.000 0.497 121 P HA -0.186 nan 4.420 nan 0.000 0.226 121 P C 0.963 178.396 177.300 0.220 0.000 1.146 121 P CA 1.078 64.336 63.100 0.263 0.000 0.773 121 P CB 0.145 31.961 31.700 0.193 0.000 0.772 122 H N 0.119 119.238 119.070 0.082 0.000 2.457 122 H HA 0.032 4.589 4.556 0.001 0.000 0.294 122 H C 1.600 176.893 175.328 -0.058 0.000 1.064 122 H CA 1.423 57.478 56.048 0.013 0.000 1.330 122 H CB -0.589 29.172 29.762 -0.003 0.000 1.395 122 H HN -0.064 nan 8.280 nan 0.000 0.541 123 M N -0.042 119.474 119.600 -0.140 0.000 2.619 123 M HA 0.140 4.621 4.480 0.001 0.000 0.251 123 M C 0.030 176.157 176.300 -0.288 0.000 1.106 123 M CA 0.476 55.530 55.300 -0.409 0.000 1.086 123 M CB 0.080 32.289 32.600 -0.651 0.000 1.465 123 M HN 0.093 nan 8.290 nan 0.000 0.506 124 I N -0.468 120.070 120.570 -0.054 0.000 2.365 124 I HA 0.087 4.258 4.170 0.001 0.000 0.291 124 I C 0.002 176.119 176.117 -0.000 0.000 1.004 124 I CA -0.849 60.469 61.300 0.031 0.000 1.311 124 I CB 0.955 39.076 38.000 0.203 0.000 1.401 124 I HN -0.010 nan 8.210 nan 0.000 0.491 125 C N 5.985 125.286 119.300 0.003 0.000 2.419 125 C HA -0.054 4.407 4.460 0.001 0.000 0.398 125 C C 2.204 177.226 174.990 0.054 0.000 1.498 125 C CA -0.146 58.882 59.018 0.016 0.000 1.494 125 C CB -1.046 26.732 27.740 0.062 0.000 2.485 125 C HN 0.938 nan 8.230 nan 0.000 0.608 126 R N 2.801 123.322 120.500 0.034 0.000 2.200 126 R HA -0.138 4.202 4.340 0.001 0.000 0.234 126 R C 1.072 177.411 176.300 0.065 0.000 1.127 126 R CA 2.144 58.277 56.100 0.055 0.000 0.989 126 R CB -0.314 30.012 30.300 0.044 0.000 0.869 126 R HN 0.856 nan 8.270 nan 0.000 0.459 127 D N -0.135 120.304 120.400 0.066 0.000 2.328 127 D HA -0.088 4.552 4.640 0.001 0.000 0.226 127 D C -0.069 176.284 176.300 0.088 0.000 1.066 127 D CA 0.044 54.084 54.000 0.067 0.000 0.861 127 D CB -0.074 40.761 40.800 0.059 0.000 0.912 127 D HN 0.178 nan 8.370 nan 0.000 0.521 128 D N 1.596 122.068 120.400 0.120 0.000 3.139 128 D HA -0.015 4.626 4.640 0.001 0.000 0.268 128 D C 1.399 177.793 176.300 0.156 0.000 1.322 128 D CA -0.002 54.099 54.000 0.168 0.000 0.940 128 D CB 0.042 40.989 40.800 0.245 0.000 1.050 128 D HN 0.076 nan 8.370 nan 0.000 0.503 129 T N -1.648 112.957 114.554 0.085 0.000 2.836 129 T HA -0.295 4.056 4.350 0.001 0.000 0.268 129 T C 1.694 176.389 174.700 -0.009 0.000 1.080 129 T CA 1.170 63.297 62.100 0.045 0.000 1.128 129 T CB -0.198 68.684 68.868 0.022 0.000 0.839 129 T HN 0.259 nan 8.240 nan 0.000 0.507 130 K N -0.437 119.924 120.400 -0.065 0.000 2.442 130 K HA -0.065 4.256 4.320 0.001 0.000 0.198 130 K C 0.813 177.096 176.600 -0.528 0.000 1.044 130 K CA 1.077 57.180 56.287 -0.307 0.000 0.948 130 K CB -0.028 32.241 32.500 -0.386 0.000 0.762 130 K HN 0.637 nan 8.250 nan 0.000 0.472 131 Y N -1.511 118.834 120.300 0.075 0.000 2.524 131 Y HA 0.103 4.654 4.550 0.002 0.000 0.276 131 Y C 0.925 176.883 175.900 0.096 0.000 1.155 131 Y CA -0.264 57.890 58.100 0.091 0.000 1.165 131 Y CB 0.207 38.748 38.460 0.135 0.000 1.306 131 Y HN -0.020 nan 8.280 nan 0.000 0.522 132 S N 1.274 117.121 115.700 0.245 0.000 2.596 132 S HA 0.042 4.513 4.470 0.001 0.000 0.260 132 S C 0.473 175.148 174.600 0.126 0.000 1.336 132 S CA 0.147 58.454 58.200 0.179 0.000 0.993 132 S CB 0.641 63.924 63.200 0.138 0.000 0.923 132 S HN 0.404 nan 8.310 nan 0.000 0.567 133 D N -1.558 118.914 120.400 0.120 0.000 2.559 133 D HA 0.218 4.859 4.640 0.001 0.000 0.234 133 D C 1.246 177.595 176.300 0.082 0.000 1.226 133 D CA 0.092 54.147 54.000 0.093 0.000 0.830 133 D CB -0.778 40.082 40.800 0.100 0.000 1.028 133 D HN 1.053 nan 8.370 nan 0.000 0.492 134 G N 1.085 109.933 108.800 0.080 0.000 2.219 134 G HA2 -0.419 3.542 3.960 0.001 0.000 0.271 134 G HA3 -0.419 3.542 3.960 0.001 0.000 0.271 134 G C 1.115 176.061 174.900 0.077 0.000 0.991 134 G CA 1.496 46.636 45.100 0.067 0.000 0.685 134 G HN 0.655 nan 8.290 nan 0.000 0.531 135 T N -3.174 111.449 114.554 0.115 0.000 3.065 135 T HA 0.668 5.019 4.350 0.001 0.000 0.252 135 T C 1.461 176.274 174.700 0.188 0.000 1.099 135 T CA 1.296 63.489 62.100 0.154 0.000 1.063 135 T CB 0.339 69.312 68.868 0.174 0.000 0.948 135 T HN 1.420 nan 8.240 nan 0.000 0.506 136 A N 2.002 124.881 122.820 0.099 0.000 2.251 136 A HA 0.518 4.839 4.320 0.001 0.000 0.278 136 A C 0.528 178.096 177.584 -0.026 0.000 1.206 136 A CA -0.744 51.262 52.037 -0.051 0.000 0.822 136 A CB 0.084 19.001 19.000 -0.139 0.000 1.187 136 A HN 0.445 nan 8.150 nan 0.000 0.504 137 N N -0.838 117.819 118.700 -0.072 0.000 2.381 137 N HA 0.287 5.028 4.740 0.001 0.000 0.254 137 N C -0.341 175.161 175.510 -0.014 0.000 1.264 137 N CA -0.067 52.962 53.050 -0.035 0.000 0.942 137 N CB 0.322 38.777 38.487 -0.053 0.000 1.190 137 N HN 0.495 nan 8.380 nan 0.000 0.495 138 L N 0.500 121.727 121.223 0.006 0.000 2.436 138 L HA 0.069 4.410 4.340 0.001 0.000 0.265 138 L C 0.939 177.830 176.870 0.034 0.000 1.168 138 L CA -0.463 54.392 54.840 0.025 0.000 0.815 138 L CB 0.269 42.345 42.059 0.029 0.000 1.109 138 L HN 0.433 nan 8.230 nan 0.000 0.462 139 D N 0.483 120.917 120.400 0.057 0.000 2.472 139 D HA -0.060 4.580 4.640 0.001 0.000 0.237 139 D C 1.001 177.354 176.300 0.089 0.000 1.141 139 D CA 0.211 54.263 54.000 0.087 0.000 0.875 139 D CB 1.281 42.150 40.800 0.115 0.000 1.192 139 D HN 0.665 nan 8.370 nan 0.000 0.450 140 T N 0.206 114.832 114.554 0.120 0.000 3.100 140 T HA 0.369 4.719 4.350 0.001 0.000 0.253 140 T C 0.860 175.622 174.700 0.103 0.000 1.118 140 T CA 0.282 62.447 62.100 0.109 0.000 1.058 140 T CB 0.284 69.232 68.868 0.133 0.000 0.953 140 T HN 0.362 nan 8.240 nan 0.000 0.515 141 G N 0.353 109.221 108.800 0.112 0.000 2.911 141 G HA2 0.651 4.612 3.960 0.001 0.000 0.299 141 G HA3 0.651 4.612 3.960 0.001 0.000 0.299 141 G C -0.742 174.188 174.900 0.050 0.000 1.283 141 G CA -0.550 44.578 45.100 0.047 0.000 0.805 141 G HN 0.435 nan 8.290 nan 0.000 0.548 142 A N -0.688 122.122 122.820 -0.017 0.000 2.429 142 A HA 0.500 4.821 4.320 0.001 0.000 0.242 142 A C -0.101 177.640 177.584 0.262 0.000 1.088 142 A CA 0.620 52.716 52.037 0.098 0.000 0.784 142 A CB 0.205 19.279 19.000 0.123 0.000 1.038 142 A HN 0.681 nan 8.150 nan 0.000 0.501 143 D N -1.172 119.430 120.400 0.336 0.000 2.163 143 D HA 0.484 5.125 4.640 0.001 0.000 0.248 143 D C -1.120 175.449 176.300 0.449 0.000 1.035 143 D CA -0.243 53.982 54.000 0.375 0.000 0.872 143 D CB 0.640 41.571 40.800 0.217 0.000 1.183 143 D HN 0.279 nan 8.370 nan 0.000 0.445 144 F N 3.490 123.594 119.950 0.256 0.000 2.385 144 F HA 0.509 5.037 4.527 0.002 0.000 0.360 144 F C 0.981 176.757 175.800 -0.039 0.000 1.122 144 F CA -0.762 57.208 58.000 -0.049 0.000 1.090 144 F CB 1.078 39.869 39.000 -0.348 0.000 1.150 144 F HN 0.537 nan 8.300 nan 0.000 0.472 145 A N 4.949 127.441 122.820 -0.546 0.000 1.873 145 A HA -0.153 4.168 4.320 0.001 0.000 0.218 145 A C 2.144 179.592 177.584 -0.226 0.000 1.193 145 A CA 2.114 53.939 52.037 -0.353 0.000 0.629 145 A CB -1.289 17.477 19.000 -0.391 0.000 0.826 145 A HN 0.981 nan 8.150 nan 0.000 0.447 146 A N -1.750 120.800 122.820 -0.449 0.000 2.167 146 A HA 0.555 4.876 4.320 0.001 0.000 0.214 146 A C 1.051 178.730 177.584 0.158 0.000 1.151 146 A CA 1.311 53.297 52.037 -0.084 0.000 0.735 146 A CB -0.566 18.377 19.000 -0.096 0.000 0.802 146 A HN 1.427 nan 8.150 nan 0.000 0.467 147 A N -1.085 121.873 122.820 0.229 0.000 2.566 147 A HA 0.689 5.010 4.320 0.001 0.000 0.292 147 A C -3.204 174.380 177.584 -0.000 0.000 1.112 147 A CA -1.847 50.254 52.037 0.108 0.000 0.707 147 A CB 0.590 19.744 19.000 0.256 0.000 1.302 147 A HN -0.032 nan 8.150 nan 0.000 0.409 148 P HA 0.219 nan 4.420 nan 0.000 0.263 148 P C -1.051 176.342 177.300 0.155 0.000 1.195 148 P CA 0.646 63.617 63.100 -0.216 0.000 0.762 148 P CB 0.333 31.951 31.700 -0.137 0.000 0.799 149 D N 3.003 123.533 120.400 0.216 0.000 2.264 149 D HA 0.187 4.827 4.640 0.001 0.000 0.250 149 D C 0.298 176.648 176.300 0.083 0.000 1.113 149 D CA -0.101 54.040 54.000 0.235 0.000 0.871 149 D CB 0.376 41.340 40.800 0.274 0.000 1.167 149 D HN 0.125 nan 8.370 nan 0.000 0.447 150 I N 1.956 122.514 120.570 -0.020 0.000 2.529 150 I HA 0.027 4.198 4.170 0.001 0.000 0.284 150 I C 0.603 176.447 176.117 -0.455 0.000 1.082 150 I CA -0.277 60.835 61.300 -0.314 0.000 1.406 150 I CB 0.614 38.346 38.000 -0.446 0.000 1.405 150 I HN 0.367 nan 8.210 nan 0.000 0.548 151 D N 5.750 125.879 120.400 -0.450 0.000 2.435 151 D HA 0.016 4.657 4.640 0.001 0.000 0.230 151 D C 1.169 177.199 176.300 -0.450 0.000 1.215 151 D CA 0.016 53.805 54.000 -0.350 0.000 0.947 151 D CB 0.214 40.834 40.800 -0.300 0.000 1.048 151 D HN 0.293 nan 8.370 nan 0.000 0.512 152 H N 3.173 122.175 119.070 -0.114 0.000 2.561 152 H HA -0.011 4.546 4.556 0.002 0.000 0.278 152 H C 1.500 176.773 175.328 -0.091 0.000 1.014 152 H CA 0.477 56.478 56.048 -0.079 0.000 1.211 152 H CB 0.527 30.283 29.762 -0.010 0.000 1.365 152 H HN 0.487 nan 8.280 nan 0.000 0.594 153 L N 0.166 121.360 121.223 -0.049 0.000 2.418 153 L HA -0.021 4.320 4.340 0.001 0.000 0.218 153 L C 1.256 178.055 176.870 -0.119 0.000 1.125 153 L CA 0.037 54.839 54.840 -0.064 0.000 0.835 153 L CB -0.083 41.946 42.059 -0.050 0.000 0.953 153 L HN 0.128 nan 8.230 nan 0.000 0.454 154 N N 1.103 119.680 118.700 -0.204 0.000 2.452 154 N HA -0.125 4.616 4.740 0.001 0.000 0.266 154 N C 0.517 175.916 175.510 -0.187 0.000 1.209 154 N CA 0.341 53.240 53.050 -0.252 0.000 0.929 154 N CB 1.413 39.644 38.487 -0.427 0.000 1.063 154 N HN 0.102 nan 8.380 nan 0.000 0.472 155 D N 3.435 123.763 120.400 -0.120 0.000 2.104 155 D HA -0.225 4.416 4.640 0.001 0.000 0.194 155 D C 1.939 178.204 176.300 -0.059 0.000 0.994 155 D CA 1.538 55.497 54.000 -0.069 0.000 0.830 155 D CB 0.185 40.963 40.800 -0.037 0.000 0.959 155 D HN 0.679 nan 8.370 nan 0.000 0.452 156 R N -0.045 120.405 120.500 -0.083 0.000 2.091 156 R HA -0.121 4.219 4.340 0.001 0.000 0.238 156 R C 2.079 178.345 176.300 -0.057 0.000 1.136 156 R CA 1.572 57.646 56.100 -0.044 