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 2b12_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHTSGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE ADYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.684 174.700 -0.027 0.000 1.109 1 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 1 T CB 0.000 68.856 68.868 -0.019 0.000 0.612 2 T N 4.307 118.842 114.554 -0.031 0.000 2.743 2 T HA 0.135 4.486 4.350 0.001 0.000 0.331 2 T C -1.718 172.952 174.700 -0.051 0.000 1.027 2 T CA 0.233 62.309 62.100 -0.040 0.000 1.144 2 T CB 0.252 69.094 68.868 -0.045 0.000 1.089 2 T HN 0.493 nan 8.240 nan 0.000 0.493 3 P HA 0.383 nan 4.420 nan 0.000 0.279 3 P C -0.988 176.245 177.300 -0.111 0.000 1.276 3 P CA -0.731 62.325 63.100 -0.074 0.000 0.801 3 P CB 0.398 32.056 31.700 -0.070 0.000 1.127 4 L N 0.484 121.612 121.223 -0.158 0.000 2.369 4 L HA 0.177 4.517 4.340 0.001 0.000 0.279 4 L C 0.667 177.288 176.870 -0.415 0.000 1.108 4 L CA -0.156 54.509 54.840 -0.290 0.000 0.852 4 L CB 0.127 41.964 42.059 -0.371 0.000 1.169 4 L HN 0.082 nan 8.230 nan 0.000 0.452 5 V N 4.754 124.482 119.914 -0.309 0.000 2.372 5 V HA 0.168 4.289 4.120 0.001 0.000 0.261 5 V C 0.010 175.897 176.094 -0.345 0.000 1.055 5 V CA -0.356 61.781 62.300 -0.271 0.000 0.930 5 V CB -0.176 31.556 31.823 -0.151 0.000 1.031 5 V HN 0.590 nan 8.190 nan 0.000 0.479 6 H N 6.250 125.140 119.070 -0.299 0.000 3.004 6 H HA 0.237 4.793 4.556 0.001 0.000 0.267 6 H C 0.130 175.121 175.328 -0.561 0.000 1.165 6 H CA 0.040 55.733 56.048 -0.592 0.000 1.450 6 H CB 1.020 30.178 29.762 -1.006 0.000 1.488 6 H HN 0.667 nan 8.280 nan 0.000 0.478 7 V N 1.161 120.952 119.914 -0.205 0.000 2.530 7 V HA 0.544 4.665 4.120 0.001 0.000 0.282 7 V C 0.775 176.923 176.094 0.090 0.000 1.048 7 V CA -1.132 61.131 62.300 -0.063 0.000 0.997 7 V CB 0.733 32.563 31.823 0.011 0.000 0.987 7 V HN 0.738 nan 8.190 nan 0.000 0.477 8 A N 3.951 126.862 122.820 0.150 0.000 2.320 8 A HA 0.690 5.011 4.320 0.001 0.000 0.287 8 A C 0.340 178.074 177.584 0.250 0.000 1.181 8 A CA -0.200 52.046 52.037 0.347 0.000 0.831 8 A CB 0.664 19.934 19.000 0.450 0.000 1.102 8 A HN 0.988 nan 8.150 nan 0.000 0.513 9 S N 1.359 117.197 115.700 0.231 0.000 2.561 9 S HA 0.483 4.954 4.470 0.001 0.000 0.303 9 S C -0.134 174.556 174.600 0.150 0.000 1.110 9 S CA -0.530 57.767 58.200 0.162 0.000 1.034 9 S CB 1.145 64.433 63.200 0.147 0.000 1.010 9 S HN 0.666 nan 8.310 nan 0.000 0.482 10 V N 3.689 123.687 119.914 0.141 0.000 2.872 10 V HA 0.104 4.225 4.120 0.001 0.000 0.307 10 V C 0.301 176.516 176.094 0.202 0.000 1.072 10 V CA -0.239 62.170 62.300 0.183 0.000 1.148 10 V CB 0.128 32.053 31.823 0.170 0.000 0.954 10 V HN 0.780 nan 8.190 nan 0.000 0.490 11 E N 2.402 122.777 120.200 0.292 0.000 2.299 11 E HA 0.187 4.538 4.350 0.001 0.000 0.272 11 E C 0.088 176.760 176.600 0.121 0.000 1.043 11 E CA -0.501 56.057 56.400 0.264 0.000 0.895 11 E CB 0.129 30.119 29.700 0.483 0.000 1.011 11 E HN 0.498 nan 8.360 nan 0.000 0.432 12 K N 2.913 123.358 120.400 0.075 0.000 2.257 12 K HA -0.213 4.107 4.320 0.001 0.000 0.239 12 K C 0.698 177.268 176.600 -0.049 0.000 1.372 12 K CA 1.216 57.512 56.287 0.015 0.000 1.332 12 K CB -1.314 31.192 32.500 0.009 0.000 0.739 12 K HN 0.819 nan 8.250 nan 0.000 0.534 13 G N 2.731 111.521 108.800 -0.017 0.000 2.198 13 G HA2 -0.340 3.621 3.960 0.001 0.000 0.257 13 G HA3 -0.340 3.621 3.960 0.001 0.000 0.257 13 G C -0.312 174.542 174.900 -0.076 0.000 1.042 13 G CA 0.431 45.509 45.100 -0.037 0.000 0.791 13 G HN 0.596 nan 8.290 nan 0.000 0.502 14 R N 0.059 120.525 120.500 -0.057 0.000 2.532 14 R HA 0.701 5.042 4.340 0.001 0.000 0.295 14 R C 0.627 177.005 176.300 0.129 0.000 0.968 14 R CA 0.034 56.078 56.100 -0.093 0.000 0.916 14 R CB 1.740 31.802 30.300 -0.397 0.000 1.124 14 R HN 0.426 nan 8.270 nan 0.000 0.463 15 S N 1.067 116.825 115.700 0.097 0.000 2.795 15 S HA 0.127 4.597 4.470 0.001 0.000 0.308 15 S C 0.928 175.581 174.600 0.090 0.000 1.098 15 S CA -0.698 57.598 58.200 0.160 0.000 0.934 15 S CB 0.208 63.471 63.200 0.106 0.000 1.300 15 S HN 0.721 nan 8.310 nan 0.000 0.566 16 Y N 1.361 121.478 120.300 -0.305 0.000 2.014 16 Y HA -0.198 4.353 4.550 0.001 0.000 0.272 16 Y C 2.562 178.357 175.900 -0.174 0.000 1.164 16 Y CA 2.647 60.394 58.100 -0.590 0.000 1.114 16 Y CB -0.591 37.598 38.460 -0.452 0.000 0.961 16 Y HN 0.862 nan 8.280 nan 0.000 0.489 17 E N 0.088 120.108 120.200 -0.300 0.000 2.331 17 E HA -0.239 4.112 4.350 0.001 0.000 0.199 17 E C 1.177 177.634 176.600 -0.238 0.000 1.008 17 E CA 1.701 57.891 56.400 -0.351 0.000 0.843 17 E CB -0.321 29.322 29.700 -0.095 0.000 0.761 17 E HN 0.670 nan 8.360 nan 0.000 0.507 18 D N -0.546 119.766 120.400 -0.147 0.000 2.162 18 D HA -0.062 4.578 4.640 0.001 0.000 0.205 18 D C 1.654 177.888 176.300 -0.109 0.000 0.964 18 D CA 0.620 54.564 54.000 -0.094 0.000 0.847 18 D CB -0.495 40.208 40.800 -0.163 0.000 0.988 18 D HN 0.242 nan 8.370 nan 0.000 0.480 19 F N 1.398 121.303 119.950 -0.075 0.000 2.407 19 F HA -0.026 4.501 4.527 0.001 0.000 0.299 19 F C 2.547 177.923 175.800 -0.706 0.000 1.097 19 F CA 0.569 58.479 58.000 -0.150 0.000 1.422 19 F CB -0.026 39.145 39.000 0.284 0.000 1.067 19 F HN -0.145 nan 8.300 nan 0.000 0.539 20 Q N 0.652 120.058 119.800 -0.657 0.000 2.119 20 Q HA -0.156 4.184 4.340 0.001 0.000 0.201 20 Q C 2.047 177.791 176.000 -0.426 0.000 0.972 20 Q CA 1.243 56.526 55.803 -0.866 0.000 0.847 20 Q CB -0.106 28.170 28.738 -0.770 0.000 0.903 20 Q HN 0.393 nan 8.270 nan 0.000 0.433 21 K N -0.338 119.906 120.400 -0.260 0.000 2.228 21 K HA -0.013 4.308 4.320 0.001 0.000 0.202 21 K C 2.010 178.550 176.600 -0.101 0.000 1.051 21 K CA 0.678 56.919 56.287 -0.077 0.000 0.960 21 K CB 0.286 32.824 32.500 0.064 0.000 0.743 21 K HN 0.043 nan 8.250 nan 0.000 0.458 22 V N 0.520 120.224 119.914 -0.349 0.000 2.591 22 V HA -0.210 3.911 4.120 0.001 0.000 0.249 22 V C 1.979 177.854 176.094 -0.364 0.000 1.053 22 V CA 1.242 63.149 62.300 -0.655 0.000 1.068 22 V CB -0.571 30.756 31.823 -0.827 0.000 0.689 22 V HN 0.245 nan 8.190 nan 0.000 0.462 23 Y N 2.030 122.058 120.300 -0.454 0.000 2.133 23 Y HA -0.175 4.376 4.550 0.001 0.000 0.287 23 Y C 2.491 178.265 175.900 -0.211 0.000 1.134 23 Y CA 1.933 59.815 58.100 -0.364 0.000 1.133 23 Y CB -0.323 37.797 38.460 -0.567 0.000 0.987 23 Y HN 0.229 nan 8.280 nan 0.000 0.502 24 N N 0.637 119.357 118.700 0.034 0.000 2.272 24 N HA -0.167 4.574 4.740 0.001 0.000 0.185 24 N C 1.818 177.306 175.510 -0.036 0.000 1.014 24 N CA 1.277 54.345 53.050 0.030 0.000 0.870 24 N CB -0.565 37.950 38.487 0.047 0.000 0.975 24 N HN 0.575 nan 8.380 nan 0.000 0.433 25 A N 1.179 123.972 122.820 -0.045 0.000 1.854 25 A HA 0.022 4.343 4.320 0.001 0.000 0.214 25 A C 2.136 179.679 177.584 -0.070 0.000 1.192 25 A CA 0.609 52.642 52.037 -0.006 0.000 0.611 25 A CB -0.589 18.484 19.000 0.122 0.000 0.832 25 A HN 0.266 nan 8.150 nan 0.000 0.442 26 I N -0.444 120.050 120.570 -0.127 0.000 3.001 26 I HA -0.117 4.054 4.170 0.001 0.000 0.268 26 I C 2.205 178.294 176.117 -0.046 0.000 1.267 26 I CA 1.082 62.323 61.300 -0.097 0.000 1.472 26 I CB -0.169 37.775 38.000 -0.093 0.000 1.089 26 I HN 0.340 nan 8.210 nan 0.000 0.468 27 A N 0.327 123.053 122.820 -0.155 0.000 2.030 27 A HA 0.026 4.346 4.320 0.001 0.000 0.215 27 A C 2.115 179.683 177.584 -0.027 0.000 1.164 27 A CA 0.418 52.366 52.037 -0.149 0.000 0.697 27 A CB -0.277 18.549 19.000 -0.290 0.000 0.827 27 A HN 0.440 nan 8.150 nan 0.000 0.457 28 L N -0.754 120.458 121.223 -0.019 0.000 2.131 28 L HA -0.043 4.298 4.340 0.001 0.000 0.206 28 L C 2.492 179.379 176.870 0.029 0.000 1.087 28 L CA 1.506 56.351 54.840 0.009 0.000 0.767 28 L CB -0.173 41.886 42.059 -0.000 0.000 0.917 28 L HN 0.392 nan 8.230 nan 0.000 0.441 29 K N 0.294 120.701 120.400 0.011 0.000 2.228 29 K HA -0.100 4.220 4.320 0.001 0.000 0.202 29 K C 2.117 178.867 176.600 0.251 0.000 1.051 29 K CA 0.648 56.934 56.287 -0.001 0.000 0.960 29 K CB 0.183 32.503 32.500 -0.300 0.000 0.743 29 K HN 0.237 nan 8.250 nan 0.000 0.458 30 L N 0.567 121.976 121.223 0.310 0.000 2.056 30 L HA -0.132 4.209 4.340 0.001 0.000 0.207 30 L C 2.723 179.709 176.870 0.192 0.000 1.078 30 L CA 1.137 56.160 54.840 0.305 0.000 0.749 30 L CB -0.227 41.917 42.059 0.142 0.000 0.901 30 L HN 0.244 nan 8.230 nan 0.000 0.433 31 R N -0.316 120.261 120.500 0.128 0.000 2.075 31 R HA -0.217 4.123 4.340 0.001 0.000 0.232 31 R C 2.106 178.471 176.300 0.108 0.000 1.126 31 R CA 1.686 57.845 56.100 0.098 0.000 0.963 31 R CB 0.054 30.395 30.300 0.069 0.000 0.858 31 R HN 0.246 nan 8.270 nan 0.000 0.435 32 E N 0.337 120.602 120.200 0.109 0.000 2.076 32 E HA -0.085 4.266 4.350 0.001 0.000 0.190 32 E C -0.181 176.495 176.600 0.127 0.000 0.979 32 E CA 0.946 57.406 56.400 0.099 0.000 0.807 32 E CB 0.248 29.987 29.700 0.065 0.000 0.761 32 E HN 0.163 nan 8.360 nan 0.000 0.454 33 D N 0.767 121.285 120.400 0.196 0.000 2.896 33 D HA 0.014 4.655 4.640 0.001 0.000 0.240 33 D C -0.334 176.099 176.300 0.222 0.000 1.193 33 D CA 0.134 54.279 54.000 0.242 0.000 0.983 33 D CB 0.148 41.173 40.800 0.376 0.000 1.074 33 D HN 0.354 nan 8.370 nan 0.000 0.496 34 D N -1.068 119.406 120.400 0.123 0.000 2.349 34 D HA -0.085 4.556 4.640 0.001 0.000 0.224 34 D C 1.223 177.472 176.300 -0.085 0.000 1.029 34 D CA 0.381 54.426 54.000 0.074 0.000 0.879 34 D CB 0.285 41.155 40.800 0.117 0.000 0.906 34 D HN 0.165 nan 8.370 nan 0.000 0.528 35 E N -0.259 119.838 120.200 -0.173 0.000 2.072 35 E HA -0.154 4.197 4.350 0.001 0.000 0.190 35 E C 0.113 176.454 176.600 -0.433 0.000 0.982 35 E CA 0.187 56.287 56.400 -0.500 0.000 0.803 35 E CB -0.312 29.216 29.700 -0.287 0.000 0.755 35 E HN 0.393 nan 8.360 nan 0.000 0.453 36 Y N 2.867 122.947 120.300 -0.367 0.000 3.032 36 Y HA -0.227 4.324 4.550 0.001 0.000 0.344 36 Y C 0.288 175.991 175.900 -0.328 0.000 1.273 36 Y CA 0.647 58.492 58.100 -0.425 0.000 1.588 36 Y CB -0.007 37.951 38.460 -0.836 0.000 1.209 36 Y HN 0.089 nan 8.280 nan 0.000 0.597 37 D N 5.229 125.132 120.400 -0.828 0.000 2.735 37 D HA -0.304 4.337 4.640 0.001 0.000 0.235 37 D C -0.370 175.753 176.300 -0.296 0.000 1.175 37 D CA 1.422 55.014 54.000 -0.679 0.000 0.683 37 D CB -1.375 38.797 40.800 -1.047 0.000 1.008 37 D HN 0.823 nan 8.370 nan 0.000 0.416 38 N N 0.705 119.296 118.700 -0.182 0.000 2.714 38 N HA -0.299 4.441 4.740 0.001 0.000 0.253 38 N C -0.029 175.579 175.510 0.164 0.000 1.024 38 N CA 1.313 54.373 53.050 0.015 0.000 0.726 38 N CB -1.376 37.141 38.487 0.048 0.000 0.908 38 N HN 0.700 nan 8.380 nan 0.000 0.542 39 Y N -3.637 116.624 120.300 -0.065 0.000 4.841 39 Y HA -0.304 4.247 4.550 0.001 0.000 0.242 39 Y C 1.649 177.528 175.900 -0.034 0.000 1.002 39 Y CA 0.941 59.021 58.100 -0.033 0.000 2.011 39 Y CB -2.027 36.428 38.460 -0.008 0.000 1.554 39 Y HN 0.407 nan 8.280 nan 0.000 0.618 40 I N -0.139 120.429 120.570 -0.004 0.000 2.286 40 I HA 0.099 4.270 4.170 0.001 0.000 0.245 40 I C 1.615 177.732 176.117 -0.001 0.000 1.104 40 I CA 1.358 62.654 61.300 -0.007 0.000 1.397 40 I CB -0.350 37.616 38.000 -0.057 0.000 1.072 40 I HN 0.482 nan 8.210 nan 0.000 0.417 41 G N -0.547 108.228 108.800 -0.042 0.000 2.663 41 G HA2 -0.248 3.713 3.960 0.001 0.000 0.686 41 G HA3 -0.248 3.713 3.960 0.001 0.000 0.686 41 G C -0.412 174.544 174.900 0.094 0.000 1.246 41 G CA -0.660 44.462 45.100 0.036 0.000 0.795 41 G HN 0.038 nan 8.290 nan 0.000 0.627 42 Y N 1.751 122.090 120.300 0.066 0.000 2.632 42 Y HA 0.180 4.731 4.550 0.001 0.000 0.301 42 Y C 2.595 178.324 175.900 -0.285 0.000 1.172 42 Y CA 1.742 59.730 58.100 -0.188 0.000 1.328 42 Y CB -0.035 37.954 38.460 -0.786 0.000 1.016 42 Y HN 0.793 nan 8.280 nan 0.000 0.529 43 G N 0.902 109.694 108.800 -0.014 0.000 2.484 43 G HA2 -0.200 3.761 3.960 0.001 0.000 0.215 43 G HA3 -0.200 3.761 3.960 0.001 0.000 0.215 43 G C -0.486 174.406 174.900 -0.014 0.000 1.219 43 G CA 0.546 45.621 45.100 -0.042 0.000 0.791 43 G HN 0.230 nan 8.290 nan 0.000 0.550 44 P HA -0.002 nan 4.420 nan 0.000 0.223 44 P C 1.649 178.997 177.300 0.079 0.000 1.144 44 P CA 0.415 63.551 63.100 0.060 0.000 0.783 44 P CB 0.139 31.890 31.700 0.085 0.000 0.771 45 V N -1.557 118.407 119.914 0.082 0.000 3.506 45 V HA -0.013 4.107 4.120 0.001 0.000 0.263 45 V C 1.724 177.810 176.094 -0.013 0.000 1.203 45 V CA 0.819 63.164 62.300 0.075 0.000 1.133 45 V CB -0.549 31.377 31.823 0.171 0.000 0.802 45 V HN -0.033 nan 8.190 nan 0.000 0.459 46 L N -0.089 121.106 121.223 -0.047 0.000 2.179 46 L HA -0.001 4.339 4.340 0.001 0.000 0.208 46 L C 2.461 179.340 176.870 0.014 0.000 1.096 46 L CA 2.101 56.897 54.840 -0.073 0.000 0.779 46 L CB -0.431 41.557 42.059 -0.119 0.000 0.922 46 L HN 0.392 nan 8.230 nan 0.000 0.443 47 V N -2.162 117.784 119.914 0.055 0.000 2.453 47 V HA -0.146 3.975 4.120 0.001 0.000 0.247 47 V C 2.604 178.847 176.094 0.247 0.000 1.048 47 V CA 1.429 63.820 62.300 0.152 0.000 1.049 47 V CB -0.957 30.895 31.823 0.048 0.000 0.672 47 V HN 0.384 nan 8.190 nan 0.000 0.457 48 R N 0.672 121.268 120.500 0.160 0.000 2.148 48 R HA -0.015 4.326 4.340 0.001 0.000 0.227 48 R C 1.902 178.191 176.300 -0.019 0.000 1.103 48 R CA 1.681 57.875 56.100 0.157 0.000 0.983 48 R CB -0.780 29.554 30.300 0.057 0.000 0.874 48 R HN 0.526 nan 8.270 nan 0.000 0.451 49 L N -0.110 121.066 121.223 -0.077 0.000 2.068 49 L HA 0.253 4.594 4.340 0.001 0.000 0.204 49 L C 2.094 178.894 176.870 -0.116 0.000 1.076 49 L CA 1.941 56.630 54.840 -0.252 0.000 0.753 49 L CB -0.795 41.049 42.059 -0.359 0.000 0.910 49 L HN 0.243 nan 8.230 nan 0.000 0.439 50 A N -0.706 122.156 122.820 0.070 0.000 2.125 50 A HA -0.226 4.095 4.320 0.001 0.000 0.219 50 A C 2.127 179.857 177.584 0.244 0.000 1.156 50 A CA 1.505 53.642 52.037 0.166 0.000 0.671 50 A CB -1.059 18.107 19.000 0.276 0.000 0.794 50 A HN 0.816 nan 8.150 nan 0.000 0.459 51 W N -0.897 120.505 121.300 0.170 0.000 2.580 51 W HA -0.031 4.630 4.660 0.001 0.000 0.287 51 W C 1.227 177.893 176.519 0.245 0.000 1.175 51 W CA 1.127 58.605 57.345 0.222 0.000 1.409 51 W CB -0.436 29.208 29.460 0.307 0.000 1.101 51 W HN 0.417 nan 8.180 nan 0.000 0.558 52 H N 1.374 120.096 119.070 -0.579 0.000 2.567 52 H HA -0.038 4.519 4.556 0.001 0.000 0.276 52 H C 1.920 177.032 175.328 -0.361 0.000 1.016 52 H CA 1.841 57.459 56.048 -0.717 0.000 1.186 52 H CB -0.270 29.182 29.762 -0.517 0.000 1.351 52 H HN 0.172 nan 8.280 nan 0.000 0.605 53 T N -5.215 109.273 114.554 -0.111 0.000 3.084 53 T HA 0.235 4.585 4.350 0.001 0.000 0.270 53 T C 1.404 176.130 174.700 0.044 0.000 1.008 53 T CA 0.126 62.223 62.100 -0.005 0.000 0.900 53 T CB 0.250 69.148 68.868 0.051 0.000 1.084 53 T HN 0.028 nan 8.240 nan 0.000 0.538 54 S N -0.002 115.711 115.700 0.023 0.000 2.589 54 S HA 0.349 4.819 4.470 0.001 0.000 0.235 54 S C 1.827 176.496 174.600 0.116 0.000 1.051 54 S CA 0.094 58.332 58.200 0.064 0.000 0.978 54 S CB 0.393 63.629 63.200 0.060 0.000 0.929 54 S HN 0.631 nan 8.310 nan 0.000 0.523 55 G N 1.851 110.648 108.800 -0.004 0.000 3.088 55 G HA2 0.030 3.991 3.960 0.001 0.000 0.212 55 G HA3 0.030 3.991 3.960 0.001 0.000 0.212 55 G C 1.198 176.092 174.900 -0.011 0.000 1.173 55 G CA 0.894 45.987 45.100 -0.012 0.000 0.779 55 G HN 0.550 nan 8.290 nan 0.000 0.540 56 T N -3.650 110.921 114.554 0.028 0.000 3.054 56 T HA -0.016 4.335 4.350 0.001 0.000 0.259 56 T C 0.981 175.774 174.700 0.156 0.000 1.092 56 T CA -0.584 61.555 62.100 0.065 0.000 1.121 56 T CB -0.021 68.892 68.868 0.075 0.000 0.912 56 T HN 0.185 nan 8.240 nan 0.000 0.489 57 W N 2.772 124.068 121.300 -0.007 0.000 2.209 57 W HA 0.408 5.069 4.660 0.001 0.000 0.344 57 W C -0.433 176.063 176.519 -0.039 0.000 1.285 57 W CA 0.166 57.504 57.345 -0.012 0.000 1.267 57 W CB 0.318 29.769 29.460 -0.015 0.000 1.167 57 W HN 0.032 nan 8.180 nan 0.000 0.574 58 D N 3.059 123.015 120.400 -0.741 0.000 2.780 58 D HA 0.135 4.776 4.640 0.001 0.000 0.242 58 D C 0.676 176.000 176.300 -1.626 0.000 1.135 58 D CA -0.510 52.992 54.000 -0.830 0.000 0.859 58 D CB 1.853 42.406 40.800 -0.412 0.000 1.530 58 D HN 0.523 nan 8.370 nan 0.000 0.493 59 K N 1.773 121.286 120.400 -1.479 0.000 2.186 59 K HA -0.033 4.287 4.320 0.001 0.000 0.202 59 K C 1.067 177.234 176.600 -0.722 0.000 1.052 59 K CA 0.870 56.346 56.287 -1.351 0.000 0.965 59 K CB -0.126 31.860 32.500 -0.857 0.000 0.746 59 K HN 0.426 nan 8.250 nan 0.000 0.457 60 H N 1.690 120.532 119.070 -0.379 0.000 2.457 60 H HA -0.064 4.493 4.556 0.001 0.000 0.294 60 H C 0.653 175.865 175.328 -0.194 0.000 1.064 60 H CA 1.347 57.261 56.048 -0.223 0.000 1.330 60 H CB 0.103 29.762 29.762 -0.171 0.000 1.395 60 H HN 0.553 nan 8.280 nan 0.000 0.541 61 D N -1.484 118.820 120.400 -0.160 0.000 2.636 61 D HA -0.047 4.594 4.640 0.001 0.000 0.270 61 D C -0.051 176.170 176.300 -0.131 0.000 1.430 61 D CA -0.309 53.619 54.000 -0.119 0.000 0.796 61 D CB -0.807 39.955 40.800 -0.063 0.000 1.117 61 D HN 0.140 nan 8.370 nan 0.000 0.480 62 N N 0.347 118.923 118.700 -0.208 0.000 2.686 62 N HA -0.195 4.545 4.740 0.001 0.000 0.249 62 N C -0.907 174.652 175.510 0.083 0.000 1.082 62 N CA 1.227 54.252 53.050 -0.042 0.000 0.725 62 N CB -0.904 37.630 38.487 0.078 0.000 1.009 62 N HN 0.408 nan 8.380 nan 0.000 0.545 63 T N -0.570 113.965 114.554 -0.032 0.000 2.771 63 T HA 0.595 4.945 4.350 0.001 0.000 0.281 63 T C 0.554 175.323 174.700 0.116 0.000 0.982 63 T CA 0.708 62.860 62.100 0.086 0.000 0.978 63 T CB 1.243 70.138 68.868 0.044 0.000 0.930 63 T HN 0.677 nan 8.240 nan 0.000 0.447 64 G N 2.977 111.912 108.800 0.224 0.000 2.408 64 G HA2 0.430 4.391 3.960 0.001 0.000 0.204 64 G HA3 0.430 4.391 3.960 0.001 0.000 0.204 64 G C 0.331 175.426 174.900 0.325 0.000 1.186 64 G CA 0.046 45.288 45.100 0.236 0.000 1.139 64 G HN 2.131 nan 8.290 nan 0.000 0.563 65 G N -2.099 106.889 108.800 0.313 0.000 2.698 65 G HA2 0.341 4.302 3.960 0.001 0.000 0.225 65 G HA3 0.341 4.302 3.960 0.001 0.000 0.225 65 G C 0.980 175.937 174.900 