0.000 0.959 156 R CB -0.729 29.538 30.300 -0.056 0.000 0.856 156 R HN 0.141 nan 8.270 nan 0.000 0.437 157 V N 1.185 120.930 119.914 -0.280 0.000 2.252 157 V HA -0.326 3.795 4.120 0.001 0.000 0.249 157 V C 2.439 178.580 176.094 0.078 0.000 1.056 157 V CA 2.381 64.475 62.300 -0.344 0.000 1.022 157 V CB -0.685 30.738 31.823 -0.667 0.000 0.641 157 V HN 0.499 nan 8.190 nan 0.000 0.445 158 Q N -0.646 119.207 119.800 0.088 0.000 2.061 158 Q HA -0.272 4.069 4.340 0.001 0.000 0.204 158 Q C 2.501 178.633 176.000 0.220 0.000 0.984 158 Q CA 2.114 58.038 55.803 0.203 0.000 0.846 158 Q CB -0.280 28.456 28.738 -0.004 0.000 0.902 158 Q HN 0.545 nan 8.270 nan 0.000 0.421 159 R N 0.797 121.380 120.500 0.139 0.000 2.062 159 R HA -0.142 4.199 4.340 0.001 0.000 0.231 159 R C 1.908 178.331 176.300 0.205 0.000 1.136 159 R CA 1.508 57.696 56.100 0.147 0.000 0.948 159 R CB 0.082 30.443 30.300 0.103 0.000 0.845 159 R HN 0.276 nan 8.270 nan 0.000 0.430 160 E N 0.397 120.742 120.200 0.241 0.000 2.150 160 E HA -0.169 4.182 4.350 0.001 0.000 0.193 160 E C 2.128 178.902 176.600 0.291 0.000 0.985 160 E CA 0.856 57.422 56.400 0.278 0.000 0.814 160 E CB 0.006 29.917 29.700 0.351 0.000 0.752 160 E HN 0.410 nan 8.360 nan 0.000 0.466 161 L N 0.942 122.355 121.223 0.317 0.000 2.072 161 L HA -0.152 4.189 4.340 0.001 0.000 0.205 161 L C 2.393 179.430 176.870 0.280 0.000 1.079 161 L CA 1.128 56.123 54.840 0.259 0.000 0.752 161 L CB -0.200 41.941 42.059 0.138 0.000 0.906 161 L HN 0.045 nan 8.230 nan 0.000 0.436 162 K N -0.094 120.492 120.400 0.310 0.000 2.097 162 K HA -0.239 4.082 4.320 0.001 0.000 0.205 162 K C 1.937 178.675 176.600 0.230 0.000 1.050 162 K CA 1.434 57.880 56.287 0.264 0.000 0.938 162 K CB -0.089 32.559 32.500 0.246 0.000 0.718 162 K HN 0.336 nan 8.250 nan 0.000 0.442 163 E N 0.389 120.739 120.200 0.251 0.000 2.077 163 E HA -0.233 4.118 4.350 0.001 0.000 0.193 163 E C 1.862 178.663 176.600 0.336 0.000 0.989 163 E CA 1.129 57.689 56.400 0.267 0.000 0.800 163 E CB -0.166 29.686 29.700 0.253 0.000 0.746 163 E HN 0.424 nan 8.360 nan 0.000 0.452 164 W N 1.345 122.705 121.300 0.101 0.000 2.381 164 W HA -0.105 4.556 4.660 0.002 0.000 0.301 164 W C 1.758 178.325 176.519 0.080 0.000 1.205 164 W CA 1.346 58.659 57.345 -0.054 0.000 1.285 164 W CB -0.402 28.813 29.460 -0.409 0.000 1.133 164 W HN 0.052 nan 8.180 nan 0.000 0.521 165 L N 0.378 121.499 121.223 -0.170 0.000 2.042 165 L HA -0.264 4.077 4.340 0.001 0.000 0.210 165 L C 2.559 179.466 176.870 0.061 0.000 1.076 165 L CA 1.475 56.055 54.840 -0.434 0.000 0.749 165 L CB -1.045 40.776 42.059 -0.397 0.000 0.893 165 L HN 0.051 nan 8.230 nan 0.000 0.432 166 L N -1.841 119.499 121.223 0.195 0.000 2.191 166 L HA -0.226 4.114 4.340 0.001 0.000 0.212 166 L C 2.352 179.382 176.870 0.267 0.000 1.103 166 L CA 1.229 56.222 54.840 0.254 0.000 0.769 166 L CB -0.531 41.667 42.059 0.231 0.000 0.908 166 L HN 0.437 nan 8.230 nan 0.000 0.438 167 W N 0.684 122.023 121.300 0.064 0.000 2.476 167 W HA -0.081 4.580 4.660 0.001 0.000 0.281 167 W C 2.101 178.645 176.519 0.041 0.000 1.230 167 W CA 0.810 58.211 57.345 0.094 0.000 1.287 167 W CB -0.011 29.584 29.460 0.225 0.000 1.108 167 W HN -0.067 nan 8.180 nan 0.000 0.567 168 L N 0.928 122.156 121.223 0.009 0.000 2.079 168 L HA -0.237 4.104 4.340 0.001 0.000 0.210 168 L C 2.423 179.326 176.870 0.055 0.000 1.081 168 L CA 1.665 56.450 54.840 -0.093 0.000 0.752 168 L CB -0.754 41.242 42.059 -0.105 0.000 0.896 168 L HN -0.020 nan 8.230 nan 0.000 0.433 169 K N -0.196 120.285 120.400 0.135 0.000 2.007 169 K HA -0.100 4.221 4.320 0.001 0.000 0.206 169 K C 2.399 178.984 176.600 -0.025 0.000 1.047 169 K CA 1.619 57.952 56.287 0.077 0.000 0.937 169 K CB -0.254 32.301 32.500 0.091 0.000 0.718 169 K HN 0.330 nan 8.250 nan 0.000 0.438 170 S N 1.368 117.052 115.700 -0.027 0.000 2.368 170 S HA -0.137 4.334 4.470 0.001 0.000 0.224 170 S C 1.446 175.947 174.600 -0.165 0.000 1.029 170 S CA 1.627 59.794 58.200 -0.054 0.000 0.988 170 S CB -0.233 62.988 63.200 0.035 0.000 0.838 170 S HN 0.157 nan 8.310 nan 0.000 0.462 171 D N 0.495 120.658 120.400 -0.395 0.000 2.346 171 D HA 0.314 4.955 4.640 0.001 0.000 0.206 171 D C 1.550 177.567 176.300 -0.471 0.000 1.001 171 D CA 0.428 54.122 54.000 -0.510 0.000 0.871 171 D CB 0.190 40.413 40.800 -0.962 0.000 0.943 171 D HN 0.389 nan 8.370 nan 0.000 0.518 172 L N -2.042 118.906 121.223 -0.458 0.000 2.717 172 L HA 0.354 4.695 4.340 0.001 0.000 0.239 172 L C 1.346 177.984 176.870 -0.387 0.000 1.086 172 L CA 0.356 54.959 54.840 -0.396 0.000 0.897 172 L CB 0.609 42.451 42.059 -0.362 0.000 1.214 172 L HN 0.113 nan 8.230 nan 0.000 0.508 173 G N 0.314 108.960 108.800 -0.258 0.000 2.144 173 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 173 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 173 G C 0.028 174.850 174.900 -0.130 0.000 0.988 173 G CA -0.545 44.460 45.100 -0.158 0.000 0.659 173 G HN 0.059 nan 8.290 nan 0.000 0.522 174 F N 1.342 121.240 119.950 -0.086 0.000 2.506 174 F HA 0.354 4.881 4.527 0.001 0.000 0.351 174 F C 1.488 177.188 175.800 -0.166 0.000 1.136 174 F CA 0.460 58.405 58.000 -0.091 0.000 1.298 174 F CB 0.697 39.672 39.000 -0.043 0.000 1.145 174 F HN 0.053 nan 8.300 nan 0.000 0.593 175 D N 0.983 121.412 120.400 0.049 0.000 2.422 175 D HA 0.304 4.945 4.640 0.001 0.000 0.218 175 D C 0.327 176.413 176.300 -0.358 0.000 1.047 175 D CA 0.507 54.434 54.000 -0.121 0.000 0.885 175 D CB 0.696 41.489 40.800 -0.010 0.000 1.035 175 D HN 0.432 nan 8.370 nan 0.000 0.502 176 A N 0.050 122.621 122.820 -0.414 0.000 2.568 176 A HA 0.621 4.942 4.320 0.001 0.000 0.291 176 A C -2.024 175.267 177.584 -0.488 0.000 1.159 176 A CA -0.864 50.825 52.037 -0.580 0.000 0.679 176 A CB 0.919 19.806 19.000 -0.189 0.000 1.285 176 A HN 0.107 nan 8.150 nan 0.000 0.428 177 W N -0.165 121.111 121.300 -0.040 0.000 2.864 177 W HA 0.771 5.432 4.660 0.001 0.000 0.343 177 W C 0.238 176.672 176.519 -0.142 0.000 1.109 177 W CA -0.753 56.537 57.345 -0.091 0.000 1.192 177 W CB 1.432 30.854 29.460 -0.064 0.000 1.426 177 W HN 0.634 nan 8.180 nan 0.000 0.529 178 R N 2.772 123.328 120.500 0.094 0.000 2.409 178 R HA 0.430 4.771 4.340 0.001 0.000 0.313 178 R C -1.555 174.769 176.300 0.039 0.000 0.953 178 R CA -0.565 55.456 56.100 -0.131 0.000 0.849 178 R CB 0.913 30.926 30.300 -0.479 0.000 1.171 178 R HN 0.758 nan 8.270 nan 0.000 0.458 179 L N 4.345 125.591 121.223 0.038 0.000 2.268 179 L HA 0.227 4.568 4.340 0.001 0.000 0.289 179 L C 0.374 177.339 176.870 0.157 0.000 1.064 179 L CA -0.658 54.255 54.840 0.121 0.000 0.824 179 L CB 0.919 43.064 42.059 0.143 0.000 1.202 179 L HN 0.569 nan 8.230 nan 0.000 0.433 180 D N 2.978 123.528 120.400 0.249 0.000 2.399 180 D HA -0.020 4.621 4.640 0.001 0.000 0.241 180 D C 0.472 176.983 176.300 0.351 0.000 1.133 180 D CA -0.089 54.114 54.000 0.339 0.000 0.890 180 D CB 0.474 41.531 40.800 0.427 0.000 1.201 180 D HN 0.312 nan 8.370 nan 0.000 0.432 181 F N 2.448 122.487 119.950 0.149 0.000 2.783 181 F HA -0.322 4.206 4.527 0.002 0.000 0.222 181 F C 0.944 176.721 175.800 -0.040 0.000 1.028 181 F CA 0.490 58.550 58.000 0.100 0.000 0.862 181 F CB -1.284 37.825 39.000 0.183 0.000 0.744 181 F HN 0.475 nan 8.300 nan 0.000 0.850 182 A N 1.482 124.182 122.820 -0.200 0.000 2.125 182 A HA -0.135 4.185 4.320 0.001 0.000 0.219 182 A C 2.267 179.485 177.584 -0.611 0.000 1.156 182 A CA 1.244 52.957 52.037 -0.540 0.000 0.671 182 A CB -0.253 18.480 19.000 -0.445 0.000 0.794 182 A HN 0.457 nan 8.150 nan 0.000 0.459 183 R N -0.336 119.835 120.500 -0.549 0.000 2.235 183 R HA -0.068 4.273 4.340 0.001 0.000 0.213 183 R C 2.168 178.050 176.300 -0.696 0.000 1.059 183 R CA 0.893 56.710 56.100 -0.471 0.000 0.997 183 R CB -1.104 29.016 30.300 -0.300 0.000 0.884 183 R HN 0.539 nan 8.270 nan 0.000 0.462 184 G N 0.203 108.261 108.800 -1.237 0.000 2.432 184 G HA2 -0.206 3.755 3.960 0.001 0.000 0.219 184 G HA3 -0.206 3.755 3.960 0.001 0.000 0.219 184 G C 0.325 175.161 174.900 -0.108 0.000 1.135 184 G CA 1.009 45.611 45.100 -0.829 0.000 0.767 184 G HN 0.394 nan 8.290 nan 0.000 0.550 185 Y N -1.109 119.127 120.300 -0.108 0.000 2.609 185 Y HA 0.684 5.235 4.550 0.001 0.000 0.342 185 Y C 0.069 175.994 175.900 0.042 0.000 1.058 185 Y CA -1.735 56.372 58.100 0.011 0.000 1.055 185 Y CB 0.566 39.033 38.460 0.012 0.000 1.292 185 Y HN 0.023 nan 8.280 nan 0.000 0.476 186 S N 0.848 116.668 115.700 0.200 0.000 2.585 186 S HA 0.231 4.702 4.470 0.001 0.000 0.273 186 S C -1.906 172.724 174.600 0.051 0.000 1.339 186 S CA -0.929 57.324 58.200 0.089 0.000 1.028 186 S CB 1.070 64.299 63.200 0.049 0.000 0.906 186 S HN 0.674 nan 8.310 nan 0.000 0.528 187 P HA -0.113 nan 4.420 nan 0.000 0.219 187 P C 0.830 177.942 177.300 -0.314 0.000 1.146 187 P CA 1.200 63.976 63.100 -0.540 0.000 0.808 187 P CB 0.025 31.062 31.700 -1.105 0.000 0.779 188 E N -0.813 119.281 120.200 -0.177 0.000 2.110 188 E HA -0.117 4.234 4.350 0.001 0.000 0.193 188 E C 2.162 178.710 176.600 -0.087 0.000 0.988 188 E CA 1.315 57.639 56.400 -0.127 0.000 0.804 188 E CB -0.627 29.023 29.700 -0.083 0.000 0.745 188 E HN 0.148 nan 8.360 nan 0.000 0.458 189 M N -0.220 119.381 119.600 0.002 0.000 2.200 189 M HA 0.071 4.551 4.480 0.001 0.000 0.265 189 M C 2.299 178.618 176.300 0.032 0.000 1.066 189 M CA 1.189 56.489 55.300 -0.000 0.000 1.127 189 M CB -0.995 31.684 32.600 0.133 0.000 1.379 189 M HN 0.165 nan 8.290 nan 0.000 0.420 190 A N 0.557 123.518 122.820 0.236 0.000 1.883 190 A HA -0.230 4.091 4.320 0.001 0.000 0.217 190 A C 2.322 179.971 177.584 0.108 0.000 1.186 190 A CA 2.170 54.415 52.037 0.345 0.000 0.624 190 A CB -0.773 18.449 19.000 0.370 0.000 0.822 190 A HN 0.494 nan 8.150 nan 0.000 0.444 191 K N -0.357 120.004 120.400 -0.064 0.000 2.089 191 K HA -0.158 4.162 4.320 0.001 0.000 0.210 191 K C 1.808 178.348 176.600 -0.099 0.000 1.048 191 K CA 1.795 58.024 56.287 -0.096 0.000 0.926 191 K CB -0.339 32.073 32.500 -0.148 0.000 0.714 191 K HN 0.261 nan 8.250 nan 0.000 0.448 192 V N 0.522 120.309 119.914 -0.212 0.000 2.287 192 V HA -0.260 3.861 4.120 0.001 0.000 0.248 192 V C 1.983 177.894 176.094 -0.306 0.000 1.053 192 V CA 1.812 63.911 62.300 -0.334 0.000 1.027 192 V CB -0.615 30.843 31.823 -0.608 0.000 0.646 192 V HN 0.310 nan 8.190 nan 0.000 0.447 193 Y N -0.612 119.692 120.300 0.007 0.000 2.286 193 Y HA 0.001 4.552 4.550 0.002 0.000 0.293 193 Y C 2.202 178.159 175.900 0.094 0.000 1.124 193 Y CA 0.887 58.996 58.100 0.014 0.000 1.178 193 Y CB -0.568 37.853 38.460 -0.064 0.000 1.010 193 Y HN 0.155 nan 8.280 nan 0.000 0.536 194 I N -0.099 120.616 120.570 0.241 0.000 2.163 194 I HA -0.276 3.895 4.170 0.001 0.000 0.240 194 I C 1.866 178.083 176.117 0.167 0.000 1.081 194 I CA 1.544 62.996 61.300 0.252 0.000 1.353 194 I CB -0.352 37.764 38.000 0.192 0.000 1.054 194 I HN 0.103 nan 8.210 nan 0.000 0.407 195 D N 1.005 121.453 120.400 0.080 0.000 2.149 195 D HA -0.146 4.495 4.640 0.001 0.000 0.198 195 D C 2.105 178.447 176.300 0.070 0.000 0.990 195 D CA 1.543 55.573 54.000 0.050 0.000 0.839 195 D CB -0.515 40.287 40.800 0.002 0.000 0.948 195 D HN 0.415 nan 8.370 nan 0.000 0.460 196 G N -0.419 108.430 108.800 0.082 0.000 2.679 196 G HA2 -0.099 3.862 3.960 0.001 0.000 0.212 196 G HA3 -0.099 3.862 3.960 0.001 0.000 0.212 196 G C 1.151 176.149 174.900 0.163 0.000 1.137 196 G CA 1.337 46.498 45.100 0.103 0.000 0.787 196 G HN 0.411 nan 8.290 nan 0.000 0.534 197 T N -4.017 110.669 114.554 0.220 0.000 3.192 197 T HA 0.259 4.610 4.350 0.001 0.000 0.295 197 T C 0.906 175.733 174.700 0.211 0.000 0.947 197 T CA 0.606 62.876 62.100 0.282 0.000 0.916 197 T CB -0.051 69.115 68.868 0.497 0.000 1.169 197 T HN 0.121 nan 8.240 nan 0.000 0.540 198 S N 3.229 119.011 115.700 0.137 0.000 3.317 198 S HA -0.093 4.377 4.470 0.001 0.000 0.358 198 S C -1.908 172.678 174.600 -0.023 0.000 0.945 198 S CA 0.559 58.793 58.200 0.056 0.000 1.279 198 S CB -1.388 61.834 63.200 0.036 0.000 0.905 198 S HN 0.701 nan 8.310 nan 0.000 0.507 199 P HA 0.244 nan 4.420 nan 0.000 0.274 199 P C 0.998 178.184 177.300 -0.190 0.000 1.237 199 P CA -0.367 62.530 63.100 -0.338 0.000 0.793 199 P CB 0.896 32.175 31.700 -0.702 0.000 0.977 200 S N 1.485 117.075 115.700 -0.183 0.000 2.447 200 S HA -0.017 4.453 4.470 0.001 0.000 0.233 200 S C 0.886 175.433 174.600 -0.088 0.000 1.006 200 S CA 0.685 58.837 58.200 -0.081 0.000 0.957 200 S CB -1.009 62.188 63.200 -0.005 0.000 0.773 200 S HN 0.527 nan 8.310 nan 0.000 0.507 201 L N -3.569 117.572 121.223 -0.137 0.000 2.710 201 L HA 0.896 5.237 4.340 0.001 0.000 0.260 201 L C -1.157 175.641 176.870 -0.120 0.000 0.993 201 L CA -1.001 53.758 54.840 -0.136 0.000 0.877 201 L CB 1.380 43.320 42.059 -0.199 0.000 1.461 201 L HN -0.037 nan 8.230 nan 0.000 0.413 202 A N 1.359 124.142 122.820 -0.062 0.000 2.702 202 A HA 0.676 4.996 4.320 0.001 0.000 0.305 202 A C -0.982 176.557 177.584 -0.075 0.000 1.213 202 A CA -0.521 51.538 52.037 0.037 0.000 0.745 202 A CB 1.100 20.224 19.000 0.206 0.000 1.161 202 A HN 1.045 nan 8.150 nan 0.000 0.445 203 V N 2.881 122.650 119.914 -0.242 0.000 2.432 203 V HA 0.660 4.781 4.120 0.001 0.000 0.271 203 V C 0.493 176.281 176.094 -0.510 0.000 1.046 203 V CA 0.278 62.272 62.300 -0.509 0.000 0.945 203 V CB 1.000 32.305 31.823 -0.864 0.000 0.992 203 V HN 1.193 nan 8.190 nan 0.000 0.471 204 A N 5.376 127.886 122.820 -0.517 0.000 2.305 204 A HA 0.546 4.867 4.320 0.001 0.000 0.322 204 A C 0.052 177.452 177.584 -0.306 0.000 1.187 204 A CA -0.603 51.168 52.037 -0.443 0.000 0.825 204 A CB 0.789 19.288 19.000 -0.835 0.000 1.164 204 A HN 0.878 nan 8.150 nan 0.000 0.498 205 E N 2.576 122.766 120.200 -0.015 0.000 1.963 205 E HA 0.387 4.738 4.350 0.001 0.000 0.274 205 E C -1.348 175.296 176.600 0.073 0.000 1.061 205 E CA -0.138 56.438 56.400 0.294 0.000 0.847 205 E CB 0.376 30.308 29.700 0.387 0.000 1.083 205 E HN 0.340 nan 8.360 nan 0.000 0.402 206 V N 6.414 126.321 119.914 -0.011 0.000 2.257 206 V HA 0.168 4.289 4.120 0.001 0.000 0.269 206 V C -0.731 175.339 176.094 -0.040 0.000 1.040 206 V CA -0.830 61.370 62.300 -0.167 0.000 0.813 206 V CB 0.224 31.782 31.823 -0.442 0.000 1.065 206 V HN 0.581 nan 8.190 nan 0.000 0.457 207 W N 5.310 126.411 121.300 -0.333 0.000 2.296 207 W HA 0.592 5.253 4.660 0.001 0.000 0.316 207 W C -0.677 175.633 176.519 -0.347 0.000 1.022 207 W CA -1.139 55.831 57.345 -0.625 0.000 1.324 207 W CB 0.978 29.910 29.460 -0.880 0.000 1.227 207 W HN 0.477 nan 8.180 nan 0.000 0.409 208 D N 3.086 123.530 120.400 0.073 0.000 2.299 208 D HA 0.167 4.808 4.640 0.001 0.000 0.243 208 D C -0.460 175.904 176.300 0.107 0.000 0.982 208 D CA -0.685 53.296 54.000 -0.032 0.000 0.924 208 D CB 1.360 42.086 40.800 -0.124 0.000 1.238 208 D HN 0.242 nan 8.370 nan 0.000 0.484 209 N N 0.046 118.734 118.700 -0.020 0.000 2.453 209 N HA 0.139 4.879 4.740 0.001 0.000 0.253 209 N C -0.138 175.485 175.510 0.188 0.000 1.252 209 N CA -0.059 52.986 53.050 -0.008 0.000 0.917 209 N CB 0.727 39.146 38.487 -0.115 0.000 1.117 209 N HN 0.273 nan 8.380 nan 0.000 0.442 210 M N 2.357 122.037 119.600 0.133 0.000 2.180 210 M HA 0.344 4.824 4.480 0.001 0.000 0.358 210 M C -0.464 175.894 176.300 0.098 0.000 1.233 210 M CA -0.430 54.965 55.300 0.158 0.000 1.114 210 M CB 0.842 33.525 32.600 0.137 0.000 1.594 210 M HN 0.569 nan 8.290 nan 0.000 0.467 211 A N 3.996 126.879 122.820 0.105 0.000 2.526 211 A HA 0.349 4.670 4.320 0.001 0.000 0.267 211 A C 0.364 177.983 177.584 0.058 0.000 1.095 211 A CA 0.461 52.541 52.037 0.072 0.000 0.775 211 A CB -0.816 18.229 19.000 0.076 0.000 1.036 211 A HN 0.893 nan 8.150 nan 0.000 0.510 212 T N 0.471 115.052 114.554 0.045 0.000 2.819 212 T HA 0.861 5.211 4.350 0.001 0.000 0.271 212 T C 0.075 174.801 174.700 0.043 0.000 0.986 212 T CA -0.254 61.873 62.100 0.045 0.000 0.989 212 T CB 1.880 70.767 68.868 0.032 0.000 1.396 212 T HN 1.947 nan 8.240 nan 0.000 0.597 213 G N -1.951 106.874 108.800 0.041 0.000 2.617 213 G HA2 0.565 4.526 3.960 0.001 0.000 0.305 213 G HA3 0.565 4.526 3.960 0.001 0.000 0.305 213 G C 0.413 175.334 174.900 0.036 0.000 1.436 213 G CA 0.224 45.347 45.100 0.039 0.000 1.036 213 G HN 1.775 nan 8.290 nan 0.000 0.589 214 G N 3.395 112.211 108.800 0.027 0.000 3.729 214 G HA2 -0.381 3.579 3.960 0.001 0.000 0.327 214 G HA3 -0.381 3.579 3.960 0.001 0.000 0.327 214 G C 1.279 176.191 174.900 0.021 0.000 1.293 214 G CA 1.810 46.923 45.100 0.023 0.000 1.011 214 G HN 1.623 nan 8.290 nan 0.000 0.673 215 D N 0.410 120.825 120.400 0.026 0.000 2.117 215 D HA 0.351 4.992 4.640 0.001 0.000 0.198 215 D C 2.027 178.340 176.300 0.022 0.000 0.982 215 D CA 2.540 56.554 54.000 0.024 0.000 0.828 215 D CB -0.578 40.240 40.800 0.029 0.000 0.967 215 D HN 1.983 nan 8.370 nan 0.000 0.464 216 G N -0.880 107.937 108.800 0.028 0.000 2.738 216 G HA2 -0.186 3.775 3.960 0.001 0.000 0.195 216 G HA3 -0.186 3.775 3.960 0.001 0.000 0.195 216 G C 0.073 174.997 174.900 0.040 0.000 1.001 216 G CA -0.300 44.817 45.100 0.027 0.000 0.759 216 G HN 0.297 nan 8.290 nan 0.000 0.494 217 K N 2.171 122.596 120.400 0.041 0.000 2.440 217 K HA 0.343 4.664 4.320 0.001 0.000 0.270 217 K C -2.111 174.521 176.600 0.053 0.000 0.980 217 K CA -0.620 55.692 56.287 0.042 0.000 0.953 217 K CB 0.717 33.242 32.500 0.042 0.000 0.925 217 K HN 0.191 nan 8.250 nan 0.000 0.497 218 P HA 0.047 nan 4.420 nan 0.000 0.278 218 P C -0.979 176.357 177.300 0.060 0.000 1.238 218 P CA -0.474 62.657 63.100 0.052 0.000 0.794 218 P CB 0.630 32.355 31.700 0.042 0.000 0.955 219 N N 1.059 119.802 118.700 0.072 0.000 2.381 219 N HA -0.070 4.671 4.740 0.001 0.000 0.241 219 N C 1.006 176.591 175.510 0.126 0.000 1.279 219 N CA -0.065 53.055 53.050 0.116 0.000 0.896 219 N CB -0.141 38.408 38.487 0.104 0.000 1.118 219 N HN 0.540 nan 8.380 nan 0.000 0.438 220 Y N 0.649 121.007 120.300 0.097 0.000 2.242 220 Y HA -0.101 4.450 4.550 0.002 0.000 0.291 220 Y C 0.448 176.383 175.900 0.059 0.000 1.137 220 Y CA 0.985 59.155 58.100 0.116 0.000 1.181 220 Y CB -0.087 38.524 38.460 0.251 0.000 0.989 220 Y HN 0.584 nan 8.280 nan 0.000 0.527 221 D N 0.338 120.730 120.400 -0.014 0.000 2.308 221 D HA 0.125 4.766 4.640 0.001 0.000 0.251 221 D C -0.113 176.126 176.300 -0.103 0.000 1.127 221 D CA 0.024 53.948 54.000 -0.126 0.000 0.876 221 D CB 0.627 41.465 40.800 0.063 0.000 1.176 221 D HN 0.168 nan 8.370 nan 0.000 0.446 222 Q N 2.570 122.271 119.800 -0.166 0.000 2.055 222 Q HA 0.084 4.425 4.340 0.001 0.000 0.226 222 Q C -0.098 175.847 176.000 -0.090 0.000 0.805 222 Q CA -0.183 55.561 55.803 -0.099 0.000 1.072 222 Q CB 0.912 29.554 28.738 -0.160 0.000 1.219 222 Q HN 0.565 nan 8.270 nan 0.000 0.451 223 D N 1.018 121.364 120.400 -0.089 0.000 2.144 223 D HA -0.111 4.530 4.640 0.001 0.000 0.199 223 D C 1.693 178.058 176.300 0.108 0.000 0.984 223 D CA 1.350 55.309 54.000 -0.068 0.000 0.834 223 D CB 0.254 41.148 40.800 0.157 0.000 0.955 223 D HN 0.318 nan 8.370 nan 0.000 0.465 224 A N 0.567 123.462 122.820 0.125 0.000 1.858 224 A HA -0.249 4.072 4.320 0.001 0.000 0.216 224 A C 2.133 179.807 177.584 0.150 0.000 1.190 224 A CA 1.697 53.821 52.037 0.145 0.000 0.617 224 A CB -0.905 18.166 19.000 0.118 0.000 0.827 224 A HN 0.336 nan 8.150 nan 0.000 0.443 225 H N 0.991 120.093 119.070 0.053 0.000 2.290 225 H HA -0.159 4.398 4.556 0.001 0.000 0.298 225 H C 2.284 177.658 175.328 0.076 0.000 1.087 225 H CA 2.174 58.261 56.048 0.065 0.000 1.291 225 H CB -0.075 29.721 29.762 0.056 0.000 1.369 225 H HN 0.644 nan 8.280 nan 0.000 0.492 226 R N 0.542 121.156 120.500 0.189 0.000 2.193 226 R HA -0.037 4.304 4.340 0.001 0.000 0.213 226 R C 2.367 178.827 176.300 0.266 0.000 1.055 226 R CA 1.119 57.304 56.100 0.141 0.000 0.995 226 R CB -0.422 29.812 30.300 -0.109 0.000 0.893 226 R HN 0.355 nan 8.270 nan 0.000 0.459 227 Q N 1.545 121.548 119.800 0.338 0.000 2.084 227 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 227 Q C 1.374 177.544 176.000 0.284 0.000 0.978 227 