0.095 0.000 1.345 65 G CA 1.186 46.391 45.100 0.174 0.000 0.871 65 G HN 2.450 nan 8.290 nan 0.000 0.540 66 S N -1.398 114.314 115.700 0.019 0.000 2.556 66 S HA 0.243 4.713 4.470 0.001 0.000 0.216 66 S C 1.476 176.092 174.600 0.025 0.000 0.970 66 S CA 0.913 59.136 58.200 0.038 0.000 0.912 66 S CB 0.035 63.238 63.200 0.005 0.000 0.790 66 S HN 0.878 nan 8.310 nan 0.000 0.504 67 Y N 2.920 123.138 120.300 -0.137 0.000 2.079 67 Y HA 0.058 4.608 4.550 0.001 0.000 0.267 67 Y C 2.551 178.372 175.900 -0.132 0.000 1.104 67 Y CA 1.885 59.871 58.100 -0.189 0.000 1.086 67 Y CB -0.950 37.273 38.460 -0.395 0.000 0.989 67 Y HN 0.359 nan 8.280 nan 0.000 0.477 68 G N -0.856 107.918 108.800 -0.043 0.000 2.586 68 G HA2 0.025 3.985 3.960 0.001 0.000 0.215 68 G HA3 0.025 3.985 3.960 0.001 0.000 0.215 68 G C 1.056 175.947 174.900 -0.016 0.000 1.128 68 G CA 0.564 45.644 45.100 -0.033 0.000 0.774 68 G HN 1.009 nan 8.290 nan 0.000 0.543 69 G N 0.355 109.127 108.800 -0.046 0.000 2.350 69 G HA2 -0.203 3.757 3.960 0.001 0.000 0.298 69 G HA3 -0.203 3.757 3.960 0.001 0.000 0.298 69 G C 0.769 175.769 174.900 0.166 0.000 1.037 69 G CA 0.922 45.984 45.100 -0.063 0.000 1.074 69 G HN 1.285 nan 8.290 nan 0.000 0.511 70 T N -2.798 111.919 114.554 0.271 0.000 3.406 70 T HA 0.269 4.620 4.350 0.001 0.000 0.244 70 T C 1.250 176.136 174.700 0.311 0.000 0.949 70 T CA 0.534 62.843 62.100 0.348 0.000 0.926 70 T CB -0.034 69.098 68.868 0.440 0.000 1.089 70 T HN 0.627 nan 8.240 nan 0.000 0.604 71 Y N 2.249 122.645 120.300 0.160 0.000 2.436 71 Y HA 0.204 4.754 4.550 0.001 0.000 0.288 71 Y C 2.381 178.326 175.900 0.075 0.000 1.112 71 Y CA 0.137 58.233 58.100 -0.006 0.000 1.220 71 Y CB 0.081 38.267 38.460 -0.457 0.000 1.073 71 Y HN 0.307 nan 8.280 nan 0.000 0.552 72 R N -0.524 119.949 120.500 -0.045 0.000 2.193 72 R HA -0.111 4.230 4.340 0.001 0.000 0.229 72 R C -0.477 175.823 176.300 -0.001 0.000 1.110 72 R CA 0.681 56.806 56.100 0.042 0.000 0.988 72 R CB -1.083 29.166 30.300 -0.085 0.000 0.871 72 R HN 0.197 nan 8.270 nan 0.000 0.458 73 F N 2.739 122.777 119.950 0.147 0.000 2.421 73 F HA 0.263 4.791 4.527 0.001 0.000 0.358 73 F C 1.537 177.365 175.800 0.046 0.000 1.115 73 F CA -1.446 56.606 58.000 0.087 0.000 1.160 73 F CB 1.305 40.357 39.000 0.086 0.000 1.123 73 F HN -0.151 nan 8.300 nan 0.000 0.508 74 K N 2.913 123.415 120.400 0.171 0.000 2.169 74 K HA -0.318 4.002 4.320 0.001 0.000 0.213 74 K C 1.980 178.620 176.600 0.066 0.000 1.050 74 K CA 1.804 58.102 56.287 0.019 0.000 0.935 74 K CB -0.026 32.448 32.500 -0.043 0.000 0.722 74 K HN 0.634 nan 8.250 nan 0.000 0.468 75 K N 0.231 120.693 120.400 0.103 0.000 2.032 75 K HA -0.168 4.153 4.320 0.001 0.000 0.209 75 K C 2.018 178.689 176.600 0.118 0.000 1.048 75 K CA 1.398 57.741 56.287 0.094 0.000 0.927 75 K CB -0.009 32.544 32.500 0.089 0.000 0.712 75 K HN 0.176 nan 8.250 nan 0.000 0.441 76 E N -0.084 120.203 120.200 0.145 0.000 2.076 76 E HA -0.115 4.235 4.350 0.001 0.000 0.190 76 E C 1.787 178.485 176.600 0.164 0.000 0.979 76 E CA 0.495 56.986 56.400 0.152 0.000 0.807 76 E CB -0.315 29.490 29.700 0.175 0.000 0.761 76 E HN 0.189 nan 8.360 nan 0.000 0.454 77 F N 2.408 122.274 119.950 -0.141 0.000 2.120 77 F HA -0.156 4.372 4.527 0.001 0.000 0.300 77 F C 1.330 177.123 175.800 -0.012 0.000 1.095 77 F CA 1.332 59.184 58.000 -0.247 0.000 1.249 77 F CB -0.036 38.792 39.000 -0.288 0.000 0.995 77 F HN -0.019 nan 8.300 nan 0.000 0.480 78 N N 0.835 119.742 118.700 0.345 0.000 2.376 78 N HA -0.007 4.734 4.740 0.001 0.000 0.249 78 N C -0.708 174.902 175.510 0.167 0.000 1.140 78 N CA 0.006 53.209 53.050 0.256 0.000 0.870 78 N CB -0.283 38.301 38.487 0.162 0.000 1.124 78 N HN 0.265 nan 8.380 nan 0.000 0.505 79 D N 1.103 121.602 120.400 0.165 0.000 2.351 79 D HA 0.144 4.784 4.640 0.001 0.000 0.251 79 D C -1.465 174.911 176.300 0.126 0.000 1.137 79 D CA -1.875 52.199 54.000 0.124 0.000 0.879 79 D CB 1.672 42.539 40.800 0.112 0.000 1.181 79 D HN -0.053 nan 8.370 nan 0.000 0.448 80 P HA -0.194 nan 4.420 nan 0.000 0.216 80 P C 1.069 178.445 177.300 0.126 0.000 1.157 80 P CA 1.744 64.908 63.100 0.107 0.000 0.880 80 P CB 0.044 31.798 31.700 0.089 0.000 0.791 81 S N -2.490 113.282 115.700 0.120 0.000 2.522 81 S HA -0.021 4.450 4.470 0.001 0.000 0.227 81 S C 1.597 176.332 174.600 0.224 0.000 0.986 81 S CA 0.799 59.091 58.200 0.153 0.000 0.929 81 S CB -0.971 62.284 63.200 0.091 0.000 0.769 81 S HN 0.065 nan 8.310 nan 0.000 0.529 82 N N 1.700 120.517 118.700 0.195 0.000 2.336 82 N HA 0.408 5.149 4.740 0.001 0.000 0.189 82 N C 0.130 175.739 175.510 0.164 0.000 1.113 82 N CA 0.279 53.468 53.050 0.231 0.000 0.858 82 N CB 0.215 38.837 38.487 0.225 0.000 0.970 82 N HN 0.556 nan 8.380 nan 0.000 0.471 83 A N -0.597 122.312 122.820 0.149 0.000 2.488 83 A HA 0.495 4.815 4.320 0.001 0.000 0.249 83 A C 1.454 179.092 177.584 0.090 0.000 1.083 83 A CA 0.642 52.752 52.037 0.122 0.000 0.768 83 A CB -0.281 18.793 19.000 0.124 0.000 1.017 83 A HN 0.415 nan 8.150 nan 0.000 0.496 84 G N 0.977 109.816 108.800 0.065 0.000 2.339 84 G HA2 -0.187 3.774 3.960 0.001 0.000 0.209 84 G HA3 -0.187 3.774 3.960 0.001 0.000 0.209 84 G C 0.678 175.592 174.900 0.023 0.000 1.015 84 G CA 0.205 45.329 45.100 0.040 0.000 0.635 84 G HN 0.687 nan 8.290 nan 0.000 0.499 85 L N 2.046 123.259 121.223 -0.016 0.000 2.349 85 L HA 0.015 4.355 4.340 0.001 0.000 0.220 85 L C 2.685 179.519 176.870 -0.060 0.000 1.130 85 L CA 2.359 57.139 54.840 -0.101 0.000 0.791 85 L CB -1.212 40.691 42.059 -0.260 0.000 0.918 85 L HN 0.631 nan 8.230 nan 0.000 0.444 86 Q N -0.115 119.664 119.800 -0.035 0.000 2.217 86 Q HA -0.242 4.098 4.340 0.001 0.000 0.209 86 Q C 1.791 177.828 176.000 0.061 0.000 0.988 86 Q CA 1.475 57.248 55.803 -0.049 0.000 0.878 86 Q CB 0.125 28.843 28.738 -0.032 0.000 0.909 86 Q HN 0.607 nan 8.270 nan 0.000 0.424 87 N N -0.630 118.108 118.700 0.062 0.000 2.188 87 N HA -0.109 4.632 4.740 0.001 0.000 0.184 87 N C 1.706 177.246 175.510 0.051 0.000 1.018 87 N CA 1.295 54.395 53.050 0.083 0.000 0.858 87 N CB -0.310 38.236 38.487 0.098 0.000 0.989 87 N HN 0.337 nan 8.380 nan 0.000 0.426 88 G N 0.144 108.955 108.800 0.018 0.000 2.443 88 G HA2 -0.193 3.767 3.960 0.001 0.000 0.219 88 G HA3 -0.193 3.767 3.960 0.001 0.000 0.219 88 G C 1.251 176.165 174.900 0.023 0.000 1.131 88 G CA 0.019 45.084 45.100 -0.059 0.000 0.775 88 G HN 0.186 nan 8.290 nan 0.000 0.547 89 F N 1.502 121.385 119.950 -0.111 0.000 2.149 89 F HA 0.202 4.729 4.527 0.001 0.000 0.294 89 F C 2.330 178.123 175.800 -0.012 0.000 1.095 89 F CA 0.763 58.739 58.000 -0.041 0.000 1.276 89 F CB -0.233 38.792 39.000 0.041 0.000 1.023 89 F HN -0.069 nan 8.300 nan 0.000 0.480 90 K N 0.030 120.529 120.400 0.164 0.000 2.152 90 K HA -0.209 4.112 4.320 0.001 0.000 0.206 90 K C 2.060 178.631 176.600 -0.048 0.000 1.048 90 K CA 1.265 57.557 56.287 0.008 0.000 0.933 90 K CB -1.363 31.131 32.500 -0.010 0.000 0.721 90 K HN 0.370 nan 8.250 nan 0.000 0.447 91 F N 0.066 119.830 119.950 -0.309 0.000 2.163 91 F HA -0.128 4.400 4.527 0.001 0.000 0.297 91 F C 1.594 177.248 175.800 -0.244 0.000 1.094 91 F CA 0.893 58.589 58.000 -0.506 0.000 1.290 91 F CB 0.013 38.450 39.000 -0.937 0.000 1.017 91 F HN -0.101 nan 8.300 nan 0.000 0.483 92 L N 1.239 122.513 121.223 0.086 0.000 2.217 92 L HA -0.125 4.216 4.340 0.001 0.000 0.211 92 L C 2.505 179.407 176.870 0.054 0.000 1.107 92 L CA 1.816 56.690 54.840 0.057 0.000 0.783 92 L CB -1.495 40.647 42.059 0.138 0.000 0.919 92 L HN 0.452 nan 8.230 nan 0.000 0.442 93 E N 0.148 120.433 120.200 0.143 0.000 2.204 93 E HA -0.190 4.161 4.350 0.001 0.000 0.195 93 E C -0.920 175.721 176.600 0.068 0.000 0.990 93 E CA 0.831 57.332 56.400 0.170 0.000 0.821 93 E CB -0.918 28.866 29.700 0.139 0.000 0.750 93 E HN 0.304 nan 8.360 nan 0.000 0.477 94 P HA 0.054 nan 4.420 nan 0.000 0.241 94 P C 0.875 178.155 177.300 -0.033 0.000 1.191 94 P CA 0.807 63.871 63.100 -0.061 0.000 0.771 94 P CB 0.043 31.663 31.700 -0.133 0.000 0.929 95 I N -2.694 117.869 120.570 -0.010 0.000 3.427 95 I HA -0.031 4.139 4.170 0.001 0.000 0.288 95 I C 2.027 178.264 176.117 0.200 0.000 1.249 95 I CA 0.577 61.924 61.300 0.078 0.000 1.421 95 I CB -0.520 37.471 38.000 -0.014 0.000 1.086 95 I HN 0.057 nan 8.210 nan 0.000 0.448 96 H N 1.838 120.930 119.070 0.036 0.000 2.548 96 H HA 0.029 4.586 4.556 0.001 0.000 0.265 96 H C 2.050 177.388 175.328 0.016 0.000 0.969 96 H CA 0.293 56.359 56.048 0.030 0.000 1.155 96 H CB 0.544 30.347 29.762 0.069 0.000 1.394 96 H HN 0.148 nan 8.280 nan 0.000 0.570 97 K N 0.877 121.327 120.400 0.085 0.000 2.353 97 K HA -0.043 4.277 4.320 0.001 0.000 0.195 97 K C 1.242 177.817 176.600 -0.043 0.000 1.031 97 K CA 0.452 56.736 56.287 -0.004 0.000 1.079 97 K CB 0.566 33.059 32.500 -0.012 0.000 0.857 97 K HN 0.334 nan 8.250 nan 0.000 0.535 98 E N -0.289 119.883 120.200 -0.045 0.000 2.307 98 E HA 0.077 4.427 4.350 0.001 0.000 0.195 98 E C -0.733 175.613 