Q CA 1.890 57.962 55.803 0.449 0.000 0.844 227 Q CB -0.093 28.869 28.738 0.374 0.000 0.898 227 Q HN 0.620 nan 8.270 nan 0.000 0.426 228 N N -0.208 118.605 118.700 0.187 0.000 2.069 228 N HA -0.171 4.570 4.740 0.001 0.000 0.191 228 N C 1.909 177.529 175.510 0.183 0.000 1.031 228 N CA 1.166 54.297 53.050 0.136 0.000 0.852 228 N CB -0.054 38.451 38.487 0.031 0.000 1.018 228 N HN 0.220 nan 8.380 nan 0.000 0.423 229 L N 0.380 121.706 121.223 0.171 0.000 2.056 229 L HA -0.113 4.228 4.340 0.001 0.000 0.207 229 L C 2.303 179.354 176.870 0.303 0.000 1.078 229 L CA 0.665 55.623 54.840 0.198 0.000 0.749 229 L CB -0.380 41.776 42.059 0.162 0.000 0.901 229 L HN 0.048 nan 8.230 nan 0.000 0.433 230 V N 0.387 120.517 119.914 0.359 0.000 2.343 230 V HA -0.333 3.788 4.120 0.001 0.000 0.247 230 V C 2.350 178.688 176.094 0.407 0.000 1.051 230 V CA 2.188 64.771 62.300 0.472 0.000 1.036 230 V CB -0.717 31.429 31.823 0.537 0.000 0.654 230 V HN 0.594 nan 8.190 nan 0.000 0.451 231 N N -1.320 117.566 118.700 0.310 0.000 2.166 231 N HA -0.260 4.481 4.740 0.001 0.000 0.186 231 N C 1.894 177.528 175.510 0.207 0.000 1.019 231 N CA 1.908 55.095 53.050 0.227 0.000 0.856 231 N CB -0.203 38.385 38.487 0.168 0.000 0.993 231 N HN 0.664 nan 8.380 nan 0.000 0.426 232 W N 1.727 123.066 121.300 0.065 0.000 2.335 232 W HA -0.190 4.472 4.660 0.002 0.000 0.311 232 W C 2.195 178.710 176.519 -0.007 0.000 1.213 232 W CA 1.411 58.765 57.345 0.015 0.000 1.274 232 W CB -0.451 29.004 29.460 -0.009 0.000 1.148 232 W HN -0.163 nan 8.180 nan 0.000 0.498 233 V N 0.870 120.979 119.914 0.325 0.000 2.343 233 V HA -0.328 3.793 4.120 0.001 0.000 0.247 233 V C 2.084 178.138 176.094 -0.066 0.000 1.051 233 V CA 2.331 64.658 62.300 0.046 0.000 1.036 233 V CB -0.997 30.677 31.823 -0.248 0.000 0.654 233 V HN 0.145 nan 8.190 nan 0.000 0.451 234 D N 0.218 120.698 120.400 0.133 0.000 2.123 234 D HA -0.178 4.463 4.640 0.001 0.000 0.196 234 D C 2.241 178.532 176.300 -0.015 0.000 0.992 234 D CA 1.381 55.478 54.000 0.162 0.000 0.833 234 D CB -0.146 40.776 40.800 0.203 0.000 0.954 234 D HN 0.448 nan 8.370 nan 0.000 0.455 235 K N 0.224 120.555 120.400 -0.114 0.000 2.217 235 K HA -0.017 4.304 4.320 0.001 0.000 0.202 235 K C 1.868 178.284 176.600 -0.307 0.000 1.051 235 K CA 0.106 56.276 56.287 -0.195 0.000 0.952 235 K CB 0.187 32.556 32.500 -0.220 0.000 0.736 235 K HN -0.046 nan 8.250 nan 0.000 0.453 236 V N -0.038 119.597 119.914 -0.464 0.000 3.573 236 V HA 0.030 4.150 4.120 0.001 0.000 0.270 236 V C 1.024 176.975 176.094 -0.238 0.000 1.221 236 V CA 1.471 63.481 62.300 -0.483 0.000 1.163 236 V CB 0.381 31.713 31.823 -0.819 0.000 0.847 236 V HN 0.643 nan 8.190 nan 0.000 0.468 237 G N -2.258 106.449 108.800 -0.156 0.000 2.273 237 G HA2 0.063 4.024 3.960 0.001 0.000 0.162 237 G HA3 0.063 4.024 3.960 0.001 0.000 0.162 237 G C 0.927 175.826 174.900 -0.002 0.000 1.006 237 G CA 0.224 45.284 45.100 -0.067 0.000 0.704 237 G HN 1.424 nan 8.290 nan 0.000 0.487 238 G N 0.523 109.327 108.800 0.006 0.000 2.611 238 G HA2 0.075 4.035 3.960 0.001 0.000 0.301 238 G HA3 0.075 4.035 3.960 0.001 0.000 0.301 238 G C 1.580 176.541 174.900 0.101 0.000 1.233 238 G CA 2.477 47.667 45.100 0.151 0.000 0.993 238 G HN 1.870 nan 8.290 nan 0.000 0.553 239 A N -0.457 122.532 122.820 0.280 0.000 2.015 239 A HA 0.414 4.734 4.320 0.001 0.000 0.219 239 A C 2.839 180.479 177.584 0.093 0.000 1.163 239 A CA 2.813 54.976 52.037 0.210 0.000 0.646 239 A CB -0.730 18.418 19.000 0.247 0.000 0.806 239 A HN 2.177 nan 8.150 nan 0.000 0.448 240 A N -0.851 122.011 122.820 0.070 0.000 2.119 240 A HA 0.239 4.560 4.320 0.001 0.000 0.216 240 A C 1.537 179.130 177.584 0.016 0.000 1.152 240 A CA 1.003 53.063 52.037 0.038 0.000 0.708 240 A CB -0.378 18.640 19.000 0.030 0.000 0.805 240 A HN 0.470 nan 8.150 nan 0.000 0.460 241 S N -1.490 114.210 115.700 0.000 0.000 2.616 241 S HA 0.536 5.007 4.470 0.001 0.000 0.277 241 S C 1.062 175.648 174.600 -0.023 0.000 1.234 241 S CA -0.040 58.150 58.200 -0.017 0.000 1.028 241 S CB 1.410 64.584 63.200 -0.044 0.000 0.988 241 S HN 0.674 nan 8.310 nan 0.000 0.522 242 A N 3.238 126.053 122.820 -0.009 0.000 2.167 242 A HA 0.337 4.658 4.320 0.001 0.000 0.214 242 A C 1.188 178.759 177.584 -0.022 0.000 1.151 242 A CA 0.515 52.541 52.037 -0.019 0.000 0.735 242 A CB -1.040 17.955 19.000 -0.007 0.000 0.802 242 A HN 0.968 nan 8.150 nan 0.000 0.467 243 G N 0.199 109.004 108.800 0.007 0.000 2.441 243 G HA2 0.460 4.421 3.960 0.001 0.000 0.243 243 G HA3 0.460 4.421 3.960 0.001 0.000 0.243 243 G C -0.172 174.728 174.900 0.001 0.000 1.281 243 G CA 0.399 45.541 45.100 0.070 0.000 0.854 243 G HN 0.723 nan 8.290 nan 0.000 0.560 244 M N 0.348 119.947 119.600 -0.002 0.000 3.008 244 M HA 0.744 5.225 4.480 0.001 0.000 0.271 244 M C -1.046 175.110 176.300 -0.239 0.000 1.265 244 M CA -1.149 54.066 55.300 -0.141 0.000 0.817 244 M CB 2.015 34.486 32.600 -0.215 0.000 1.638 244 M HN 0.748 nan 8.290 nan 0.000 0.479 245 V N -1.563 118.191 119.914 -0.267 0.000 3.040 245 V HA 0.693 4.814 4.120 0.001 0.000 0.312 245 V C -1.088 174.848 176.094 -0.264 0.000 1.115 245 V CA -0.758 61.347 62.300 -0.326 0.000 0.998 245 V CB 1.907 33.610 31.823 -0.200 0.000 1.042 245 V HN 0.781 nan 8.190 nan 0.000 0.433 246 F N 1.526 121.414 119.950 -0.103 0.000 2.495 246 F HA 0.338 4.867 4.527 0.003 0.000 0.365 246 F C 1.019 176.835 175.800 0.026 0.000 1.090 246 F CA 0.035 57.972 58.000 -0.105 0.000 1.235 246 F CB 0.463 39.263 39.000 -0.333 0.000 1.119 246 F HN 0.706 nan 8.300 nan 0.000 0.562 247 D N 3.813 124.350 120.400 0.228 0.000 2.551 247 D HA 0.016 4.656 4.640 0.001 0.000 0.223 247 D C 0.866 177.194 176.300 0.046 0.000 1.144 247 D CA 0.230 54.307 54.000 0.128 0.000 1.025 247 D CB -0.454 40.374 40.800 0.046 0.000 1.085 247 D HN 0.342 nan 8.370 nan 0.000 0.506 248 F N 0.442 120.496 119.950 0.173 0.000 2.407 248 F HA -0.100 4.428 4.527 0.001 0.000 0.299 248 F C 2.410 178.197 175.800 -0.021 0.000 1.097 248 F CA 0.734 58.796 58.000 0.103 0.000 1.422 248 F CB -0.019 39.125 39.000 0.241 0.000 1.067 248 F HN 0.222 nan 8.300 nan 0.000 0.539 249 T N -1.561 113.102 114.554 0.181 0.000 2.701 249 T HA -0.171 4.180 4.350 0.001 0.000 0.263 249 T C 2.067 176.641 174.700 -0.210 0.000 1.040 249 T CA 1.959 63.991 62.100 -0.113 0.000 1.147 249 T CB -0.687 68.197 68.868 0.027 0.000 0.865 249 T HN 0.170 nan 8.240 nan 0.000 0.426 250 T N 1.739 116.181 114.554 -0.186 0.000 2.788 250 T HA -0.110 4.241 4.350 0.001 0.000 0.268 250 T C 2.040 176.490 174.700 -0.417 0.000 1.044 250 T CA 1.524 63.469 62.100 -0.259 0.000 1.139 250 T CB -0.245 68.523 68.868 -0.166 0.000 0.867 250 T HN 0.305 nan 8.240 nan 0.000 0.454 251 K N 1.496 121.570 120.400 -0.543 0.000 2.032 251 K HA -0.026 4.295 4.320 0.001 0.000 0.209 251 K C 2.338 178.460 176.600 -0.797 0.000 1.048 251 K CA 1.999 57.797 56.287 -0.815 0.000 0.927 251 K CB -1.116 30.716 32.500 -1.114 0.000 0.712 251 K HN 0.287 nan 8.250 nan 0.000 0.441 252 G N 0.757 109.162 108.800 -0.658 0.000 2.402 252 G HA2 -0.164 3.796 3.960 0.001 0.000 0.216 252 G HA3 -0.164 3.796 3.960 0.001 0.000 0.216 252 G C 1.670 176.323 174.900 -0.412 0.000 1.162 252 G CA 1.048 45.807 45.100 -0.569 0.000 0.777 252 G HN 0.346 nan 8.290 nan 0.000 0.539 253 I N -0.159 120.189 120.570 -0.371 0.000 2.252 253 I HA -0.089 4.082 4.170 0.001 0.000 0.245 253 I C 2.546 178.400 176.117 -0.439 0.000 1.102 253 I CA 0.470 61.555 61.300 -0.358 0.000 1.385 253 I CB -0.145 37.651 38.000 -0.339 0.000 1.064 253 I HN 0.119 nan 8.210 nan 0.000 0.414 254 L N 0.964 121.891 121.223 -0.493 0.000 2.109 254 L HA -0.142 4.199 4.340 0.001 0.000 0.207 254 L C 2.040 178.576 176.870 -0.556 0.000 1.086 254 L CA 1.673 56.204 54.840 -0.514 0.000 0.760 254 L CB -0.880 40.901 42.059 -0.464 0.000 0.910 254 L HN 0.150 nan 8.230 nan 0.000 0.437 255 N N -0.364 117.962 118.700 -0.625 0.000 2.094 255 N HA -0.189 4.551 4.740 0.001 0.000 0.191 255 N C 1.713 176.849 175.510 -0.623 0.000 1.023 255 N CA 1.743 54.320 53.050 -0.789 0.000 0.857 255 N CB -0.195 37.832 38.487 -0.766 0.000 1.013 255 N HN 0.494 nan 8.380 nan 0.000 0.426 256 A N -0.350 122.193 122.820 -0.461 0.000 1.943 256 A HA 0.349 4.670 4.320 0.001 0.000 0.213 256 A C 2.186 179.537 177.584 -0.390 0.000 1.181 256 A CA 1.142 52.966 52.037 -0.355 0.000 0.653 256 A CB -0.687 18.158 19.000 -0.259 0.000 0.833 256 A HN 0.286 nan 8.150 nan 0.000 0.451 257 A N 0.327 122.879 122.820 -0.447 0.000 1.972 257 A HA -0.033 4.288 4.320 0.001 0.000 0.219 257 A C 2.185 179.538 177.584 -0.385 0.000 1.169 257 A CA 2.014 53.768 52.037 -0.471 0.000 0.635 257 A CB -1.139 17.560 19.000 -0.501 0.000 0.810 257 A HN 1.079 nan 8.150 nan 0.000 0.446 258 V N -2.585 117.108 119.914 -0.370 0.000 2.809 258 V HA -0.041 4.080 4.120 0.001 0.000 0.256 258 V C 0.711 176.681 176.094 -0.206 0.000 1.080 258 V CA 1.232 63.374 62.300 -0.263 0.000 1.102 258 V CB -0.764 30.901 31.823 -0.263 0.000 0.705 258 V HN 0.365 nan 8.190 nan 0.000 0.475 259 E N 2.088 122.146 120.200 -0.238 0.000 2.773 259 E HA 0.266 4.617 4.350 0.001 0.000 0.302 259 E C 1.546 178.076 176.600 -0.117 0.000 1.574 259 E CA 0.515 56.819 56.400 -0.160 0.000 1.775 259 E CB -0.609 28.994 29.700 -0.162 0.000 1.413 259 E HN 0.850 nan 8.360 nan 0.000 0.471 260 G N 1.687 110.429 108.800 -0.096 0.000 2.225 260 G HA2 -0.328 3.633 3.960 0.001 0.000 0.267 260 G HA3 -0.328 3.633 3.960 0.001 0.000 0.267 260 G C 0.289 175.144 174.900 -0.075 0.000 1.024 260 G CA 0.270 45.342 45.100 -0.046 0.000 0.784 260 G HN 0.442 nan 8.290 nan 0.000 0.507 261 E N -0.643 119.399 120.200 -0.262 0.000 3.858 261 E HA 0.299 4.650 4.350 0.001 0.000 0.208 261 E C 1.803 177.900 176.600 -0.838 0.000 1.041 261 E CA -0.490 55.520 56.400 -0.649 0.000 1.368 261 E CB 0.192 29.433 29.700 -0.766 0.000 1.176 261 E HN 0.416 nan 8.360 nan 0.000 0.448 262 L N 0.951 121.945 121.223 -0.383 0.000 2.349 262 L HA -0.123 4.217 4.340 0.001 0.000 0.220 262 L C 2.244 179.058 176.870 -0.093 0.000 1.130 262 L CA 0.904 55.614 54.840 -0.217 0.000 0.791 262 L CB -0.565 41.497 42.059 0.005 0.000 0.918 262 L HN 0.558 nan 8.230 nan 0.000 0.444 263 W N 0.272 121.638 121.300 0.110 0.000 2.468 263 W HA -0.141 4.520 4.660 0.001 0.000 0.262 263 W C 1.799 178.442 176.519 0.206 0.000 1.241 263 W CA 0.107 57.557 57.345 0.175 0.000 1.232 263 W CB -1.034 28.486 29.460 0.099 0.000 1.124 263 W HN 0.175 nan 8.180 nan 0.000 0.597 264 R N 1.016 121.397 120.500 -0.199 0.000 2.189 264 R HA 0.000 4.341 4.340 0.001 0.000 0.223 264 R C 1.861 178.143 176.300 -0.030 0.000 1.092 264 R CA 0.735 56.808 56.100 -0.046 0.000 0.989 264 R CB -0.448 29.592 30.300 -0.434 0.000 0.876 264 R HN 0.239 nan 8.270 nan 0.000 0.457 265 L N 1.264 122.436 121.223 -0.086 0.000 2.747 265 L HA 0.213 4.554 4.340 0.001 0.000 0.248 265 L C 0.191 177.095 176.870 0.056 0.000 1.191 265 L CA 0.207 54.949 54.840 -0.163 0.000 1.003 265 L CB -0.233 41.497 42.059 -0.548 0.000 1.235 265 L HN 0.171 nan 8.230 nan 0.000 0.426 266 I N -0.462 120.167 120.570 0.100 0.000 2.743 266 I HA 0.172 4.343 4.170 0.001 0.000 0.292 266 I C -1.370 174.798 176.117 0.086 0.000 1.343 266 I CA -0.785 60.559 61.300 0.073 0.000 1.038 266 I CB 2.208 40.172 38.000 -0.060 0.000 1.311 266 I HN -0.001 nan 8.210 nan 0.000 0.426 267 D N 6.879 127.302 120.400 0.038 0.000 2.432 267 D HA 0.446 5.087 4.640 0.001 0.000 0.258 267 D C -2.277 174.109 176.300 0.143 0.000 1.146 267 D CA -2.038 52.000 54.000 0.062 0.000 1.015 267 D CB 0.496 41.283 40.800 -0.022 0.000 1.107 267 D HN 0.203 nan 8.370 nan 0.000 0.529 268 P HA -0.096 nan 4.420 nan 0.000 0.226 268 P C 0.729 178.098 177.300 0.115 0.000 1.146 268 P CA 1.058 64.257 63.100 0.164 0.000 0.773 268 P CB 0.114 31.923 31.700 0.181 0.000 0.772 269 Q N -1.898 117.973 119.800 0.117 0.000 2.319 269 Q HA 0.221 4.562 4.340 0.001 0.000 0.202 269 Q C 1.243 177.291 176.000 0.080 0.000 0.896 269 Q CA 0.667 56.532 55.803 0.103 0.000 0.942 269 Q CB 0.051 28.870 28.738 0.135 0.000 1.083 269 Q HN 0.242 nan 8.270 nan 0.000 0.510 270 G N 1.717 110.554 108.800 0.060 0.000 2.137 270 G HA2 -0.269 3.692 3.960 0.001 0.000 0.237 270 G HA3 -0.269 3.692 3.960 0.001 0.000 0.237 270 G C -0.057 174.875 174.900 0.052 0.000 1.002 270 G CA 0.264 45.381 45.100 0.028 0.000 0.702 270 G HN 0.221 nan 8.290 nan 0.000 0.515 271 K N -0.091 120.354 120.400 0.076 0.000 2.221 271 K HA 0.773 5.094 4.320 0.001 0.000 0.243 271 K C 0.752 177.397 176.600 0.075 0.000 0.968 271 K CA -0.303 56.041 56.287 0.096 0.000 0.846 271 K CB 1.690 34.283 32.500 0.155 0.000 1.141 271 K HN 0.552 nan 8.250 nan 0.000 0.434 272 A N 2.454 125.329 122.820 0.092 0.000 2.531 272 A HA 0.094 4.415 4.320 0.001 0.000 0.236 272 A C -1.535 176.025 177.584 -0.041 0.000 1.062 272 A CA -0.675 51.413 52.037 0.084 0.000 0.760 272 A CB -0.253 18.826 19.000 0.132 0.000 0.995 272 A HN 0.559 nan 8.150 nan 0.000 0.501 273 P HA 0.043 nan 4.420 nan 0.000 0.236 273 P C 0.800 177.915 177.300 -0.308 0.000 1.177 273 P CA 1.320 64.273 63.100 -0.245 0.000 0.773 273 P CB 0.223 31.768 31.700 -0.259 0.000 0.878 274 G N -0.359 108.314 108.800 -0.211 0.000 2.795 274 G HA2 0.295 4.256 3.960 0.001 0.000 0.267 274 G HA3 0.295 4.256 3.960 0.001 0.000 0.267 274 G C 0.972 175.785 174.900 -0.145 0.000 1.362 274 G CA -0.383 44.609 45.100 -0.179 0.000 1.048 274 G HN -0.178 nan 8.290 nan 0.000 0.547 275 V N 0.720 120.623 119.914 -0.019 0.000 2.453 275 V HA -0.243 3.878 4.120 0.001 0.000 0.252 275 V C 2.796 178.974 176.094 0.140 0.000 1.068 275 V CA 2.304 64.664 62.300 0.100 0.000 1.070 275 V CB -0.664 31.252 31.823 0.154 0.000 0.664 275 V HN 0.668 nan 8.190 nan 0.000 0.461 276 M N 0.536 120.187 119.600 0.085 0.000 2.144 276 M HA -0.188 4.293 4.480 0.001 0.000 0.260 276 M C 1.857 178.236 176.300 0.132 0.000 1.067 276 M CA 2.394 57.758 55.300 0.106 0.000 1.095 276 M CB -0.489 32.157 32.600 0.077 0.000 1.365 276 M HN 0.434 nan 8.290 nan 0.000 0.406 277 G N -1.673 107.182 108.800 0.093 0.000 2.623 277 G HA2 -0.147 3.814 3.960 0.001 0.000 0.214 277 G HA3 -0.147 3.814 3.960 0.001 0.000 0.214 277 G C 0.740 175.838 174.900 0.330 0.000 1.138 277 G CA 0.001 45.183 45.100 0.137 0.000 0.794 277 G HN 0.510 nan 8.290 nan 0.000 0.535 278 W N -1.833 119.526 121.300 0.098 0.000 2.699 278 W HA 0.459 5.120 4.660 0.002 0.000 0.267 278 W C 0.295 176.882 176.519 0.113 0.000 1.182 278 W CA -0.888 56.507 57.345 0.083 0.000 1.453 278 W CB 0.077 29.597 29.460 0.100 0.000 1.054 278 W HN 0.112 nan 8.180 nan 0.000 0.595 279 W N 3.405 124.860 121.300 0.258 0.000 1.485 279 W HA 0.267 4.926 4.660 -0.001 0.000 0.305 279 W C -1.670 174.915 176.519 0.109 0.000 0.879 279 W CA -2.567 54.872 57.345 0.156 0.000 1.822 279 W CB -0.046 29.507 29.460 0.154 0.000 1.990 279 W HN -0.247 nan 8.180 nan 0.000 0.441 280 P HA -0.220 nan 4.420 nan 0.000 0.217 280 P C 1.314 178.719 177.300 0.175 0.000 1.148 280 P CA 2.442 65.668 63.100 0.211 0.000 0.828 280 P CB 0.115 31.906 31.700 0.152 0.000 0.783 281 A N -0.345 122.627 122.820 0.254 0.000 2.172 281 A HA -0.079 4.242 4.320 0.001 0.000 0.216 281 A C 1.914 179.489 177.584 -0.016 0.000 1.154 281 A CA 1.199 53.318 52.037 0.137 0.000 0.701 281 A CB -0.539 18.585 19.000 0.206 0.000 0.789 281 A HN 0.079 nan 8.150 nan 0.000 0.465 282 K N -0.684 119.667 120.400 -0.082 0.000 2.402 282 K HA 0.368 4.688 4.320 0.001 0.000 0.204 282 K C 0.054 176.580 176.600 -0.123 0.000 1.056 282 K CA 0.547 56.678 56.287 -0.260 0.000 1.069 282 K CB 0.431 32.508 32.500 -0.704 0.000 0.888 282 K HN 0.313 nan 8.250 nan 0.000 0.546 283 A N 1.435 124.244 122.820 -0.018 0.000 2.249 283 A HA 0.491 4.811 4.320 0.001 0.000 0.314 283 A C -0.241 177.339 177.584 -0.007 0.000 1.290 283 A CA -0.469 51.576 52.037 0.013 0.000 0.893 283 A CB 0.704 19.748 19.000 0.074 0.000 1.165 283 A HN -0.052 nan 8.150 nan 0.000 0.530 284 V N 4.050 123.952 119.914 -0.019 0.000 2.318 284 V HA 0.363 4.484 4.120 0.001 0.000 0.271 284 V C 0.770 176.985 176.094 0.202 0.000 1.030 284 V CA -0.084 62.234 62.300 0.030 0.000 0.844 284 V CB 0.919 32.663 31.823 -0.132 0.000 1.015 284 V HN 1.016 nan 8.190 nan 0.000 0.460 285 T N 2.890 117.529 114.554 0.143 0.000 2.913 285 T HA 0.822 5.172 4.350 0.001 0.000 0.287 285 T C -0.644 174.167 174.700 0.186 0.000 1.008 285 T CA -0.427 61.729 62.100 0.094 0.000 1.067 285 T CB 1.447 70.310 68.868 -0.008 0.000 0.996 285 T HN 0.656 nan 8.240 nan 0.000 0.513 286 F N -0.808 119.035 119.950 -0.180 0.000 2.713 286 F HA 0.666 5.193 4.527 0.001 0.000 0.311 286 F C -0.256 175.313 175.800 -0.385 0.000 1.141 286 F CA -1.466 56.389 58.000 -0.242 0.000 0.939 286 F CB 0.502 39.340 39.000 -0.269 0.000 1.325 286 F HN 0.284 nan 8.300 nan 0.000 0.453 287 V N -0.384 119.304 119.914 -0.378 0.000 2.672 287 V HA 0.245 4.366 4.120 0.001 0.000 0.242 287 V C -0.310 175.598 176.094 -0.310 0.000 1.059 287 V CA 1.297 63.203 62.300 -0.656 0.000 1.081 287 V CB -0.199 30.977 31.823 -1.077 0.000 0.752 287 V HN 0.812 nan 8.190 nan 0.000 0.472 288 D N -1.132 119.213 120.400 -0.091 0.000 2.648 288 D HA 0.336 4.977 4.640 0.001 0.000 0.244 288 D C -1.299 174.617 176.300 -0.641 0.000 1.244 288 D CA -0.284 53.575 54.000 -0.236 0.000 0.772 288 D CB 2.374 42.972 40.800 -0.337 0.000 1.379 288 D HN 0.385 nan 8.370 nan 0.000 0.428 289 N N -1.435 116.799 118.700 -0.778 0.000 3.283 289 N HA 0.176 4.917 4.740 0.001 0.000 0.338 289 N C 0.963 175.957 175.510 -0.861 0.000 1.517 289 N CA -0.399 52.078 53.050 -0.955 0.000 0.733 289 N CB 0.051 38.108 38.487 -0.717 0.000 1.797 289 N HN 0.376 nan 8.380 nan 0.000 0.637 290 H N -2.014 116.777 119.070 -0.465 0.000 2.546 290 H HA 0.123 4.680 4.556 0.001 0.000 0.277 290 H C -0.430 174.849 175.328 -0.082 0.000 1.004 290 H CA 0.896 56.884 56.048 -0.099 0.000 1.231 290 H CB -0.101 29.744 29.762 0.137 0.000 1.382 290 H HN 0.493 nan 8.280 nan 0.000 0.580 291 D N 0.936 120.913 120.400 -0.704 0.000 2.468 291 D HA -0.080 4.561 4.640 0.001 0.000 0.243 291 D C 2.334 178.564 176.300 -0.117 0.000 0.994 291 D CA 2.354 56.110 54.000 -0.407 0.000 0.932 291 D CB -0.250 40.425 40.800 -0.207 0.000 1.078 291 D HN 0.535 nan 8.370 nan 0.000 0.473 292 T N -1.142 113.382 114.554 -0.051 0.000 2.821 292 T HA 0.041 4.392 4.350 0.001 0.000 0.267 292 T C 1.332 176.054 174.700 0.035 0.000 1.046 292 T CA 1.238 63.412 62.100 0.124 0.000 1.139 292 T CB -0.222 68.733 68.868 0.145 0.000 0.871 292 T HN 0.090 nan 8.240 nan 0.000 0.454 293 G N -0.299 108.423 108.800 -0.129 0.000 3.039 293 G HA2 0.513 4.474 3.960 0.001 0.000 0.159 293 G HA3 0.513 4.474 3.960 0.001 0.000 0.159 293 G C 0.091 175.016 174.900 0.042 0.000 1.284 293 G CA 0.159 45.222 45.100 -0.061 0.000 0.996 293 G HN 0.633 nan 8.290 nan 0.000 0.592 294 S N -2.377 113.448 115.700 0.209 0.000 3.426 294 S HA -0.309 4.162 4.470 0.001 0.000 0.630 294 S C 1.816 176.578 174.600 0.269 0.000 2.670 294 S CA 2.864 61.274 58.200 0.349 0.000 3.374 294 S CB -1.669 61.763 63.200 0.386 0.000 0.296 294 S HN 1.992 nan 8.310 nan 0.000 1.445 295 T N -0.450 114.269 114.554 0.274 0.000 3.081 295 T HA 0.256 4.607 4.350 0.001 0.000 0.255 295 T C 1.537 176.321 174.700 0.140 0.000 1.113 295 T CA 1.132 63.367 62.100 0.226 0.000 1.082 295 T CB -0.161 68.876 68.868 0.280 0.000 0.939 295 T HN 0.567 nan 8.240 nan 0.000 0.506 296 Q N 0.930 120.749 119.800 0.032 0.000 2.269 296 Q HA 0.383 4.724 4.340 0.001 0.000 0.201 296 Q C 1.504 177.484 176.000 -0.034 0.000 0.946 296 Q CA 0.327 56.060 55.803 -0.117 0.000 0.877 296 Q CB -0.245 28.247 28.738 -0.409 0.000 0.963 296 Q HN 0.678 nan 8.270 nan 0.000 0.472 297 A N 1.031 123.869 122.820 0.029 0.000 2.409 297 A HA -0.262 4.058 4.320 0.001 0.000 0.290 297 A C 1.010 178.650 177.584 0.094 0.000 1.440 297 A CA 0.749 52.835 52.037 0.081 0.000 0.775 297 A CB -1.678 17.387 19.000 0.109 0.000 1.069 297 A HN 0.452 nan 8.150 nan 0.000 0.389 298 M N -2.468 117.191 119.600 0.098 0.000 2.374 298 M HA -0.010 4.471 4.480 0.001 0.000 0.264 298 M C 0.896 177.383 