176.600 -0.422 0.000 0.975 98 E CA 0.071 56.337 56.400 -0.224 0.000 0.878 98 E CB 0.375 29.944 29.700 -0.219 0.000 0.845 98 E HN 0.184 nan 8.360 nan 0.000 0.488 99 F N 1.105 121.005 119.950 -0.083 0.000 2.686 99 F HA 0.328 4.856 4.527 0.001 0.000 0.365 99 F C -2.001 173.644 175.800 -0.258 0.000 1.196 99 F CA -1.906 55.945 58.000 -0.248 0.000 1.198 99 F CB 1.986 40.669 39.000 -0.528 0.000 1.454 99 F HN -0.036 nan 8.300 nan 0.000 0.539 100 P HA -0.096 nan 4.420 nan 0.000 0.231 100 P C 1.517 178.833 177.300 0.027 0.000 1.168 100 P CA 0.955 64.032 63.100 -0.039 0.000 0.779 100 P CB 0.034 31.733 31.700 -0.001 0.000 0.844 101 W N 0.429 121.773 121.300 0.074 0.000 2.402 101 W HA 0.077 4.738 4.660 0.001 0.000 0.286 101 W C 0.896 177.479 176.519 0.107 0.000 1.221 101 W CA -0.321 57.065 57.345 0.069 0.000 1.257 101 W CB -1.602 27.889 29.460 0.052 0.000 1.120 101 W HN -0.191 nan 8.180 nan 0.000 0.551 102 I N 3.944 124.254 120.570 -0.433 0.000 2.752 102 I HA -0.051 4.120 4.170 0.001 0.000 0.287 102 I C 0.828 176.945 176.117 -0.000 0.000 1.188 102 I CA 0.176 61.248 61.300 -0.380 0.000 1.427 102 I CB 0.881 38.413 38.000 -0.779 0.000 1.365 102 I HN -0.128 nan 8.210 nan 0.000 0.585 103 S N 4.679 120.391 115.700 0.021 0.000 2.592 103 S HA 0.148 4.618 4.470 0.001 0.000 0.271 103 S C 1.039 175.524 174.600 -0.192 0.000 1.326 103 S CA -0.738 57.446 58.200 -0.027 0.000 1.024 103 S CB 1.616 64.775 63.200 -0.068 0.000 0.921 103 S HN 0.736 nan 8.310 nan 0.000 0.527 104 S N 2.173 117.714 115.700 -0.264 0.000 2.359 104 S HA -0.068 4.403 4.470 0.001 0.000 0.224 104 S C 2.180 175.959 174.600 -1.367 0.000 1.035 104 S CA 1.512 59.296 58.200 -0.694 0.000 1.018 104 S CB -1.033 61.909 63.200 -0.430 0.000 0.876 104 S HN 0.944 nan 8.310 nan 0.000 0.448 105 G N 1.012 109.317 108.800 -0.826 0.000 2.418 105 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 105 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 105 G C 1.041 175.715 174.900 -0.377 0.000 1.158 105 G CA 0.929 45.640 45.100 -0.649 0.000 0.771 105 G HN 0.389 nan 8.290 nan 0.000 0.545 106 D N -0.478 119.797 120.400 -0.207 0.000 2.263 106 D HA -0.040 4.601 4.640 0.001 0.000 0.208 106 D C 2.220 178.560 176.300 0.067 0.000 0.971 106 D CA 0.292 54.356 54.000 0.108 0.000 0.867 106 D CB 0.069 40.999 40.800 0.217 0.000 0.929 106 D HN 0.266 nan 8.370 nan 0.000 0.492 107 L N -1.083 120.009 121.223 -0.219 0.000 2.202 107 L HA 0.149 4.489 4.340 0.001 0.000 0.205 107 L C 1.766 178.605 176.870 -0.051 0.000 1.083 107 L CA 0.983 55.691 54.840 -0.220 0.000 0.790 107 L CB -0.268 41.560 42.059 -0.385 0.000 0.942 107 L HN 0.012 nan 8.230 nan 0.000 0.452 108 F N -0.826 119.033 119.950 -0.152 0.000 2.206 108 F HA -0.165 4.362 4.527 0.001 0.000 0.298 108 F C 2.693 178.440 175.800 -0.088 0.000 1.090 108 F CA 0.621 58.527 58.000 -0.157 0.000 1.323 108 F CB -0.654 38.237 39.000 -0.181 0.000 1.028 108 F HN 0.253 nan 8.300 nan 0.000 0.492 109 S N 0.937 116.724 115.700 0.146 0.000 2.355 109 S HA -0.192 4.279 4.470 0.001 0.000 0.222 109 S C 1.834 176.425 174.600 -0.015 0.000 1.031 109 S CA 0.873 59.139 58.200 0.111 0.000 0.993 109 S CB -0.912 62.426 63.200 0.229 0.000 0.859 109 S HN 0.292 nan 8.310 nan 0.000 0.453 110 L N 2.698 123.806 121.223 -0.192 0.000 2.275 110 L HA 0.272 4.612 4.340 0.001 0.000 0.215 110 L C 2.281 179.027 176.870 -0.207 0.000 1.119 110 L CA 1.434 55.975 54.840 -0.498 0.000 0.790 110 L CB -1.360 40.290 42.059 -0.682 0.000 0.919 110 L HN 0.415 nan 8.230 nan 0.000 0.443 111 G N -0.829 107.920 108.800 -0.084 0.000 2.421 111 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 111 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 111 G C 1.480 176.376 174.900 -0.007 0.000 1.171 111 G CA 0.516 45.595 45.100 -0.035 0.000 0.775 111 G HN 0.543 nan 8.290 nan 0.000 0.543 112 G N -0.078 108.774 108.800 0.086 0.000 2.448 112 G HA2 0.013 3.974 3.960 0.001 0.000 0.218 112 G HA3 0.013 3.974 3.960 0.001 0.000 0.218 112 G C 1.679 176.702 174.900 0.204 0.000 1.135 112 G CA 0.990 46.213 45.100 0.205 0.000 0.784 112 G HN 0.323 nan 8.290 nan 0.000 0.543 113 V N 0.274 120.305 119.914 0.196 0.000 2.323 113 V HA -0.103 4.018 4.120 0.001 0.000 0.244 113 V C 2.939 179.080 176.094 0.079 0.000 1.041 113 V CA 2.162 64.571 62.300 0.183 0.000 1.025 113 V CB -0.486 31.389 31.823 0.088 0.000 0.656 113 V HN 0.401 nan 8.190 nan 0.000 0.451 114 T N -0.603 113.943 114.554 -0.013 0.000 3.072 114 T HA -0.003 4.348 4.350 0.001 0.000 0.266 114 T C 1.720 176.309 174.700 -0.185 0.000 1.127 114 T CA 1.214 63.190 62.100 -0.208 0.000 1.107 114 T CB -0.114 68.431 68.868 -0.539 0.000 0.910 114 T HN 0.511 nan 8.240 nan 0.000 0.513 115 A N 0.179 122.931 122.820 -0.113 0.000 1.878 115 A HA 0.121 4.442 4.320 0.001 0.000 0.213 115 A C 2.420 179.923 177.584 -0.135 0.000 1.192 115 A CA 1.048 53.019 52.037 -0.110 0.000 0.619 115 A CB -0.744 18.204 19.000 -0.087 0.000 0.837 115 A HN 0.382 nan 8.150 nan 0.000 0.446 116 V N 0.524 120.312 119.914 -0.210 0.000 2.295 116 V HA -0.313 3.808 4.120 0.001 0.000 0.246 116 V C 2.672 178.564 176.094 -0.338 0.000 1.049 116 V CA 2.210 64.264 62.300 -0.410 0.000 1.024 116 V CB -1.014 30.406 31.823 -0.671 0.000 0.648 116 V HN 0.589 nan 8.190 nan 0.000 0.447 117 Q N -0.466 119.231 119.800 -0.171 0.000 2.084 117 Q HA -0.268 4.072 4.340 0.001 0.000 0.202 117 Q C 2.327 178.331 176.000 0.006 0.000 0.978 117 Q CA 1.697 57.471 55.803 -0.049 0.000 0.844 117 Q CB -0.216 28.615 28.738 0.155 0.000 0.898 117 Q HN 0.551 nan 8.270 nan 0.000 0.426 118 E N 0.525 120.727 120.200 0.003 0.000 2.204 118 E HA -0.054 4.297 4.350 0.001 0.000 0.194 118 E C 1.196 177.803 176.600 0.011 0.000 0.989 118 E CA 0.901 57.308 56.400 0.011 0.000 0.824 118 E CB 0.098 29.772 29.700 -0.043 0.000 0.756 118 E HN 0.269 nan 8.360 nan 0.000 0.477 119 M N -0.097 119.493 119.600 -0.017 0.000 2.571 119 M HA 0.076 4.557 4.480 0.001 0.000 0.235 119 M C -0.459 175.872 176.300 0.051 0.000 1.216 119 M CA 0.201 55.513 55.300 0.020 0.000 0.979 119 M CB 0.162 32.775 32.600 0.020 0.000 1.616 119 M HN -0.088 nan 8.290 nan 0.000 0.469 120 Q N -0.686 119.134 119.800 0.033 0.000 2.487 120 Q HA -0.142 4.199 4.340 0.001 0.000 0.279 120 Q C 0.373 176.413 176.000 0.066 0.000 1.228 120 Q CA 0.617 56.465 55.803 0.074 0.000 0.873 120 Q CB -2.227 26.586 28.738 0.126 0.000 1.260 120 Q HN 0.738 nan 8.270 nan 0.000 0.471 121 G N 0.480 109.157 108.800 -0.205 0.000 2.531 121 G HA2 0.656 4.617 3.960 0.001 0.000 0.281 121 G HA3 0.656 4.617 3.960 0.001 0.000 0.281 121 G C -2.319 172.153 174.900 -0.713 0.000 1.382 121 G CA -0.949 43.719 45.100 -0.719 0.000 1.045 121 G HN 0.108 nan 8.290 nan 0.000 0.533 122 P HA 0.226 nan 4.420 nan 0.000 0.274 122 P C -0.874 176.283 177.300 -0.238 0.000 1.231 122 P CA -0.333 62.492 63.100 -0.458 0.000 0.790 122 P CB 1.108 32.548 31.700 -0.434 0.000 0.951 123 K N 2.228 122.578 120.400 -0.083 0.000 2.167 123 K HA 0.243 4.564 4.320 0.001 0.000 0.275 123 K C -0.010 176.570 176.600 -0.033 0.000 1.103 123 K CA -0.137 56.129 56.287 -0.036 0.000 0.963 123 K CB -0.940 31.560 32.500 0.001 0.000 1.243 123 K HN 0.404 nan 8.250 nan 0.000 0.407 124 I N 6.407 126.962 120.570 -0.025 0.000 2.363 124 I HA 0.096 4.267 4.170 0.001 0.000 0.292 124 I C -1.966 174.163 176.117 0.020 0.000 1.075 124 I CA -2.146 59.167 61.300 0.021 0.000 1.333 124 I CB 0.543 38.611 38.000 0.113 0.000 1.415 124 I HN 0.304 nan 8.210 nan 0.000 0.502 125 P HA -0.019 nan 4.420 nan 0.000 0.267 125 P C -1.282 176.011 177.300 -0.011 0.000 1.200 125 P CA -0.048 63.014 63.100 -0.064 0.000 0.772 125 P CB 0.404 32.045 31.700 -0.098 0.000 0.855 126 W N 3.401 124.492 121.300 -0.347 0.000 3.129 126 W HA 0.473 5.134 4.660 0.001 0.000 0.333 126 W C -1.159 175.055 176.519 -0.507 0.000 1.141 126 W CA -0.611 56.521 57.345 -0.355 0.000 1.224 126 W CB 1.609 30.903 29.460 -0.276 0.000 1.393 126 W HN 0.204 nan 8.180 nan 0.000 0.499 127 R N 3.793 123.516 120.500 -1.295 0.000 2.664 127 R HA 0.701 5.042 4.340 0.001 0.000 0.286 127 R C -0.238 174.929 176.300 -1.888 0.000 0.967 127 R CA -0.619 54.586 56.100 -1.493 0.000 0.933 127 R CB 1.287 30.823 30.300 -1.274 0.000 1.146 127 R HN 0.637 nan 8.270 nan 0.000 0.468 128 C N -1.119 117.312 119.300 -1.449 0.000 2.423 128 C HA 0.948 5.409 4.460 0.001 0.000 0.378 128 C C 1.066 175.826 174.990 -0.382 0.000 1.244 128 C CA 0.033 58.438 59.018 -1.023 0.000 1.978 128 C CB 0.804 27.995 27.740 -0.914 0.000 2.252 128 C HN 1.012 nan 8.230 nan 0.000 0.526 129 G N 0.692 109.423 108.800 -0.114 0.000 2.151 129 G HA2 -0.138 3.822 3.960 0.001 0.000 0.156 129 G HA3 -0.138 3.822 3.960 0.001 0.000 0.156 129 G C -0.112 174.797 174.900 0.015 0.000 1.017 129 G CA -0.308 44.819 45.100 0.046 0.000 0.686 129 G HN 0.922 nan 8.290 nan 0.000 0.503 130 R N 0.912 121.346 120.500 -0.111 0.000 3.710 130 R HA 0.377 4.717 4.340 0.001 0.000 0.201 130 R C 0.962 176.885 176.300 -0.627 0.000 1.641 130 R CA -0.243 55.622 