176.300 0.311 0.000 1.067 298 M CA 1.423 56.806 55.300 0.139 0.000 1.103 298 M CB 0.144 32.832 32.600 0.147 0.000 1.402 298 M HN 0.786 nan 8.290 nan 0.000 0.444 299 W N 1.122 122.480 121.300 0.097 0.000 0.667 299 W HA 0.254 4.915 4.660 0.001 0.000 0.318 299 W C -2.899 173.649 176.519 0.048 0.000 0.864 299 W CA -2.336 55.065 57.345 0.093 0.000 1.195 299 W CB 0.272 29.854 29.460 0.202 0.000 1.170 299 W HN -0.185 nan 8.180 nan 0.000 0.511 300 P HA -0.001 nan 4.420 nan 0.000 0.265 300 P C -0.019 177.298 177.300 0.028 0.000 1.193 300 P CA 0.349 63.518 63.100 0.115 0.000 0.765 300 P CB 0.757 32.556 31.700 0.165 0.000 0.823 301 F N 5.541 125.428 119.950 -0.106 0.000 2.506 301 F HA 0.208 4.736 4.527 0.001 0.000 0.351 301 F C -1.634 174.133 175.800 -0.055 0.000 1.136 301 F CA -1.768 56.125 58.000 -0.178 0.000 1.298 301 F CB -0.190 38.669 39.000 -0.235 0.000 1.145 301 F HN 0.259 nan 8.300 nan 0.000 0.593 302 P HA -0.037 nan 4.420 nan 0.000 0.260 302 P C 0.302 177.715 177.300 0.189 0.000 1.207 302 P CA 0.528 63.566 63.100 -0.105 0.000 0.780 302 P CB 0.497 32.035 31.700 -0.269 0.000 0.789 303 S N 2.393 118.257 115.700 0.272 0.000 2.440 303 S HA -0.209 4.262 4.470 0.001 0.000 0.240 303 S C 1.226 176.085 174.600 0.432 0.000 1.014 303 S CA 1.481 59.962 58.200 0.468 0.000 0.980 303 S CB -0.624 62.809 63.200 0.389 0.000 0.775 303 S HN 0.544 nan 8.310 nan 0.000 0.499 304 D N 0.615 121.171 120.400 0.260 0.000 2.339 304 D HA 0.045 4.685 4.640 0.001 0.000 0.217 304 D C 0.945 177.371 176.300 0.211 0.000 1.050 304 D CA 0.205 54.339 54.000 0.223 0.000 0.856 304 D CB -0.102 40.777 40.800 0.131 0.000 0.922 304 D HN 0.465 nan 8.370 nan 0.000 0.518 305 K N 0.422 120.958 120.400 0.227 0.000 2.506 305 K HA 0.183 4.504 4.320 0.001 0.000 0.204 305 K C 1.444 178.183 176.600 0.231 0.000 1.045 305 K CA -0.135 56.275 56.287 0.205 0.000 1.074 305 K CB 1.610 34.194 32.500 0.140 0.000 0.842 305 K HN -0.137 nan 8.250 nan 0.000 0.514 306 V N 1.250 121.247 119.914 0.139 0.000 2.324 306 V HA -0.287 3.834 4.120 0.001 0.000 0.250 306 V C 2.144 177.905 176.094 -0.555 0.000 1.060 306 V CA 1.634 63.743 62.300 -0.318 0.000 1.042 306 V CB -0.254 31.357 31.823 -0.353 0.000 0.650 306 V HN 0.449 nan 8.190 nan 0.000 0.450 307 M N -0.945 118.355 119.600 -0.501 0.000 2.374 307 M HA -0.138 4.342 4.480 0.001 0.000 0.264 307 M C 2.116 178.149 176.300 -0.445 0.000 1.067 307 M CA 1.372 56.350 55.300 -0.537 0.000 1.103 307 M CB -1.079 31.235 32.600 -0.476 0.000 1.402 307 M HN 0.472 nan 8.290 nan 0.000 0.444 308 Q N -0.929 118.739 119.800 -0.220 0.000 2.123 308 Q HA -0.040 4.301 4.340 0.001 0.000 0.199 308 Q C 2.141 178.007 176.000 -0.223 0.000 0.966 308 Q CA 1.334 57.070 55.803 -0.111 0.000 0.845 308 Q CB -0.319 28.446 28.738 0.045 0.000 0.907 308 Q HN 0.625 nan 8.270 nan 0.000 0.439 309 G N -0.067 108.474 108.800 -0.431 0.000 2.442 309 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 309 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 309 G C 0.880 175.392 174.900 -0.646 0.000 1.141 309 G CA 0.706 45.355 45.100 -0.753 0.000 0.763 309 G HN 0.280 nan 8.290 nan 0.000 0.554 310 Y N 1.028 121.038 120.300 -0.483 0.000 2.337 310 Y HA 0.228 4.778 4.550 0.001 0.000 0.293 310 Y C 3.017 178.736 175.900 -0.303 0.000 1.123 310 Y CA 0.247 58.126 58.100 -0.368 0.000 1.201 310 Y CB -0.354 37.867 38.460 -0.399 0.000 1.011 310 Y HN 0.256 nan 8.280 nan 0.000 0.545 311 A N -0.787 121.880 122.820 -0.256 0.000 1.933 311 A HA -0.238 4.083 4.320 0.001 0.000 0.218 311 A C 2.019 179.587 177.584 -0.026 0.000 1.175 311 A CA 1.608 53.523 52.037 -0.203 0.000 0.628 311 A CB -1.138 17.699 19.000 -0.271 0.000 0.814 311 A HN 0.540 nan 8.150 nan 0.000 0.444 312 Y N 1.192 121.364 120.300 -0.212 0.000 2.084 312 Y HA -0.157 4.394 4.550 0.002 0.000 0.279 312 Y C 2.219 177.929 175.900 -0.317 0.000 1.119 312 Y CA 2.013 59.909 58.100 -0.339 0.000 1.101 312 Y CB -0.438 37.765 38.460 -0.429 0.000 0.989 312 Y HN 0.373 nan 8.280 nan 0.000 0.484 313 I N -1.271 119.202 120.570 -0.161 0.000 2.361 313 I HA -0.227 3.944 4.170 0.001 0.000 0.251 313 I C 1.788 177.873 176.117 -0.053 0.000 1.133 313 I CA 1.698 62.904 61.300 -0.156 0.000 1.413 313 I CB -0.734 37.214 38.000 -0.088 0.000 1.073 313 I HN 0.243 nan 8.210 nan 0.000 0.424 314 L N 1.338 122.566 121.223 0.007 0.000 2.395 314 L HA -0.038 4.303 4.340 0.001 0.000 0.218 314 L C 2.516 179.428 176.870 0.070 0.000 1.130 314 L CA 1.452 56.326 54.840 0.056 0.000 0.826 314 L CB -0.722 41.379 42.059 0.069 0.000 0.941 314 L HN 0.518 nan 8.230 nan 0.000 0.451 315 T N -5.617 108.991 114.554 0.090 0.000 3.014 315 T HA 0.080 4.431 4.350 0.001 0.000 0.250 315 T C 0.735 175.523 174.700 0.146 0.000 1.060 315 T CA -0.164 62.022 62.100 0.144 0.000 1.040 315 T CB -0.061 68.929 68.868 0.204 0.000 0.971 315 T HN 0.101 nan 8.240 nan 0.000 0.497 316 H N 2.266 121.258 119.070 -0.131 0.000 2.499 316 H HA 0.539 5.096 4.556 0.002 0.000 0.352 316 H C -2.342 172.927 175.328 -0.098 0.000 1.237 316 H CA -1.895 54.051 56.048 -0.170 0.000 1.343 316 H CB 0.256 29.764 29.762 -0.423 0.000 1.578 316 H HN 0.099 nan 8.280 nan 0.000 0.577 317 P HA 0.240 nan 4.420 nan 0.000 0.272 317 P C -0.198 177.125 177.300 0.038 0.000 1.254 317 P CA 0.399 63.512 63.100 0.022 0.000 0.795 317 P CB 0.388 32.100 31.700 0.020 0.000 1.022 318 G N -0.910 107.918 108.800 0.046 0.000 2.699 318 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 318 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 318 G C -1.039 173.872 174.900 0.019 0.000 1.301 318 G CA -0.793 44.331 45.100 0.040 0.000 0.816 318 G HN 0.455 nan 8.290 nan 0.000 0.595 319 I N 2.882 123.455 120.570 0.005 0.000 2.307 319 I HA 0.343 4.514 4.170 0.001 0.000 0.289 319 I C -1.744 174.386 176.117 0.023 0.000 1.021 319 I CA -2.049 59.243 61.300 -0.012 0.000 1.224 319 I CB 1.939 39.904 38.000 -0.060 0.000 1.376 319 I HN 0.317 nan 8.210 nan 0.000 0.470 320 P HA 0.072 nan 4.420 nan 0.000 0.278 320 P C -0.922 176.453 177.300 0.125 0.000 1.238 320 P CA -0.437 62.711 63.100 0.079 0.000 0.794 320 P CB 1.582 33.325 31.700 0.071 0.000 0.955 321 C N 5.356 124.767 119.300 0.185 0.000 2.322 321 C HA 0.536 4.997 4.460 0.001 0.000 0.324 321 C C 0.133 175.259 174.990 0.226 0.000 1.249 321 C CA -0.765 58.387 59.018 0.224 0.000 1.453 321 C CB -1.329 26.588 27.740 0.295 0.000 2.145 321 C HN 0.463 nan 8.230 nan 0.000 0.466 322 I N 5.780 126.441 120.570 0.151 0.000 2.428 322 I HA 0.254 4.425 4.170 0.001 0.000 0.289 322 I C -0.017 175.987 176.117 -0.188 0.000 1.019 322 I CA -0.142 61.199 61.300 0.067 0.000 1.351 322 I CB 0.705 38.671 38.000 -0.058 0.000 1.412 322 I HN 0.541 nan 8.210 nan 0.000 0.513 323 F N 6.626 126.448 119.950 -0.213 0.000 2.410 323 F HA 0.143 4.670 4.527 0.001 0.000 0.348 323 F C 0.772 176.284 175.800 -0.480 0.000 1.106 323 F CA -0.651 57.105 58.000 -0.406 0.000 1.163 323 F CB 0.531 39.269 39.000 -0.435 0.000 1.129 323 F HN 0.413 nan 8.300 nan 0.000 0.516 324 Y N 3.706 123.285 120.300 -1.201 0.000 2.030 324 Y HA -0.375 4.176 4.550 0.001 0.000 0.272 324 Y C 1.923 177.606 175.900 -0.362 0.000 1.185 324 Y CA 2.600 60.314 58.100 -0.643 0.000 1.120 324 Y CB -0.236 38.027 38.460 -0.329 0.000 0.955 324 Y HN 0.649 nan 8.280 nan 0.000 0.495 325 D N -1.127 118.883 120.400 -0.649 0.000 2.123 325 D HA -0.205 4.436 4.640 0.001 0.000 0.196 325 D C 1.988 178.266 176.300 -0.037 0.000 0.992 325 D CA 2.157 56.092 54.000 -0.108 0.000 0.833 325 D CB -0.768 40.066 40.800 0.057 0.000 0.954 325 D HN 0.661 nan 8.370 nan 0.000 0.455 326 H N -1.348 117.560 119.070 -0.271 0.000 2.387 326 H HA -0.085 4.472 4.556 0.001 0.000 0.299 326 H C 1.836 177.127 175.328 -0.061 0.000 1.090 326 H CA 0.708 56.620 56.048 -0.227 0.000 1.332 326 H CB -0.046 29.684 29.762 -0.052 0.000 1.386 326 H HN 0.085 nan 8.280 nan 0.000 0.516 327 F N 0.167 119.992 119.950 -0.208 0.000 2.128 327 F HA -0.114 4.414 4.527 0.002 0.000 0.295 327 F C 1.433 176.962 175.800 -0.452 0.000 1.100 327 F CA 1.183 58.969 58.000 -0.356 0.000 1.260 327 F CB -0.071 38.692 39.000 -0.395 0.000 1.009 327 F HN -0.028 nan 8.300 nan 0.000 0.476 328 F N -0.269 119.629 119.950 -0.086 0.000 2.505 328 F HA 0.152 4.679 4.527 0.001 0.000 0.289 328 F C 1.880 177.656 175.800 -0.041 0.000 1.101 328 F CA 0.796 58.697 58.000 -0.164 0.000 1.446 328 F CB -0.684 38.110 39.000 -0.344 0.000 1.123 328 F HN -0.056 nan 8.300 nan 0.000 0.564 329 N N -2.178 116.671 118.700 0.247 0.000 2.322 329 N HA -0.050 4.691 4.740 0.001 0.000 0.181 329 N C 0.687 176.347 175.510 0.250 0.000 1.088 329 N CA 0.107 53.328 53.050 0.285 0.000 0.885 329 N CB 0.072 38.793 38.487 0.389 0.000 1.013 329 N HN 0.139 nan 8.380 nan 0.000 0.472 330 W N 0.458 121.675 121.300 -0.139 0.000 3.278 330 W HA 0.376 5.037 4.660 0.002 0.000 0.308 330 W C 1.290 177.446 176.519 -0.606 0.000 1.253 330 W CA -0.096 57.011 57.345 -0.397 0.000 1.759 330 W CB -0.035 29.087 29.460 -0.563 0.000 1.093 330 W HN 0.002 nan 8.180 nan 0.000 0.648 331 G N -0.132 108.570 108.800 -0.163 0.000 2.148 331 G HA2 -0.346 3.615 3.960 0.001 0.000 0.254 331 G HA3 -0.346 3.615 3.960 0.001 0.000 0.254 331 G C 0.381 175.233 174.900 -0.081 0.000 0.981 331 G CA 0.316 45.325 45.100 -0.153 0.000 0.670 331 G HN 0.173 nan 8.290 nan 0.000 0.528 332 F N 0.570 120.512 119.950 -0.014 0.000 2.660 332 F HA 0.328 4.856 4.527 0.001 0.000 0.302 332 F C 2.039 177.694 175.800 -0.241 0.000 1.103 332 F CA 0.002 57.957 58.000 -0.075 0.000 1.340 332 F CB 0.162 39.123 39.000 -0.065 0.000 1.048 332 F HN 0.292 nan 8.300 nan 0.000 0.551 333 K N 0.847 121.091 120.400 -0.261 0.000 2.009 333 K HA -0.206 4.115 4.320 0.001 0.000 0.210 333 K C 1.195 177.569 176.600 -0.378 0.000 1.049 333 K CA 2.213 58.073 56.287 -0.712 0.000 0.929 333 K CB -0.083 31.852 32.500 -0.941 0.000 0.714 333 K HN 0.093 nan 8.250 nan 0.000 0.440 334 D N 0.484 120.775 120.400 -0.181 0.000 2.178 334 D HA -0.122 4.518 4.640 0.001 0.000 0.202 334 D C 2.069 178.362 176.300 -0.012 0.000 0.974 334 D CA 1.025 54.980 54.000 -0.075 0.000 0.841 334 D CB -0.086 40.693 40.800 -0.035 0.000 0.953 334 D HN 0.384 nan 8.370 nan 0.000 0.478 335 Q N -0.060 119.752 119.800 0.020 0.000 2.119 335 Q HA -0.010 4.331 4.340 0.001 0.000 0.201 335 Q C 2.356 178.356 176.000 -0.000 0.000 0.972 335 Q CA 0.629 56.466 55.803 0.057 0.000 0.847 335 Q CB 0.116 28.922 28.738 0.113 0.000 0.903 335 Q HN 0.323 nan 8.270 nan 0.000 0.433 336 I N 0.344 120.889 120.570 -0.042 0.000 2.252 336 I HA -0.230 3.940 4.170 0.001 0.000 0.245 336 I C 2.334 178.484 176.117 0.055 0.000 1.102 336 I CA 0.807 62.071 61.300 -0.060 0.000 1.385 336 I CB -0.277 37.673 38.000 -0.084 0.000 1.064 336 I HN 0.150 nan 8.210 nan 0.000 0.414 337 A N 0.720 123.610 122.820 0.118 0.000 1.933 337 A HA -0.137 4.184 4.320 0.001 0.000 0.218 337 A C 2.528 180.158 177.584 0.077 0.000 1.175 337 A CA 1.718 53.842 52.037 0.144 0.000 0.628 337 A CB -0.753 18.334 19.000 0.143 0.000 0.814 337 A HN 0.417 nan 8.150 nan 0.000 0.444 338 A N -0.341 122.511 122.820 0.053 0.000 1.933 338 A HA -0.016 4.305 4.320 0.001 0.000 0.218 338 A C 2.137 179.755 177.584 0.056 0.000 1.175 338 A CA 1.442 53.509 52.037 0.050 0.000 0.628 338 A CB -0.530 18.500 19.000 0.050 0.000 0.814 338 A HN 0.473 nan 8.150 nan 0.000 0.444 339 L N -0.722 120.529 121.223 0.048 0.000 2.093 339 L HA -0.120 4.221 4.340 0.001 0.000 0.208 339 L C 2.435 179.346 176.870 0.068 0.000 1.085 339 L CA 0.766 55.635 54.840 0.048 0.000 0.755 339 L CB -0.379 41.681 42.059 0.000 0.000 0.904 339 L HN 0.234 nan 8.230 nan 0.000 0.435 340 V N -0.046 119.912 119.914 0.074 0.000 2.515 340 V HA -0.235 3.885 4.120 0.001 0.000 0.250 340 V C 2.677 178.829 176.094 0.096 0.000 1.058 340 V CA 1.632 63.997 62.300 0.109 0.000 1.064 340 V CB -0.710 31.184 31.823 0.117 0.000 0.675 340 V HN 0.465 nan 8.190 nan 0.000 0.461 341 A N -0.172 122.686 122.820 0.062 0.000 1.969 341 A HA -0.119 4.202 4.320 0.001 0.000 0.218 341 A C 2.162 179.767 177.584 0.034 0.000 1.169 341 A CA 1.539 53.595 52.037 0.030 0.000 0.635 341 A CB -0.447 18.568 19.000 0.025 0.000 0.810 341 A HN 0.503 nan 8.150 nan 0.000 0.445 342 I N -1.082 119.522 120.570 0.057 0.000 2.252 342 I HA -0.228 3.942 4.170 0.001 0.000 0.245 342 I C 2.685 178.848 176.117 0.077 0.000 1.102 342 I CA 1.451 62.792 61.300 0.068 0.000 1.385 342 I CB -0.279 37.773 38.000 0.086 0.000 1.064 342 I HN 0.366 nan 8.210 nan 0.000 0.414 343 R N 1.435 121.992 120.500 0.095 0.000 2.082 343 R HA -0.266 4.075 4.340 0.001 0.000 0.234 343 R C 2.366 178.733 176.300 0.112 0.000 1.136 343 R CA 2.185 58.356 56.100 0.119 0.000 0.935 343 R CB -0.207 30.189 30.300 0.160 0.000 0.842 343 R HN 0.199 nan 8.270 nan 0.000 0.430 344 K N 0.654 121.095 120.400 0.068 0.000 2.026 344 K HA -0.177 4.144 4.320 0.001 0.000 0.208 344 K C 2.237 178.803 176.600 -0.058 0.000 1.048 344 K CA 1.857 58.089 56.287 -0.093 0.000 0.929 344 K CB -0.203 32.060 32.500 -0.397 0.000 0.713 344 K HN 0.240 nan 8.250 nan 0.000 0.439 345 R N -0.074 120.409 120.500 -0.029 0.000 2.237 345 R HA -0.051 4.290 4.340 0.001 0.000 0.219 345 R C 0.766 177.070 176.300 0.007 0.000 1.080 345 R CA 1.340 57.430 56.100 -0.016 0.000 0.995 345 R CB -0.348 29.948 30.300 -0.006 0.000 0.875 345 R HN 0.229 nan 8.270 nan 0.000 0.462 346 N N 0.599 119.317 118.700 0.030 0.000 2.280 346 N HA 0.041 4.782 4.740 0.001 0.000 0.192 346 N C 0.343 175.880 175.510 0.045 0.000 1.109 346 N CA 0.797 53.872 53.050 0.042 0.000 0.855 346 N CB 1.040 39.566 38.487 0.065 0.000 0.974 346 N HN 0.531 nan 8.380 nan 0.000 0.482 347 G N 1.759 110.586 108.800 0.045 0.000 2.225 347 G HA2 -0.280 3.681 3.960 0.001 0.000 0.267 347 G HA3 -0.280 3.681 3.960 0.001 0.000 0.267 347 G C 0.158 175.104 174.900 0.076 0.000 1.024 347 G CA -0.059 45.075 45.100 0.058 0.000 0.784 347 G HN 0.335 nan 8.290 nan 0.000 0.507 348 I N 1.442 122.066 120.570 0.090 0.000 2.588 348 I HA 0.393 4.564 4.170 0.001 0.000 0.283 348 I C 1.253 177.429 176.117 0.098 0.000 1.119 348 I CA 0.859 62.209 61.300 0.084 0.000 1.419 348 I CB 0.858 38.907 38.000 0.082 0.000 1.394 348 I HN 0.396 nan 8.210 nan 0.000 0.562 349 T N 1.707 116.302 114.554 0.068 0.000 2.742 349 T HA 0.526 4.877 4.350 0.001 0.000 0.282 349 T C 0.832 175.556 174.700 0.040 0.000 1.025 349 T CA -0.233 61.901 62.100 0.056 0.000 1.020 349 T CB 1.515 70.417 68.868 0.057 0.000 1.317 349 T HN 0.503 nan 8.240 nan 0.000 0.538 350 A N 0.579 123.417 122.820 0.031 0.000 2.032 350 A HA 0.023 4.344 4.320 0.001 0.000 0.221 350 A C 2.058 179.676 177.584 0.057 0.000 1.165 350 A CA 2.141 54.200 52.037 0.037 0.000 0.645 350 A CB -1.515 17.502 19.000 0.028 0.000 0.807 350 A HN 1.204 nan 8.150 nan 0.000 0.453 351 T N -3.059 111.529 114.554 0.058 0.000 3.145 351 T HA 0.333 4.683 4.350 0.001 0.000 0.255 351 T C 0.500 175.227 174.700 0.045 0.000 1.039 351 T CA 0.255 62.393 62.100 0.064 0.000 0.928 351 T CB -0.170 68.740 68.868 0.070 0.000 1.029 351 T HN 0.113 nan 8.240 nan 0.000 0.554 352 S N 2.142 117.863 115.700 0.034 0.000 2.568 352 S HA 0.541 5.012 4.470 0.001 0.000 0.282 352 S C 0.803 175.408 174.600 0.007 0.000 1.338 352 S CA -0.511 57.702 58.200 0.021 0.000 1.045 352 S CB 0.283 63.493 63.200 0.016 0.000 0.873 352 S HN 0.800 nan 8.310 nan 0.000 0.516 353 A N 2.122 124.945 122.820 0.005 0.000 2.425 353 A HA 0.500 4.821 4.320 0.001 0.000 0.249 353 A C -0.473 177.091 177.584 -0.034 0.000 1.084 353 A CA -0.307 51.728 52.037 -0.003 0.000 0.781 353 A CB 0.004 19.008 19.000 0.006 0.000 1.019 353 A HN 0.624 nan 8.150 nan 0.000 0.490 354 L N 2.072 123.272 121.223 -0.039 0.000 2.325 354 L HA 0.567 4.907 4.340 0.001 0.000 0.281 354 L C -0.191 176.654 176.870 -0.042 0.000 1.004 354 L CA -0.183 54.608 54.840 -0.082 0.000 0.823 354 L CB 1.357 43.360 42.059 -0.093 0.000 1.236 354 L HN 0.681 nan 8.230 nan 0.000 0.415 355 K N 6.458 126.823 120.400 -0.060 0.000 2.483 355 K HA 0.494 4.815 4.320 0.001 0.000 0.256 355 K C -1.185 175.382 176.600 -0.055 0.000 0.961 355 K CA -0.521 55.744 56.287 -0.036 0.000 0.873 355 K CB 0.876 33.355 32.500 -0.034 0.000 1.107 355 K HN 0.700 nan 8.250 nan 0.000 0.432 356 I N 6.424 126.987 120.570 -0.013 0.000 2.416 356 I HA 0.033 4.204 4.170 0.001 0.000 0.288 356 I C 0.931 177.044 176.117 -0.007 0.000 1.051 356 I CA -0.204 61.084 61.300 -0.019 0.000 1.375 356 I CB 0.988 39.044 38.000 0.092 0.000 1.407 356 I HN 0.657 nan 8.210 nan 0.000 0.516 357 L N 6.156 127.330 121.223 -0.082 0.000 2.556 357 L HA 0.367 4.707 4.340 0.001 0.000 0.226 357 L C 0.386 177.228 176.870 -0.046 0.000 1.089 357 L CA 0.301 55.095 54.840 -0.077 0.000 0.864 357 L CB 0.192 42.150 42.059 -0.169 0.000 1.067 357 L HN 0.612 nan 8.230 nan 0.000 0.477 358 M N 0.717 120.299 119.600 -0.029 0.000 2.307 358 M HA 0.240 4.721 4.480 0.001 0.000 0.279 358 M C -1.854 174.490 176.300 0.074 0.000 1.080 358 M CA -0.434 54.839 55.300 -0.045 0.000 0.964 358 M CB 1.401 33.947 32.600 -0.089 0.000 1.825 358 M HN 0.098 nan 8.290 nan 0.000 0.489 359 H N 2.115 121.253 119.070 0.114 0.000 2.379 359 H HA 0.545 5.102 4.556 0.002 0.000 0.229 359 H C -1.242 174.235 175.328 0.248 0.000 1.423 359 H CA -0.613 55.580 56.048 0.242 0.000 1.375 359 H CB 0.020 29.955 29.762 0.290 0.000 1.592 359 H HN 0.692 nan 8.280 nan 0.000 0.507 360 E N 0.145 120.443 120.200 0.163 0.000 2.259 360 E HA 0.325 4.675 4.350 0.001 0.000 0.257 360 E C 1.004 177.758 176.600 0.258 0.000 0.998 360 E CA -0.864 55.647 56.400 0.184 0.000 0.866 360 E CB 1.401 31.145 29.700 0.074 0.000 1.220 360 E HN 0.443 nan 8.360 nan 0.000 0.415 361 G N 1.236 110.231 108.800 0.324 0.000 2.505 361 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 361 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 361 G C 0.730 175.703 174.900 0.121 0.000 1.145 361 G CA 1.574 46.845 45.100 0.285 0.000 0.761 361 G HN 0.657 nan 8.290 nan 0.000 0.571 362 D N -0.686 119.781 120.400 0.112 0.000 2.538 362 D HA 0.512 5.153 4.640 0.001 0.000 0.231 362 D C 0.265 176.626 176.300 0.102 0.000 1.229 362 D CA 0.199 54.251 54.000 0.086 0.000 0.828 362 D CB 0.201 41.047 40.800 0.078 0.000 1.035 362 D HN 0.341 nan 8.370 nan 0.000 0.495 363 A N 0.426 123.319 122.820 0.122 0.000 2.509 363 A HA 0.458 4.778 4.320 0.001 0.000 0.282 363 A C -2.159 175.536 177.584 0.185 0.000 1.054 363 A CA -0.918 51.200 52.037 0.136 0.000 0.820 363 A CB 0.723 19.777 19.000 0.091 0.000 1.333 363 A HN 0.204 nan 8.150 nan 0.000 0.409 364 Y N 2.649 123.006 120.300 0.095 0.000 2.335 364 Y HA 0.689 5.239 4.550 0.001 0.000 0.338 364 Y C -1.173 174.813 175.900 0.143 0.000 0.977 364 Y CA -0.782 57.394 58.100 0.126 0.000 1.114 364 Y CB 1.740 40.268 38.460 0.115 0.000 1.182 364 Y HN 0.556 nan 8.280 nan 0.000 0.463 365 V N 5.364 124.982 119.914 -0.493 0.000 2.686 365 V HA 0.921 5.042 4.120 0.001 0.000 0.306 365 V C -0.825 174.951 176.094 -0.531 0.000 1.065 365 V CA -0.423 61.653 62.300 -0.373 0.000 0.894 365 V CB 1.327 33.019 31.823 -0.218 0.000 1.004 365 V HN 0.995 nan 8.190 nan 0.000 0.424 366 A N 3.311 125.908 122.820 -0.371 0.000 2.572 366 A HA 0.874 5.195 4.320 0.001 0.000 0.295 366 A C -1.089 176.382 177.584 -0.189 0.000 1.072 366 A CA -0.612 51.262 52.037 -0.272 0.000 0.691 366 A CB 2.036 20.916 19.000 -0.200 0.000 1.291 366 A HN 0.813 nan 8.150 nan 0.000 0.404 367 E N 0.894 120.987 120.200 -0.179 0.000 2.187 367 E HA 0.618 4.969 4.350 0.001 0.000 0.268 367 E C -1.722 174.818 176.600 -0.101 0.000 0.896 367 E CA -0.531 55.779 56.400 -0.149 0.000 0.766 367 E CB 1.073 30.676 29.700 -0.161 0.000 1.142 367 E HN 0.465 nan 8.360 nan 0.000 0.408 368 I N 4.088 124.629 120.570 -0.049 0.000 2.418 368 I HA 0.187 4.358 4.170 0.001 0.000 0.287 368 I C -0.241 175.891 176.117 0.024 0.000 1.008 368 I CA -0.320 60.951 61.300 -0.048 0.000 1.104 368 I CB 1.805 39.758 38.000 -0.079 0.000 1.264 368 I HN 0.612 nan 8.210 nan 0.000 0.438 369 D N 4.801 125.211 120.400 0.016 0.000 2.955 369 D HA -0.207 4.433 4.640 0.001 0.000 0.226 369 D C 1.374 177.712 176.300 0.063 