56.100 -0.392 0.000 1.390 130 R CB 0.283 30.457 30.300 -0.211 0.000 1.341 130 R HN 0.238 nan 8.270 nan 0.000 0.728 131 V N 2.065 121.484 119.914 -0.825 0.000 2.694 131 V HA -0.111 4.009 4.120 0.001 0.000 0.306 131 V C 0.806 176.610 176.094 -0.484 0.000 1.054 131 V CA 0.277 62.282 62.300 -0.492 0.000 1.161 131 V CB 0.299 31.998 31.823 -0.207 0.000 0.916 131 V HN 0.551 nan 8.190 nan 0.000 0.490 132 D N 3.227 123.516 120.400 -0.185 0.000 2.458 132 D HA 0.201 4.841 4.640 0.001 0.000 0.243 132 D C 0.481 176.815 176.300 0.056 0.000 1.146 132 D CA 0.450 54.417 54.000 -0.055 0.000 0.877 132 D CB 1.071 41.880 40.800 0.016 0.000 1.176 132 D HN 0.813 nan 8.370 nan 0.000 0.461 133 T N -0.538 114.104 114.554 0.147 0.000 2.912 133 T HA 0.521 4.871 4.350 0.001 0.000 0.288 133 T C -2.612 172.245 174.700 0.262 0.000 1.030 133 T CA -2.176 60.046 62.100 0.203 0.000 1.020 133 T CB 1.923 70.925 68.868 0.222 0.000 1.056 133 T HN -0.056 nan 8.240 nan 0.000 0.480 134 P HA 0.029 nan 4.420 nan 0.000 0.271 134 P C 1.008 178.100 177.300 -0.347 0.000 1.228 134 P CA -0.201 62.878 63.100 -0.035 0.000 0.797 134 P CB 0.443 32.126 31.700 -0.029 0.000 0.914 135 E N 1.529 121.249 120.200 -0.800 0.000 2.418 135 E HA -0.191 4.160 4.350 0.001 0.000 0.197 135 E C 0.450 176.795 176.600 -0.425 0.000 1.026 135 E CA 1.323 57.054 56.400 -1.116 0.000 0.862 135 E CB -0.392 28.545 29.700 -1.273 0.000 0.799 135 E HN 0.507 nan 8.360 nan 0.000 0.518 136 D N 0.740 121.000 120.400 -0.232 0.000 2.317 136 D HA -0.116 4.525 4.640 0.001 0.000 0.211 136 D C 1.282 177.555 176.300 -0.045 0.000 0.966 136 D CA 1.241 55.177 54.000 -0.107 0.000 0.876 136 D CB -0.300 40.461 40.800 -0.065 0.000 0.927 136 D HN 0.139 nan 8.370 nan 0.000 0.519 137 T N -2.573 111.966 114.554 -0.025 0.000 3.260 137 T HA 0.242 4.592 4.350 0.001 0.000 0.254 137 T C 0.104 174.857 174.700 0.088 0.000 0.951 137 T CA -0.715 61.417 62.100 0.052 0.000 0.918 137 T CB -0.461 68.469 68.868 0.103 0.000 1.098 137 T HN -0.134 nan 8.240 nan 0.000 0.563 138 T N 4.900 119.487 114.554 0.055 0.000 2.743 138 T HA 0.431 4.782 4.350 0.001 0.000 0.293 138 T C -2.591 172.166 174.700 0.096 0.000 0.945 138 T CA -1.031 61.139 62.100 0.115 0.000 1.030 138 T CB 1.035 69.965 68.868 0.104 0.000 0.912 138 T HN 0.205 nan 8.240 nan 0.000 0.483 139 P HA 0.267 nan 4.420 nan 0.000 0.287 139 P C -0.188 177.159 177.300 0.078 0.000 1.294 139 P CA -0.642 62.511 63.100 0.089 0.000 0.776 139 P CB 0.393 32.151 31.700 0.096 0.000 0.889 140 D N 2.218 122.653 120.400 0.059 0.000 2.749 140 D HA -0.103 4.538 4.640 0.001 0.000 0.222 140 D C 0.391 176.722 176.300 0.052 0.000 1.131 140 D CA 0.963 54.993 54.000 0.050 0.000 0.845 140 D CB 0.206 41.029 40.800 0.039 0.000 1.196 140 D HN 0.368 nan 8.370 nan 0.000 0.503 141 N N 0.143 118.874 118.700 0.051 0.000 2.294 141 N HA 0.369 5.110 4.740 0.001 0.000 0.248 141 N C 1.277 176.810 175.510 0.038 0.000 1.300 141 N CA -0.083 52.996 53.050 0.048 0.000 0.925 141 N CB 0.399 38.919 38.487 0.055 0.000 1.188 141 N HN 0.513 nan 8.380 nan 0.000 0.512 142 G N -0.602 108.215 108.800 0.029 0.000 2.176 142 G HA2 -0.333 3.628 3.960 0.001 0.000 0.253 142 G HA3 -0.333 3.628 3.960 0.001 0.000 0.253 142 G C 0.750 175.665 174.900 0.024 0.000 0.979 142 G CA 0.094 45.210 45.100 0.027 0.000 0.641 142 G HN 0.562 nan 8.290 nan 0.000 0.530 143 R N -0.650 119.860 120.500 0.017 0.000 2.313 143 R HA 0.319 4.659 4.340 0.001 0.000 0.199 143 R C 0.846 177.162 176.300 0.027 0.000 0.958 143 R CA 0.145 56.269 56.100 0.040 0.000 1.047 143 R CB 0.088 30.410 30.300 0.037 0.000 0.955 143 R HN 0.287 nan 8.270 nan 0.000 0.481 144 L N 1.453 122.617 121.223 -0.099 0.000 2.400 144 L HA 0.454 4.794 4.340 0.001 0.000 0.264 144 L C -1.965 174.728 176.870 -0.296 0.000 1.061 144 L CA -2.328 52.367 54.840 -0.241 0.000 0.799 144 L CB 0.637 42.420 42.059 -0.460 0.000 1.240 144 L HN -0.095 nan 8.230 nan 0.000 0.461 145 P HA 0.246 nan 4.420 nan 0.000 0.281 145 P C -1.231 175.997 177.300 -0.121 0.000 1.264 145 P CA -0.585 62.158 63.100 -0.595 0.000 0.824 145 P CB 1.378 32.516 31.700 -0.937 0.000 1.092 146 D N 0.181 120.577 120.400 -0.006 0.000 2.193 146 D HA 0.291 4.932 4.640 0.001 0.000 0.244 146 D C 0.883 177.170 176.300 -0.022 0.000 1.064 146 D CA -0.375 53.616 54.000 -0.014 0.000 0.845 146 D CB 2.196 42.956 40.800 -0.067 0.000 1.148 146 D HN 0.310 nan 8.370 nan 0.000 0.464 147 A N 2.603 125.428 122.820 0.008 0.000 1.970 147 A HA -0.164 4.157 4.320 0.001 0.000 0.216 147 A C 1.472 179.085 177.584 0.049 0.000 1.170 147 A CA 1.160 53.190 52.037 -0.011 0.000 0.645 147 A CB -0.252 18.589 19.000 -0.265 0.000 0.816 147 A HN 0.631 nan 8.150 nan 0.000 0.447 148 D N -0.303 120.155 120.400 0.097 0.000 2.392 148 D HA -0.029 4.612 4.640 0.001 0.000 0.228 148 D C 0.823 177.145 176.300 0.037 0.000 1.003 148 D CA 0.758 54.832 54.000 0.124 0.000 0.917 148 D CB -0.085 40.802 40.800 0.146 0.000 0.890 148 D HN 0.409 nan 8.370 nan 0.000 0.532 149 K N -0.026 120.322 120.400 -0.086 0.000 2.627 149 K HA 0.269 4.590 4.320 0.001 0.000 0.269 149 K C 0.255 176.897 176.600 0.070 0.000 1.029 149 K CA -0.536 55.682 56.287 -0.116 0.000 1.026 149 K CB 0.435 32.616 32.500 -0.531 0.000 1.350 149 K HN 0.128 nan 8.250 nan 0.000 0.506 150 D N -1.167 119.315 120.400 0.136 0.000 2.668 150 D HA 0.240 4.881 4.640 0.001 0.000 0.249 150 D C 0.760 177.225 176.300 0.275 0.000 1.150 150 D CA -0.319 53.801 54.000 0.201 0.000 1.090 150 D CB 0.024 40.927 40.800 0.171 0.000 1.244 150 D HN 0.366 nan 8.370 nan 0.000 0.636 151 A N -0.174 122.790 122.820 0.240 0.000 1.873 151 A HA -0.177 4.144 4.320 0.001 0.000 0.218 151 A C 2.151 179.930 177.584 0.325 0.000 1.193 151 A CA 3.715 55.929 52.037 0.296 0.000 0.629 151 A CB -1.965 17.177 19.000 0.237 0.000 0.826 151 A HN 0.788 nan 8.150 nan 0.000 0.447 152 D N -2.359 118.187 120.400 0.243 0.000 2.221 152 D HA -0.207 4.434 4.640 0.001 0.000 0.204 152 D C 1.870 178.330 176.300 0.266 0.000 0.982 152 D CA 1.544 55.670 54.000 0.209 0.000 0.857 152 D CB -0.589 nan 40.800 nan 0.000 0.934 152 D HN 0.740 nan 8.370 nan 0.000 0.475 153 Y N 0.384 120.804 120.300 0.200 0.000 2.220 153 Y HA 0.035 4.585 4.550 0.001 0.000 0.291 153 Y C 2.527 178.623 175.900 0.327 0.000 1.129 153 Y CA 1.261 59.496 58.100 0.225 0.000 1.161 153 Y CB 0.020 38.591 38.460 0.185 0.000 0.997 153 Y HN 0.110 nan 8.280 nan 0.000 0.522 154 V N 1.158 121.328 119.914 0.428 0.000 2.626 154 V HA -0.225 3.896 4.120 0.001 0.000 0.252 154 V C 2.430 178.805 176.094 0.467 0.000 1.067 154 V CA 2.088 64.676 62.300 0.481 0.000 1.081 154 V CB -0.650 31.442 31.823 0.449 0.000 0.686 154 V HN 0.365 nan 8.190 nan 0.000 0.468 155 R N 0.488 121.215 120.500 0.378 0.000 2.062 155 R HA -0.112 4.228 4.340 0.001 0.000 0.226 155 R C 2.225 178.631 176.300 0.176 0.000 1.125 155 R CA 1.890 58.168 56.100 0.296 0.000 0.966 155 R CB -0.312 30.096 30.300 0.179 0.000 0.861 155 R HN 0.588 nan 8.270 nan 0.000 0.433 156 T N -0.308 114.319 114.554 0.122 0.000 3.067 156 T HA -0.043 4.308 4.350 0.001 0.000 0.261 156 T C 1.309 175.995 174.700 -0.024 0.000 1.110 156 T CA 0.570 62.700 62.100 0.051 0.000 1.113 156 T CB -0.183 68.721 68.868 0.061 0.000 0.917 156 T HN 0.316 nan 8.240 nan 0.000 0.499 157 F N 0.942 120.790 119.950 -0.171 0.000 2.179 157 F HA 0.247 4.774 4.527 0.001 0.000 0.292 157 F C 1.517 177.230 175.800 -0.144 0.000 1.089 157 F CA 0.485 58.308 58.000 -0.295 0.000 1.295 157 F CB -0.305 38.302 39.000 -0.656 0.000 1.041 157 F HN 0.040 nan 8.300 nan 0.000 0.487 158 F N 0.998 120.580 119.950 -0.613 0.000 2.699 158 F HA -0.045 4.483 4.527 0.001 0.000 0.298 158 F C 2.358 178.005 175.800 -0.254 0.000 1.154 158 F CA 0.842 58.546 58.000 -0.494 0.000 1.457 158 F CB -0.421 38.471 39.000 -0.179 0.000 1.106 158 F HN 0.109 nan 8.300 nan 0.000 0.585 159 Q N -0.022 119.756 119.800 -0.037 0.000 2.297 159 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 159 Q C 2.328 178.287 176.000 -0.067 0.000 0.962 159 Q CA 0.899 56.697 55.803 -0.008 0.000 0.879 159 Q CB -0.026 28.718 28.738 0.010 0.000 0.947 159 Q HN 0.370 nan 8.270 nan 0.000 0.462 160 R N -0.204 120.194 120.500 -0.169 0.000 2.153 160 R HA -0.057 4.283 4.340 0.001 0.000 0.218 160 R C 1.210 177.409 176.300 -0.169 0.000 1.072 160 R CA 0.738 56.697 56.100 -0.234 0.000 0.990 160 R CB 0.109 30.266 30.300 -0.239 0.000 0.889 160 R HN 0.209 nan 8.270 nan 0.000 0.452 161 L N 1.041 122.236 121.223 -0.046 0.000 2.592 161 L HA 0.130 4.470 4.340 0.001 0.000 0.227 161 L C 0.058 177.108 176.870 0.300 0.000 1.127 161 L CA 0.177 55.157 54.840 0.234 0.000 0.884 161 L CB -0.100 42.053 42.059 0.157 0.000 1.065 161 L HN 0.317 nan 8.230 nan 0.000 0.457 162 N N 0.133 118.936 118.700 0.172 0.000 2.756 162 N HA -0.221 4.519 4.740 0.001 0.000 0.248 162 N C -0.520 175.049 175.510 0.099 0.000 1.062 162 N CA 0.455 53.585 53.050 0.134 0.000 0.696 162 N CB -0.586 38.019 38.487 0.197 0.000 0.946 162 N HN 0.069 nan 8.380 nan 0.000 0.548 