0.000 1.178 369 D CA 1.760 55.782 54.000 0.036 0.000 0.808 369 D CB -0.953 39.871 40.800 0.040 0.000 1.099 369 D HN 1.161 nan 8.370 nan 0.000 0.421 370 G N -0.354 108.498 108.800 0.086 0.000 2.233 370 G HA2 -0.425 3.536 3.960 0.001 0.000 0.270 370 G HA3 -0.425 3.536 3.960 0.001 0.000 0.270 370 G C 1.026 176.065 174.900 0.232 0.000 1.011 370 G CA 1.282 46.474 45.100 0.154 0.000 0.762 370 G HN 0.532 nan 8.290 nan 0.000 0.511 371 K N -1.729 118.805 120.400 0.224 0.000 2.474 371 K HA 0.428 4.749 4.320 0.001 0.000 0.204 371 K C 0.260 177.078 176.600 0.363 0.000 1.220 371 K CA 0.372 56.770 56.287 0.185 0.000 0.966 371 K CB 1.544 34.098 32.500 0.090 0.000 1.049 371 K HN 0.233 nan 8.250 nan 0.000 0.554 372 V N 1.663 121.801 119.914 0.372 0.000 2.760 372 V HA 0.352 4.473 4.120 0.001 0.000 0.309 372 V C -0.969 175.242 176.094 0.194 0.000 1.077 372 V CA -0.958 61.553 62.300 0.351 0.000 0.910 372 V CB 2.309 34.254 31.823 0.203 0.000 1.008 372 V HN -0.239 nan 8.190 nan 0.000 0.424 373 V N 4.807 124.813 119.914 0.153 0.000 2.495 373 V HA 0.655 4.776 4.120 0.001 0.000 0.298 373 V C -0.440 175.827 176.094 0.289 0.000 1.031 373 V CA -0.565 61.702 62.300 -0.055 0.000 0.871 373 V CB 2.030 33.496 31.823 -0.595 0.000 0.988 373 V HN 0.646 nan 8.190 nan 0.000 0.432 374 V N 5.354 125.403 119.914 0.224 0.000 2.823 374 V HA 0.780 4.901 4.120 0.001 0.000 0.312 374 V C -0.887 175.409 176.094 0.337 0.000 1.072 374 V CA -0.541 61.976 62.300 0.362 0.000 0.937 374 V CB 1.977 33.989 31.823 0.315 0.000 1.013 374 V HN 0.869 nan 8.190 nan 0.000 0.430 375 K N 6.543 127.207 120.400 0.440 0.000 2.482 375 K HA 0.577 4.898 4.320 0.001 0.000 0.251 375 K C -1.468 175.336 176.600 0.339 0.000 0.936 375 K CA -0.487 56.015 56.287 0.359 0.000 0.791 375 K CB 1.910 34.672 32.500 0.437 0.000 1.213 375 K HN 0.860 nan 8.250 nan 0.000 0.428 376 I N -0.909 119.852 120.570 0.317 0.000 3.042 376 I HA 0.884 5.055 4.170 0.001 0.000 0.310 376 I C 0.019 176.260 176.117 0.206 0.000 1.117 376 I CA -0.814 60.645 61.300 0.265 0.000 1.003 376 I CB 2.201 40.337 38.000 0.227 0.000 1.228 376 I HN 0.769 nan 8.210 nan 0.000 0.443 377 G N 2.188 111.080 108.800 0.152 0.000 2.515 377 G HA2 -0.057 3.904 3.960 0.001 0.000 0.686 377 G HA3 -0.057 3.904 3.960 0.001 0.000 0.686 377 G C -0.021 174.946 174.900 0.112 0.000 1.274 377 G CA -0.200 44.969 45.100 0.114 0.000 0.874 377 G HN 1.259 nan 8.290 nan 0.000 0.631 378 S N -0.785 114.970 115.700 0.091 0.000 2.593 378 S HA 0.145 4.616 4.470 0.001 0.000 0.217 378 S C 1.047 175.714 174.600 0.111 0.000 0.966 378 S CA 0.779 59.033 58.200 0.090 0.000 0.914 378 S CB 0.150 63.388 63.200 0.064 0.000 0.776 378 S HN 0.836 nan 8.310 nan 0.000 0.523 379 R N 0.532 121.104 120.500 0.119 0.000 2.421 379 R HA 0.063 4.404 4.340 0.001 0.000 0.305 379 R C 0.877 177.290 176.300 0.189 0.000 1.039 379 R CA -0.330 55.850 56.100 0.133 0.000 1.003 379 R CB 0.030 30.393 30.300 0.106 0.000 0.959 379 R HN 0.299 nan 8.270 nan 0.000 0.427 380 Y N 3.010 123.337 120.300 0.045 0.000 2.145 380 Y HA -0.138 4.413 4.550 0.001 0.000 0.286 380 Y C 0.191 176.128 175.900 0.061 0.000 1.145 380 Y CA 1.764 59.891 58.100 0.045 0.000 1.148 380 Y CB 0.075 38.555 38.460 0.032 0.000 0.981 380 Y HN 0.674 nan 8.280 nan 0.000 0.507 381 D N -1.043 119.365 120.400 0.014 0.000 2.375 381 D HA 0.405 5.046 4.640 0.001 0.000 0.247 381 D C -0.193 176.102 176.300 -0.009 0.000 1.061 381 D CA -0.098 53.855 54.000 -0.078 0.000 0.834 381 D CB 1.646 42.383 40.800 -0.105 0.000 1.247 381 D HN -0.023 nan 8.370 nan 0.000 0.489 382 V N 1.448 121.356 119.914 -0.009 0.000 3.261 382 V HA 0.459 4.580 4.120 0.001 0.000 0.330 382 V C 1.527 177.558 176.094 -0.104 0.000 1.461 382 V CA 0.320 62.596 62.300 -0.039 0.000 1.127 382 V CB 0.468 32.280 31.823 -0.018 0.000 1.044 382 V HN 0.530 nan 8.190 nan 0.000 0.499 383 G N 1.407 110.164 108.800 -0.072 0.000 2.475 383 G HA2 -0.170 3.791 3.960 0.001 0.000 0.220 383 G HA3 -0.170 3.791 3.960 0.001 0.000 0.220 383 G C 1.512 176.338 174.900 -0.123 0.000 1.125 383 G CA 1.313 46.357 45.100 -0.093 0.000 0.755 383 G HN 0.993 nan 8.290 nan 0.000 0.565 384 A N 0.285 123.048 122.820 -0.095 0.000 2.121 384 A HA 0.154 4.475 4.320 0.001 0.000 0.218 384 A C 2.381 179.893 177.584 -0.119 0.000 1.154 384 A CA 1.853 53.838 52.037 -0.087 0.000 0.679 384 A CB -0.328 18.636 19.000 -0.061 0.000 0.795 384 A HN 0.988 nan 8.150 nan 0.000 0.458 385 V N -3.193 116.622 119.914 -0.166 0.000 3.621 385 V HA 0.322 4.442 4.120 0.001 0.000 0.285 385 V C 0.155 176.069 176.094 -0.301 0.000 1.346 385 V CA -0.568 61.614 62.300 -0.198 0.000 1.104 385 V CB -0.550 31.165 31.823 -0.179 0.000 0.913 385 V HN 0.214 nan 8.190 nan 0.000 0.432 386 I N 2.897 123.242 120.570 -0.374 0.000 2.396 386 I HA 0.467 4.638 4.170 0.001 0.000 0.289 386 I C -1.903 174.028 176.117 -0.309 0.000 1.056 386 I CA -2.680 58.297 61.300 -0.537 0.000 1.365 386 I CB 0.238 37.818 38.000 -0.701 0.000 1.407 386 I HN 0.202 nan 8.210 nan 0.000 0.509 387 P HA 0.170 nan 4.420 nan 0.000 0.271 387 P C -0.400 176.991 177.300 0.151 0.000 1.233 387 P CA -0.411 62.674 63.100 -0.025 0.000 0.789 387 P CB 0.567 32.300 31.700 0.054 0.000 0.951 388 A N 1.088 123.976 122.820 0.113 0.000 2.511 388 A HA 0.442 4.763 4.320 0.001 0.000 0.242 388 A C 1.392 179.046 177.584 0.116 0.000 1.069 388 A CA 0.749 52.843 52.037 0.095 0.000 0.763 388 A CB -1.270 17.755 19.000 0.043 0.000 1.001 388 A HN 0.865 nan 8.150 nan 0.000 0.498 389 G N 0.700 109.541 108.800 0.068 0.000 2.194 389 G HA2 -0.197 3.764 3.960 0.001 0.000 0.236 389 G HA3 -0.197 3.764 3.960 0.001 0.000 0.236 389 G C -0.023 174.812 174.900 -0.108 0.000 0.987 389 G CA 0.137 45.209 45.100 -0.047 0.000 0.635 389 G HN 0.646 nan 8.290 nan 0.000 0.520 390 F N 0.236 120.202 119.950 0.026 0.000 2.384 390 F HA 0.689 5.217 4.527 0.001 0.000 0.338 390 F C 0.616 176.540 175.800 0.207 0.000 1.103 390 F CA -0.437 57.621 58.000 0.097 0.000 1.157 390 F CB 1.956 40.974 39.000 0.029 0.000 1.167 390 F HN 0.122 nan 8.300 nan 0.000 0.529 391 V N 2.511 122.690 119.914 0.441 0.000 2.789 391 V HA 0.463 4.584 4.120 0.001 0.000 0.311 391 V C -0.424 175.862 176.094 0.319 0.000 1.073 391 V CA -0.765 61.752 62.300 0.361 0.000 0.921 391 V CB 2.068 33.988 31.823 0.162 0.000 1.009 391 V HN 0.862 nan 8.190 nan 0.000 0.426 392 T N 2.912 117.526 114.554 0.100 0.000 2.849 392 T HA 0.055 4.406 4.350 0.001 0.000 0.289 392 T C 0.919 175.518 174.700 -0.168 0.000 1.010 392 T CA 0.846 62.725 62.100 -0.368 0.000 1.161 392 T CB 0.889 69.536 68.868 -0.368 0.000 0.989 392 T HN 0.967 nan 8.240 nan 0.000 0.523 393 S N 1.975 117.566 115.700 -0.182 0.000 2.545 393 S HA 0.594 5.065 4.470 0.001 0.000 0.232 393 S C 0.478 175.034 174.600 -0.072 0.000 1.070 393 S CA 0.262 58.427 58.200 -0.057 0.000 0.923 393 S CB -0.042 63.180 63.200 0.036 0.000 0.806 393 S HN 1.295 nan 8.310 nan 0.000 0.506 394 A N 0.027 122.773 122.820 -0.124 0.000 2.612 394 A HA 0.865 5.186 4.320 0.001 0.000 0.293 394 A C -1.173 176.311 177.584 -0.168 0.000 1.075 394 A CA -0.136 51.858 52.037 -0.072 0.000 0.680 394 A CB 1.027 20.058 19.000 0.052 0.000 1.279 394 A HN 1.139 nan 8.150 nan 0.000 0.411 395 A N -0.467 122.220 122.820 -0.222 0.000 2.597 395 A HA 0.958 5.278 4.320 0.001 0.000 0.292 395 A C -0.170 177.012 177.584 -0.670 0.000 1.057 395 A CA 0.224 51.945 52.037 -0.526 0.000 0.674 395 A CB 0.868 19.623 19.000 -0.408 0.000 1.278 395 A HN 2.624 nan 8.150 nan 0.000 0.416 396 G N -0.144 107.949 108.800 -1.178 0.000 2.753 396 G HA2 0.492 4.453 3.960 0.001 0.000 0.303 396 G HA3 0.492 4.453 3.960 0.001 0.000 0.303 396 G C -1.378 173.237 174.900 -0.474 0.000 1.242 396 G CA -0.745 43.948 45.100 -0.679 0.000 0.810 396 G HN 0.706 nan 8.290 nan 0.000 0.515 397 N N 1.910 120.544 118.700 -0.110 0.000 2.418 397 N HA 0.248 4.989 4.740 0.001 0.000 0.277 397 N C -0.476 175.076 175.510 0.071 0.000 1.317 397 N CA 0.498 53.558 53.050 0.017 0.000 0.922 397 N CB 0.270 38.823 38.487 0.110 0.000 1.194 397 N HN 0.451 nan 8.380 nan 0.000 0.485 398 D N 0.558 120.979 120.400 0.034 0.000 2.837 398 D HA -0.252 4.388 4.640 0.001 0.000 0.230 398 D C -0.809 175.597 176.300 0.177 0.000 1.152 398 D CA 1.113 55.171 54.000 0.097 0.000 0.736 398 D CB -1.613 39.255 40.800 0.115 0.000 1.084 398 D HN 0.713 nan 8.370 nan 0.000 0.429 399 Y N -2.581 117.742 120.300 0.038 0.000 2.581 399 Y HA 0.720 5.271 4.550 0.002 0.000 0.337 399 Y C -1.384 174.506 175.900 -0.018 0.000 1.108 399 Y CA -0.820 57.303 58.100 0.039 0.000 1.033 399 Y CB 1.182 39.657 38.460 0.026 0.000 1.318 399 Y HN 0.082 nan 8.280 nan 0.000 0.459 400 A N 2.024 124.924 122.820 0.134 0.000 2.594 400 A HA 0.822 5.143 4.320 0.001 0.000 0.295 400 A C -2.198 175.322 177.584 -0.106 0.000 1.071 400 A CA -0.745 51.166 52.037 -0.210 0.000 0.685 400 A CB 1.656 20.319 19.000 -0.562 0.000 1.285 400 A HN 1.023 nan 8.150 nan 0.000 0.405 401 V N 1.087 120.837 119.914 -0.274 0.000 2.789 401 V HA 0.655 4.776 4.120 0.001 0.000 0.311 401 V C -0.944 175.103 176.094 -0.079 0.000 1.073 401 V CA -0.539 61.783 62.300 0.038 0.000 0.921 401 V CB 1.899 33.801 31.823 0.131 0.000 1.009 401 V HN 0.868 nan 8.190 nan 0.000 0.426 402 W N 1.409 122.785 121.300 0.127 0.000 2.864 402 W HA 0.688 5.348 4.660 0.001 0.000 0.343 402 W C -0.420 176.302 176.519 0.339 0.000 1.109 402 W CA -0.556 56.912 57.345 0.205 0.000 1.192 402 W CB 2.508 32.094 29.460 0.210 0.000 1.426 402 W HN 0.551 nan 8.180 nan 0.000 0.529 403 E N 1.122 121.632 120.200 0.517 0.000 2.343 403 E HA 0.327 4.677 4.350 0.001 0.000 0.270 403 E C -0.418 176.182 176.600 -0.001 0.000 0.895 403 E CA -0.967 55.613 56.400 0.299 0.000 0.767 403 E CB 3.280 33.069 29.700 0.149 0.000 1.248 403 E HN 0.140 nan 8.360 nan 0.000 0.440 404 K N 0.000 120.193 120.400 -0.344 0.000 2.780 404 K HA 0.000 4.321 4.320 0.001 0.000 0.191 404 K CA 0.000 55.994 56.287 -0.489 0.000 0.838 404 K CB 0.000 32.126 32.500 -0.624 0.000 1.064 404 K HN 0.000 nan 8.250 nan 0.000 0.543