163 M N 1.159 120.821 119.600 0.104 0.000 2.393 163 M HA 0.450 4.931 4.480 0.001 0.000 0.316 163 M C 0.177 176.510 176.300 0.056 0.000 1.087 163 M CA -0.855 54.488 55.300 0.072 0.000 0.937 163 M CB 1.480 34.139 32.600 0.098 0.000 1.668 163 M HN 0.293 nan 8.290 nan 0.000 0.438 164 N N 1.286 120.007 118.700 0.035 0.000 2.566 164 N HA 0.307 5.047 4.740 0.001 0.000 0.299 164 N C -0.323 175.227 175.510 0.067 0.000 1.277 164 N CA -0.563 52.513 53.050 0.044 0.000 0.965 164 N CB 0.318 38.823 38.487 0.030 0.000 1.142 164 N HN 0.436 nan 8.380 nan 0.000 0.596 165 D N 0.415 120.865 120.400 0.083 0.000 2.137 165 D HA -0.168 4.473 4.640 0.001 0.000 0.189 165 D C 1.855 178.266 176.300 0.184 0.000 0.998 165 D CA 1.638 55.744 54.000 0.178 0.000 0.839 165 D CB -0.188 40.629 40.800 0.029 0.000 0.962 165 D HN 0.473 nan 8.370 nan 0.000 0.446 166 R N 0.311 120.872 120.500 0.102 0.000 2.105 166 R HA -0.126 4.215 4.340 0.001 0.000 0.239 166 R C 2.039 178.432 176.300 0.154 0.000 1.135 166 R CA 1.184 57.352 56.100 0.114 0.000 0.967 166 R CB -0.027 30.320 30.300 0.078 0.000 0.861 166 R HN 0.378 nan 8.270 nan 0.000 0.442 167 E N -0.393 119.852 120.200 0.075 0.000 2.158 167 E HA -0.116 4.235 4.350 0.001 0.000 0.191 167 E C 1.946 178.494 176.600 -0.087 0.000 0.982 167 E CA 1.214 57.625 56.400 0.019 0.000 0.823 167 E CB 0.210 29.907 29.700 -0.006 0.000 0.766 167 E HN 0.271 nan 8.360 nan 0.000 0.468 168 V N -1.682 118.127 119.914 -0.174 0.000 2.788 168 V HA -0.078 4.043 4.120 0.001 0.000 0.251 168 V C 2.105 177.998 176.094 -0.336 0.000 1.068 168 V CA 0.727 62.724 62.300 -0.506 0.000 1.090 168 V CB -0.201 31.174 31.823 -0.746 0.000 0.710 168 V HN -0.010 nan 8.190 nan 0.000 0.467 169 V N 1.210 121.079 119.914 -0.076 0.000 2.427 169 V HA -0.082 4.039 4.120 0.001 0.000 0.248 169 V C 3.114 179.394 176.094 0.310 0.000 1.051 169 V CA 2.020 64.380 62.300 0.100 0.000 1.048 169 V CB -1.046 30.902 31.823 0.207 0.000 0.666 169 V HN 0.653 nan 8.190 nan 0.000 0.456 170 A N -0.133 122.878 122.820 0.318 0.000 1.873 170 A HA -0.131 4.190 4.320 0.001 0.000 0.215 170 A C 2.189 180.018 177.584 0.407 0.000 1.186 170 A CA 1.631 53.879 52.037 0.352 0.000 0.616 170 A CB -0.539 18.602 19.000 0.234 0.000 0.823 170 A HN 0.478 nan 8.150 nan 0.000 0.442 171 L N -1.781 119.490 121.223 0.080 0.000 2.191 171 L HA -0.146 4.195 4.340 0.001 0.000 0.212 171 L C 2.670 179.437 176.870 -0.171 0.000 1.103 171 L CA 1.310 56.129 54.840 -0.035 0.000 0.769 171 L CB -0.316 41.583 42.059 -0.268 0.000 0.908 171 L HN 0.396 nan 8.230 nan 0.000 0.438 172 M N -0.399 119.009 119.600 -0.320 0.000 2.394 172 M HA -0.034 4.447 4.480 0.001 0.000 0.264 172 M C 1.900 177.518 176.300 -1.137 0.000 1.073 172 M CA 1.091 55.966 55.300 -0.708 0.000 1.111 172 M CB -0.328 31.987 32.600 -0.476 0.000 1.401 172 M HN 0.150 nan 8.290 nan 0.000 0.448 173 G N -1.046 107.409 108.800 -0.575 0.000 2.708 173 G HA2 0.033 3.993 3.960 0.001 0.000 0.210 173 G HA3 0.033 3.993 3.960 0.001 0.000 0.210 173 G C 1.331 175.830 174.900 -0.668 0.000 1.141 173 G CA 0.636 45.270 45.100 -0.777 0.000 0.788 173 G HN 0.560 nan 8.290 nan 0.000 0.531 174 A N -0.323 122.179 122.820 -0.531 0.000 2.235 174 A HA 0.138 4.459 4.320 0.001 0.000 0.208 174 A C 1.598 178.861 177.584 -0.535 0.000 1.172 174 A CA 0.371 52.174 52.037 -0.390 0.000 0.786 174 A CB -0.553 18.388 19.000 -0.099 0.000 0.804 174 A HN 0.593 nan 8.150 nan 0.000 0.479 175 H N -1.146 117.282 119.070 -1.070 0.000 2.556 175 H HA 0.164 4.720 4.556 0.001 0.000 0.268 175 H C 2.151 176.934 175.328 -0.909 0.000 0.996 175 H CA 0.152 55.289 56.048 -1.518 0.000 1.157 175 H CB 0.285 28.639 29.762 -2.347 0.000 1.355 175 H HN 0.589 nan 8.280 nan 0.000 0.597 176 A N 0.844 123.388 122.820 -0.460 0.000 2.067 176 A HA -0.010 4.311 4.320 0.001 0.000 0.219 176 A C 0.940 178.468 177.584 -0.094 0.000 1.158 176 A CA 0.430 52.339 52.037 -0.214 0.000 0.661 176 A CB -0.157 18.642 19.000 -0.335 0.000 0.801 176 A HN 0.207 nan 8.150 nan 0.000 0.452 177 L N -0.460 120.693 121.223 -0.118 0.000 2.312 177 L HA 0.536 4.876 4.340 0.001 0.000 0.281 177 L C 1.308 178.255 176.870 0.130 0.000 1.070 177 L CA 0.087 54.931 54.840 0.007 0.000 0.805 177 L CB 0.630 42.691 42.059 0.004 0.000 1.174 177 L HN 0.556 nan 8.230 nan 0.000 0.434 178 G N 3.280 112.168 108.800 0.147 0.000 2.598 178 G HA2 -0.282 3.679 3.960 0.001 0.000 0.269 178 G HA3 -0.282 3.679 3.960 0.001 0.000 0.269 178 G C -0.608 174.443 174.900 0.251 0.000 1.289 178 G CA 0.443 45.650 45.100 0.178 0.000 0.926 178 G HN 0.806 nan 8.290 nan 0.000 0.567 179 K N -2.277 118.177 120.400 0.090 0.000 2.495 179 K HA 0.732 5.053 4.320 0.001 0.000 0.268 179 K C -0.509 175.774 176.600 -0.529 0.000 1.008 179 K CA -0.305 55.834 56.287 -0.247 0.000 0.882 179 K CB 1.338 33.644 32.500 -0.323 0.000 1.443 179 K HN 0.738 nan 8.250 nan 0.000 0.447 180 T N 0.851 114.963 114.554 -0.737 0.000 2.771 180 T HA 0.255 4.606 4.350 0.001 0.000 0.291 180 T C -0.928 173.493 174.700 -0.465 0.000 0.954 180 T CA -0.526 61.266 62.100 -0.514 0.000 1.045 180 T CB 0.005 68.579 68.868 -0.490 0.000 0.917 180 T HN 0.487 nan 8.240 nan 0.000 0.484 181 H N 5.597 124.653 119.070 -0.023 0.000 2.459 181 H HA 0.286 4.843 4.556 0.001 0.000 0.332 181 H C 0.868 176.216 175.328 0.033 0.000 1.094 181 H CA -0.569 55.477 56.048 -0.004 0.000 1.224 181 H CB 1.892 31.655 29.762 0.001 0.000 1.449 181 H HN 0.521 nan 8.280 nan 0.000 0.484 182 L N 2.335 123.624 121.223 0.111 0.000 2.362 182 L HA -0.149 4.191 4.340 0.001 0.000 0.219 182 L C 1.662 178.575 176.870 0.071 0.000 1.134 182 L CA 1.143 56.022 54.840 0.066 0.000 0.807 182 L CB 0.021 42.087 42.059 0.013 0.000 0.927 182 L HN 0.452 nan 8.230 nan 0.000 0.447 183 K N -0.799 119.656 120.400 0.092 0.000 2.116 183 K HA -0.025 4.295 4.320 0.001 0.000 0.203 183 K C 1.569 178.219 176.600 0.083 0.000 1.052 183 K CA 1.379 57.708 56.287 0.070 0.000 0.952 183 K CB -0.121 32.412 32.500 0.055 0.000 0.729 183 K HN 0.416 nan 8.250 nan 0.000 0.446 184 N N -0.066 118.702 118.700 0.113 0.000 2.240 184 N HA -0.084 4.657 4.740 0.001 0.000 0.187 184 N C 1.521 177.121 175.510 0.149 0.000 1.042 184 N CA 1.325 54.450 53.050 0.125 0.000 0.861 184 N CB 0.120 38.688 38.487 0.135 0.000 1.026 184 N HN 0.112 nan 8.380 nan 0.000 0.441 185 S N -0.667 115.149 115.700 0.194 0.000 2.559 185 S HA 0.296 4.766 4.470 0.001 0.000 0.226 185 S C 0.992 175.773 174.600 0.301 0.000 1.000 185 S CA 0.240 58.590 58.200 0.250 0.000 0.948 185 S CB 0.842 64.201 63.200 0.265 0.000 0.870 185 S HN 0.454 nan 8.310 nan 0.000 0.497 186 G N 0.668 109.573 108.800 0.174 0.000 2.248 186 G HA2 -0.221 3.740 3.960 0.001 0.000 0.263 186 G HA3 -0.221 3.740 3.960 0.001 0.000 0.263 186 G C -0.423 174.342 174.900 -0.225 0.000 1.082 186 G CA 0.247 45.345 45.100 -0.003 0.000 0.863 186 G HN 0.593 nan 8.290 nan 0.000 0.495 187 Y N -1.371 118.923 120.300 -0.010 0.000 2.534 187 Y HA 0.660 5.211 4.550 0.001 0.000 0.345 187 Y C -0.015 175.825 175.900 -0.100 0.000 1.031 187 Y CA -1.097 56.972 58.100 -0.052 0.000 1.022 187 Y CB 2.353 40.780 38.460 -0.055 0.000 1.292 187 Y HN 0.210 nan 8.280 nan 0.000 0.459 188 E N 0.926 121.127 120.200 0.001 0.000 2.314 188 E HA 0.751 5.101 4.350 0.001 0.000 0.272 188 E C -0.751 175.771 176.600 -0.129 0.000 0.884 188 E CA -0.259 56.092 56.400 -0.081 0.000 0.753 188 E CB 2.163 31.829 29.700 -0.056 0.000 1.213 188 E HN 0.933 nan 8.360 nan 0.000 0.432 189 G N 3.769 112.449 108.800 -0.199 0.000 2.697 189 G HA2 0.020 3.980 3.960 0.001 0.000 0.684 189 G HA3 0.020 3.980 3.960 0.001 0.000 0.684 189 G C -2.971 171.743 174.900 -0.310 0.000 1.274 189 G CA -0.561 44.429 45.100 -0.182 0.000 0.806 189 G HN 0.461 nan 8.290 nan 0.000 0.644 190 P HA 0.222 nan 4.420 nan 0.000 0.276 190 P C 0.507 177.777 177.300 -0.050 0.000 1.252 190 P CA -0.457 62.559 63.100 -0.141 0.000 0.802 190 P CB 0.883 32.599 31.700 0.027 0.000 1.035 191 W N 0.473 121.794 121.300 0.036 0.000 2.640 191 W HA 0.156 4.817 4.660 0.001 0.000 0.268 191 W C 1.061 177.533 176.519 -0.078 0.000 1.263 191 W CA 0.805 58.197 57.345 0.080 0.000 1.344 191 W CB 0.130 29.659 29.460 0.115 0.000 1.093 191 W HN 0.466 nan 8.180 nan 0.000 0.603 192 G N -1.583 107.224 108.800 0.012 0.000 2.870 192 G HA2 0.460 4.421 3.960 0.001 0.000 0.299 192 G HA3 0.460 4.421 3.960 0.001 0.000 0.299 192 G C -0.019 174.688 174.900 -0.322 0.000 1.324 192 G CA 0.133 44.968 45.100 -0.441 0.000 0.808 192 G HN -0.126 nan 8.290 nan 0.000 0.535 193 A N -1.298 121.348 122.820 -0.290 0.000 2.063 193 A HA 0.642 4.962 4.320 0.001 0.000 0.211 193 A C 1.482 179.076 177.584 0.016 0.000 1.177 193 A CA 1.500 53.534 52.037 -0.005 0.000 0.759 193 A CB -0.024 19.035 19.000 0.098 0.000 0.857 193 A HN 1.719 nan 8.150 nan 0.000 0.468 194 A N 0.867 123.680 122.820 -0.013 0.000 3.000 194 A HA 0.415 4.736 4.320 0.001 0.000 0.315 194 A C 0.375 177.971 177.584 0.019 0.000 1.434 194 A CA -0.623 51.423 52.037 0.015 0.000 1.108 194 A CB -0.398 18.610 19.000 0.013 0.000 1.171 194 A HN 0.361 nan 8.150 nan 0.000 0.524 195 N N 1.702 120.425 118.700 0.038 0.000 2.244 195 N HA -0.141 4.600 4.740 0.001 0.000 0.183 195 N C 1.068 176.609 175.510 0.051 0.000 1.016 195 N CA 1.472 54.553 53.050 0.052 0.000 0.866 195 N CB -0.054 38.469 38.487 0.059 0.000 0.980 195 N HN 0.876 nan 8.380 nan 0.000 0.430 196 N N 0.569 119.300 118.700 0.052 0.000 2.322 196 N HA -0.007 4.733 4.740 0.001 0.000 0.194 196 N C -0.048 175.499 175.510 0.061 0.000 1.126 196 N CA -0.069 53.014 53.050 0.055 0.000 0.845 196 N CB 0.676 39.198 38.487 0.059 0.000 0.976 196 N HN -0.013 nan 8.380 nan 0.000 0.475 197 V N 0.266 120.220 119.914 0.066 0.000 2.525 197 V HA 0.444 4.564 4.120 0.001 0.000 0.299 197 V C -1.290 174.872 176.094 0.112 0.000 1.034 197 V CA -1.069 61.285 62.300 0.091 0.000 0.863 197 V CB 1.345 33.219 31.823 0.086 0.000 0.999 197 V HN 0.076 nan 8.190 nan 0.000 0.423 198 F N 7.463 127.388 119.950 -0.041 0.000 2.466 198 F HA 0.653 5.181 4.527 0.001 0.000 0.363 198 F C 0.638 176.485 175.800 0.079 0.000 1.109 198 F CA 1.022 58.971 58.000 -0.084 0.000 1.161 198 F CB 0.535 39.371 39.000 -0.273 0.000 1.117 198 F HN 0.884 nan 8.300 nan 0.000 0.539 199 T N 0.951 115.432 114.554 -0.122 0.000 2.696 199 T HA 0.266 4.617 4.350 0.001 0.000 0.291 199 T C 0.167 174.871 174.700 0.006 0.000 1.095 199 T CA -0.596 61.564 62.100 0.099 0.000 1.026 199 T CB 1.172 70.083 68.868 0.072 0.000 1.390 199 T HN 0.595 nan 8.240 nan 0.000 0.513 200 N N -0.812 117.948 118.700 0.099 0.000 2.322 200 N HA 0.107 4.847 4.740 0.001 0.000 0.216 200 N C 1.143 176.600 175.510 -0.089 0.000 1.144 200 N CA -0.427 52.605 53.050 -0.030 0.000 0.830 200 N CB 0.198 38.744 38.487 0.099 0.000 1.034 200 N HN 0.664 nan 8.380 nan 0.000 0.484 201 E N 0.607 120.730 120.200 -0.128 0.000 2.085 201 E HA -0.257 4.093 4.350 0.001 0.000 0.194 201 E C 1.100 177.605 176.600 -0.159 0.000 0.994 201 E CA 1.074 57.403 56.400 -0.117 0.000 0.801 201 E CB -0.137 29.495 29.700 -0.114 0.000 0.743 201 E HN 0.560 nan 8.360 nan 0.000 0.453 202 F N 0.384 120.056 119.950 -0.464 0.000 2.184 202 F HA -0.285 4.242 4.527 0.001 0.000 0.301 202 F C 1.483 176.997 175.800 -0.477 0.000 1.076 202 F CA 1.619 59.291 58.000 -0.547 0.000 1.295 202 F CB -0.291 38.186 39.000 -0.872 0.000 1.026 202 F HN 0.105 nan 8.300 nan 0.000 0.494 203 Y N -0.355 119.774 120.300 -0.284 0.000 2.314 203 Y HA 0.031 4.581 4.550 0.001 0.000 0.294 203 Y C 2.165 177.961 175.900 -0.173 0.000 1.119 203 Y CA 0.857 58.786 58.100 -0.286 0.000 1.179 203 Y CB -0.914 37.431 38.460 -0.191 0.000 1.025 203 Y HN -0.021 nan 8.280 nan 0.000 0.541 204 L N -0.073 121.164 121.223 0.024 0.000 2.376 204 L HA -0.116 4.225 4.340 0.001 0.000 0.219 204 L C 1.519 178.417 176.870 0.046 0.000 1.133 204 L CA 1.150 56.008 54.840 0.029 0.000 0.816 204 L CB -0.435 41.634 42.059 0.017 0.000 0.933 204 L HN 0.346 nan 8.230 nan 0.000 0.449 205 N N -0.607 118.116 118.700 0.039 0.000 2.387 205 N HA -0.047 4.693 4.740 0.001 0.000 0.176 205 N C 1.705 177.475 175.510 0.433 0.000 1.022 205 N CA 0.077 53.244 53.050 0.194 0.000 0.883 205 N CB 0.197 38.791 38.487 0.178 0.000 1.019 205 N HN 0.085 nan 8.380 nan 0.000 0.435 206 L N 1.339 122.645 121.223 0.139 0.000 2.081 206 L HA -0.127 4.213 4.340 0.001 0.000 0.212 206 L C 1.494 178.513 176.870 0.248 0.000 1.080 206 L CA 1.751 56.609 54.840 0.030 0.000 0.754 206 L CB -0.325 41.513 42.059 -0.369 0.000 0.893 206 L HN 0.270 nan 8.230 nan 0.000 0.433 207 L N -5.655 115.679 121.223 0.184 0.000 2.781 207 L HA 0.316 4.657 4.340 0.001 0.000 0.245 207 L C 1.280 178.235 176.870 0.142 0.000 1.118 207 L CA 0.577 55.511 54.840 0.158 0.000 0.918 207 L CB -0.935 41.156 42.059 0.053 0.000 1.246 207 L HN 0.009 nan 8.230 nan 0.000 0.526 208 N N -0.328 118.444 118.700 0.121 0.000 2.280 208 N HA 0.100 4.841 4.740 0.001 0.000 0.192 208 N C 0.168 175.673 175.510 -0.009 0.000 1.109 208 N CA -0.040 53.041 53.050 0.052 0.000 0.855 208 N CB 0.459 38.969 38.487 0.038 0.000 0.974 208 N HN 0.296 nan 8.380 nan 0.000 0.482 209 E N 0.582 120.744 120.200 -0.063 0.000 2.232 209 E HA 0.163 4.513 4.350 0.001 0.000 0.265 209 E C -1.024 175.345 176.600 -0.385 0.000 1.001 209 E CA -0.271 55.905 56.400 -0.374 0.000 0.870 209 E CB 1.166 30.279 29.700 -0.979 0.000 1.175 209 E HN 0.018 nan 8.360 nan 0.000 0.407 210 D N 1.430 121.598 120.400 -0.386 0.000 2.392 210 D HA 0.197 4.837 4.640 0.001 0.000 0.228 210 D C -1.028 175.155 176.300 -0.196 0.000 1.074 210 D CA -0.414 53.491 54.000 -0.159 0.000 0.838 210 D CB 0.372 41.133 40.800 -0.065 0.000 1.067 210 D HN 0.177 nan 8.370 nan 0.000 0.511 211 W N 3.062 124.471 121.300 0.182 0.000 2.438 211 W HA 0.379 5.040 4.660 0.001 0.000 0.324 211 W C 0.623 177.328 176.519 0.310 0.000 1.119 211 W CA -0.932 56.572 57.345 0.264 0.000 1.221 211 W CB 1.234 30.896 29.460 0.336 0.000 1.253 211 W HN 0.147 nan 8.180 nan 0.000 0.555 212 K N 3.497 124.126 120.400 0.383 0.000 2.482 212 K HA 0.430 4.750 4.320 0.001 0.000 0.251 212 K C -1.475 174.899 176.600 -0.377 0.000 0.936 212 K CA -0.802 55.480 56.287 -0.007 0.000 0.791 212 K CB 1.731 34.221 32.500 -0.017 0.000 1.213 212 K HN 0.644 nan 8.250 nan 0.000 0.428 213 L N 3.523 124.159 121.223 -0.979 0.000 2.360 213 L HA 0.288 4.629 4.340 0.001 0.000 0.276 213 L C -0.728 175.829 176.870 -0.522 0.000 1.121 213 L CA 0.447 54.602 54.840 -1.142 0.000 0.845 213 L CB 0.894 42.063 42.059 -1.483 0.000 1.143 213 L HN 0.906 nan 8.230 nan 0.000 0.452 214 E N 3.921 123.898 120.200 -0.372 0.000 2.433 214 E HA 0.404 4.755 4.350 0.001 0.000 0.273 214 E C -1.508 174.990 176.600 -0.170 0.000 0.950 214 E CA -0.727 55.544 56.400 -0.215 0.000 0.796 214 E CB 1.886 31.500 29.700 -0.144 0.000 1.330 214 E HN 0.467 nan 8.360 nan 0.000 0.455 215 K N 1.461 121.783 120.400 -0.130 0.000 2.206 215 K HA 0.404 4.725 4.320 0.001 0.000 0.264 215 K C -0.226 176.313 176.600 -0.101 0.000 0.967 215 K CA -0.559 55.659 56.287 -0.115 0.000 0.844 215 K CB 0.581 33.021 32.500 -0.100 0.000 1.099 215 K HN 0.646 nan 8.250 nan 0.000 0.441 216 N N 1.885 120.517 118.700 -0.113 0.000 2.495 216 N HA 0.123 4.863 4.740 0.001 0.000 0.294 216 N C -0.566 174.889 175.510 -0.092 0.000 1.276 216 N CA -0.818 52.171 53.050 -0.101 0.000 0.973 216 N CB 0.555 38.972 38.487 -0.115 0.000 1.143 216 N HN 0.417 nan 8.380 nan 0.000 0.589 217 D N -0.845 119.508 120.400 -0.078 0.000 2.332 217 D HA 0.125 4.766 4.640 0.001 0.000 0.244 217 D C 0.366 176.626 176.300 -0.067 0.000 1.136 217 D CA 0.262 54.224 54.000 -0.062 0.000 0.884 217 D CB -0.163 40.610 40.800 -0.046 0.000 0.906 217 D HN 0.591 nan 8.370 nan 0.000 0.520 218 A N 0.346 123.107 122.820 -0.097 0.000 2.603 218 A HA 0.191 4.511 4.320 0.001 0.000 0.277 218 A C 0.780 178.290 177.584 -0.123 0.000 1.158 218 A CA -0.377 51.597 52.037 -0.106 0.000 0.962 218 A CB -0.212 18.705 19.000 -0.139 0.000 1.189 218 A HN 0.068 nan 8.150 nan 0.000 0.552 219 N N 0.144 118.777 118.700 -0.111 0.000 2.721 219 N HA -0.163 4.578 4.740 0.001 0.000 0.249 219 N C -0.900 174.533 175.510 -0.129 0.000 1.072 219 N CA 0.986 53.975 53.050 -0.102 0.000 0.710 219 N CB -1.194 37.251 38.487 -0.070 0.000 0.993 219 N HN 0.540 nan 8.380 nan 0.000 0.547 220 N N 0.547 119.131 118.700 -0.193 0.000 2.370 220 N HA 0.322 5.063 4.740 0.001 0.000 0.303 220 N C -0.859 174.536 175.510 -0.192 0.000 1.103 220 N CA -0.335 52.565 53.050 -0.250 0.000 0.848 220 N CB 1.087 39.243 38.487 -0.551 0.000 1.235 220 N HN 0.186 nan 8.380 nan 0.000 0.496 221 E N 0.947 121.080 120.200 -0.112 0.000 2.216 221 E HA 0.238 4.589 4.350 0.001 0.000 0.279 221 E C -0.399 176.210 176.600 0.016 0.000 0.997 221 E CA -0.517 55.836 56.400 -0.078 0.000 0.817 221 E CB 1.622 31.279 29.700 -0.071 0.000 1.096 221 E HN 0.447 nan 8.360 nan 0.000 0.393 222 Q N 2.704 122.490 119.800 -0.024 0.000 2.534 222 Q HA 0.221 4.562 4.340 0.001 0.000 0.290 222 Q C -1.651 174.326 176.000 -0.038 0.000 0.991 222 Q CA -0.892 54.972 55.803 0.103 0.000 0.783 222 Q CB 0.880 29.751 28.738 0.222 0.000 1.470 222 Q HN 0.484 nan 8.270 nan 0.000 0.406 223 W N 2.197 123.484 121.300 -0.021 0.000 2.342 223 W HA 0.382 5.042 4.660 0.001 0.000 0.310 223 W C -0.715 175.901 176.519 0.162 0.000 1.128 223 W CA 0.256 57.574 57.345 -0.044 0.000 1.322 223 W CB 1.019 30.290 29.460 -0.314 0.000 1.251 223 W HN 0.469 nan 8.180 nan 0.000 0.439 224 D N 1.286 121.891 120.400 0.342 0.000 2.299 224 D HA 0.521 5.162 4.640 0.001 0.000 0.243 224 D C -0.203 176.301 176.300 0.340 0.000 0.982 224 D CA -0.504 53.706 54.000 0.351 0.000 0.924 224 D CB 1.771 42.641 40.800 0.117 0.000 1.238 224 D HN 0.185 nan 8.370 nan 0.000 0.484 225 S N -0.179 115.594 115.700 0.122 0.000 2.634 225 S HA 0.379 4.849 4.470 0.001 0.000 0.296 225 S C 0.621 175.106 174.600 -0.192 0.000 1.104 225 S CA -0.762 57.323 58.200 -0.192 0.000 0.920 225 S CB 2.304 65.116 63.200 -0.647 0.000 1.111 225 S HN 0.116 nan 8.310 nan 0.000 0.493 226 K N 1.026 121.294 120.400 -0.220 0.000 2.442 226 K HA 0.127 4.447 4.320 0.001 0.000 0.198 226 K C 1.491 177.935 176.600 -0.259 0.000 1.042 226 K CA 0.572 56.742 56.287 -0.194 0.000 0.958 226 K CB -0.667 31.743 32.500 -0.150 0.000 0.766 226 K HN 0.631 nan 8.250 nan 0.000 0.474 227 S N -0.620 114.831 115.700 -0.415 0.000 2.561 227 S HA 0.034 4.505 4.470 0.001 0.000 0.225 227 S C 1.202 175.415 174.600 -0.645 0.000 0.977 227 S CA 0.815 58.646 58.200 -0.615 0.000 0.926 227 S CB 0.233 62.821 63.200 -1.021 0.000 0.769 227 S HN 0.550 nan 8.310 nan 0.000 0.533 228 G N 0.193 108.748 108.800 -0.407 0.000 2.159 228 G HA2 -0.239 3.722 3.960 0.001 0.000 0.227 228 G HA3 -0.239 3.722 3.960 0.001 0.000 0.227 228 G C 0.026 174.917 174.900 -0.016 0.000 0.986 228 G CA -0.250 44.737 45.100 -0.188 0.000 0.651 228 G HN 0.557 nan 8.290 nan 0.000 0.523 229 Y N -0.358 119.953 120.300 0.018 0.000 2.289 229 Y HA 0.784 5.335 4.550 0.001 0.000 0.332 229 Y C 0.817 176.867 175.900 0.249 0.000 1.324 229 Y CA -0.716 57.455 58.100 0.119 0.000 1.478 229 Y CB 0.971 39.530 38.460 0.164 0.000 1.378 229 Y HN 0.284 nan 8.280 nan 0.000 0.558 230 M N 1.789 121.683 119.600 0.490 0.000 2.603 230 M HA 0.455 4.935 4.480 0.001 0.000 0.275 230 M C -2.416 173.961 176.300 0.128 0.000 1.226 230 M CA -0.630 54.859 55.300 0.316 0.000 0.870 230 M CB 2.597 35.216 32.600 0.031 0.000 1.716 230 M HN 0.694 nan 8.290 nan 0.000 0.482 231 M N 3.106 122.737 119.600 0.051 0.000 2.484 231 M HA 0.484 4.964 4.480 0.001 0.000 0.289 231 M C -1.211 175.186 176.300 0.161 0.000 1.206 231 M CA -0.630 54.711 55.300 0.068 0.000 0.892 231 M CB 2.081 34.503 32.600 -0.297 0.000 1.712 231 M HN 0.686 nan 8.290 nan 0.000 0.462 232 L N 3.237 124.605 121.223 0.243 0.000 2.456 232 L HA 0.382 4.722 4.340 0.001 0.000 0.257 232 L C -1.361 175.664 176.870 0.258 0.000 1.162 232 L CA -1.405 53.553 54.840 0.195 0.000 0.808 232 L CB -0.007 42.141 42.059 0.148 0.000 1.136 232 L HN 0.449 nan 8.230 nan 0.000 0.466 233 P HA -0.055 nan 4.420 nan 0.000 0.223 233 P C 1.077 178.511 177.300 0.224 0.000 1.151 233 P CA 1.016 64.304 63.100 0.313 0.000 0.787 233 P CB 0.207 32.084 31.700 0.295 0.000 0.788 234 T N -4.630 110.045 114.554 0.202 0.000 3.014 234 T HA -0.015 4.336 4.350 0.001 0.000 0.263 234 T C 1.322 176.129 174.700 0.179 0.000 1.078 234 T CA 0.822 63.043 62.100 0.202 0.000 1.135 234 T CB -0.615 68.396 68.868 0.238 0.000 0.895 234 T HN -0.025 nan 8.240 nan 0.000 0.480 235 D N 0.255 120.792 120.400 0.228 0.000 2.213 235 D HA 0.047 4.688 4.640 0.001 0.000 0.205 235 D C 1.359 177.694 176.300 0.059 0.000 0.961 235 D CA 0.615 54.790 54.000 0.292 0.000 0.853 235 D CB -0.276 40.822 40.800 0.497 0.000 0.967 235 D HN 0.470 nan 8.370 nan 0.000 0.496 236 Y N 1.087 121.292 120.300 -0.157 0.000 2.544 236 Y HA -0.045 4.505 4.550 0.001 0.000 0.286 236 Y C 2.153 177.883 175.900 -0.282 0.000 1.141 236 Y CA 0.820 58.673 58.100 -0.411 0.000 1.299 236 Y CB 0.065 38.063 38.460 -0.770 0.000 1.030 236 Y HN -0.088 nan 8.280 nan 0.000 0.543 237 S N -0.439 115.174 115.700 -0.145 0.000 2.453 237 S HA -0.130 4.341 4.470 0.001 0.000 0.231 237 S C 1.810 176.350 174.600 -0.101 0.000 1.005 237 S CA 0.913 59.061 58.200 -0.087 0.000 0.949 237 S CB -0.805 62.447 63.200 0.086 0.000 0.774 237 S HN 0.542 nan 8.310 nan 0.000 0.510 238 L N 1.389 122.515 121.223 -0.160 0.000 2.265 238 L HA -0.008 4.333 4.340 0.001 0.000 0.215 238 L C 2.247 179.047 176.870 -0.117 0.000 1.117 238 L CA 1.049 55.795 54.840 -0.157 0.000 0.782 238 L CB -0.630 41.352 42.059 -0.128 0.000 0.914 238 L HN 0.549 nan 8.230 nan 0.000 0.441 239 I N -4.476 115.919 120.570 -0.292 0.000 4.181 239 I HA 0.016 4.187 4.170 0.001 0.000 0.331 239 I C 1.836 177.774 176.117 -0.298 0.000 1.312 239 I CA 0.394 61.516 61.300 -0.297 0.000 1.146 239 I CB -0.454 37.322 38.000 -0.372 0.000 1.074 239 I HN 0.240 nan 8.210 nan 0.000 0.402 240 Q N 1.606 121.198 119.800 -0.347 0.000 2.049 240 Q HA -0.040 4.301 4.340 0.001 0.000 0.198 240 Q C 0.794 176.750 176.000 -0.074 0.000 0.971 240 Q CA 1.019 56.689 55.803 -0.221 0.000 0.833 240 Q CB 0.046 28.681 28.738 -0.172 0.000 0.896 240 Q HN 0.489 nan 8.270 nan 0.000 0.434 241 D N 0.992 121.390 120.400 -0.004 0.000 2.371 241 D HA -0.018 4.622 4.640 0.001 0.000 0.256 241 D C -1.609 174.688 176.300 -0.005 0.000 1.193 241 D CA -1.571 52.447 54.000 0.030 0.000 0.881 241 D CB 1.322 42.205 40.800 0.139 0.000 1.143 241 D HN 0.008 nan 8.370 nan 0.000 0.473 242 P HA -0.170 nan 4.420 nan 0.000 0.216 242 P C 0.950 178.216 177.300 -0.056 0.000 1.150 242 P CA 0.988 64.061 63.100 -0.045 0.000 0.837 242 P CB 0.462 32.136 31.700 -0.044 0.000 0.786 243 K N -1.227 119.114 120.400 -0.097 0.000 2.116 243 K HA -0.061 4.259 4.320 0.001 0.000 0.203 243 K C 2.353 178.911 176.600 -0.069 0.000 1.052 243 K CA 1.004 57.215 56.287 -0.127 0.000 0.952 243 K CB -0.830 31.536 32.500 -0.223 0.000 0.729 243 K HN 0.187 nan 8.250 nan 0.000 0.446 244 Y N 1.484 121.749 120.300 -0.059 0.000 2.200 244 Y HA -0.123 4.428 4.550 0.001 0.000 0.290 244 Y C 2.190 178.039 175.900 -0.087 0.000 1.137 244 Y CA 0.283 58.346 58.100 -0.060 0.000 1.163 244 Y CB -0.589 37.847 38.460 -0.040 0.000 0.988 244 Y HN -0.054 nan 8.280 nan 0.000 0.518 245 L N 0.176 121.442 121.223 0.072 0.000 2.131 245 L HA -0.176 4.165 4.340 0.001 0.000 0.210 245 L C 2.209 179.042 176.870 -0.061 0.000 1.092 245 L CA 2.416 57.243 54.840 -0.021 0.000 0.759 245 L CB -1.331 40.700 42.059 -0.047 0.000 0.903 245 L HN 0.365 nan 8.230 nan 0.000 0.435 246 S N -0.644 115.016 115.700 -0.066 0.000 2.402 246 S HA -0.109 4.361 4.470 0.001 0.000 0.229 246 S C 2.021 176.516 174.600 -0.175 0.000 1.021 246 S CA 1.189 59.328 58.200 -0.103 0.000 0.974 246 S CB -0.602 62.543 63.200 -0.090 0.000 0.800 246 S HN 0.551 nan 8.310 nan 0.000 0.484 247 I N 1.200 121.652 120.570 -0.197 0.000 2.500 247 I HA -0.022 4.149 4.170 0.001 0.000 0.252 247 I C 2.166 177.975 176.117 -0.513 0.000 1.142 247 I CA 0.476 61.534 61.300 -0.404 0.000 1.451 247 I CB -0.275 37.550 38.000 -0.292 0.000 1.093 247 I HN 0.190 nan 8.210 nan 0.000 0.430 248 V N 0.887 120.652 119.914 -0.247 0.000 2.453 248 V HA -0.213 3.907 4.120 0.001 0.000 0.247 248 V C 2.426 178.396 176.094 -0.206 0.000 1.048 248 V CA 1.620 63.806 62.300 -0.189 0.000 1.049 248 V CB -0.589 31.228 31.823 -0.010 0.000 0.672 248 V HN 0.346 nan 8.190 nan 0.000 0.457 249 K N -0.180 120.118 120.400 -0.169 0.000 2.148 249 K HA -0.203 4.118 4.320 0.001 0.000 0.204 249 K C 2.223 178.731 176.600 -0.154 0.000 1.050 249 K CA 1.564 57.776 56.287 -0.125 0.000 0.942 249 K CB 0.012 32.452 32.500 -0.100 0.000 0.724 249 K HN 0.602 nan 8.250 nan 0.000 0.446 250 E N -0.234 119.818 120.200 -0.246 0.000 2.028 250 E HA -0.176 4.174 4.350 0.001 0.000 0.190 250 E C 1.496 177.998 176.600 -0.164 0.000 0.984 250 E CA 1.030 57.288 56.400 -0.237 0.000 0.800 250 E CB -0.032 29.465 29.700 -0.340 0.000 0.758 250 E HN 0.236 nan 8.360 nan 0.000 0.448 251 Y N 0.223 120.340 120.300 -0.304 0.000 2.421 251 Y HA 0.036 4.587 4.550 0.001 0.000 0.292 251 Y C 2.166 177.879 175.900 -0.312 0.000 1.136 251 Y CA 0.704 58.564 58.100 -0.400 0.000 1.255 251 Y CB -0.769 37.108 38.460 -0.971 0.000 0.991 251 Y HN 0.197 nan 8.280 nan 0.000 0.552 252 A N -0.102 122.659 122.820 -0.099 0.000 1.929 252 A HA -0.152 4.169 4.320 0.001 0.000 0.216 252 A C 1.991 179.574 177.584 -0.002 0.000 1.176 252 A CA 1.654 53.688 52.037 -0.005 0.000 0.628 252 A CB -0.697 18.306 19.000 0.005 0.000 0.816 252 A HN 0.477 nan 8.150 nan 0.000 0.444 253 N N -0.890 117.798 118.700 -0.019 0.000 2.415 253 N HA 0.003 4.744 4.740 0.001 0.000 0.176 253 N C -0.587 174.923 175.510 -0.000 0.000 1.042 253 N CA 0.660 53.703 53.050 -0.012 0.000 0.902 253 N CB 0.332 38.805 38.487 -0.025 0.000 0.986 253 N HN 0.276 nan 8.380 nan 0.000 0.447 254 D N -0.519 119.893 120.400 0.021 0.000 2.402 254 D HA 0.060 4.701 4.640 0.001 0.000 0.252 254 D C 0.194 176.539 176.300 0.075 0.000 1.294 254 D CA -0.301 53.721 54.000 0.037 0.000 0.948 254 D CB 1.134 41.964 40.800 0.049 0.000 1.202 254 D HN 0.041 nan 8.370 nan 0.000 0.561 255 Q N 2.395 122.199 119.800 0.007 0.000 2.245 255 Q HA -0.081 4.260 4.340 0.001 0.000 0.201 255 Q C 0.426 176.331 176.000 -0.159 0.000 0.955 255 Q CA 1.252 57.035 55.803 -0.035 0.000 0.870 255 Q CB 0.305 28.950 28.738 -0.156 0.000 0.945 255 Q HN 0.289 nan 8.270 nan 0.000 0.461 256 D N 0.228 120.545 120.400 -0.138 0.000 2.269 256 D HA -0.111 4.530 4.640 0.001 0.000 0.208 256 D C 1.511 177.859 176.300 0.079 0.000 0.963 256 D CA 0.865 54.808 54.000 -0.095 0.000 0.864 256 D CB 0.150 40.916 40.800 -0.056 0.000 0.936 256 D HN 0.149 nan 8.370 nan 0.000 0.505 257 K N 0.265 120.747 120.400 0.137 0.000 2.116 257 K HA -0.074 4.246 4.320 0.001 0.000 0.203 257 K C 1.768 178.543 176.600 0.291 0.000 1.052 257 K CA 0.421 56.841 56.287 0.221 0.000 0.952 257 K CB -0.553 32.096 32.500 0.247 0.000 0.729 257 K HN 0.031 nan 8.250 nan 0.000 0.446 258 F N 0.212 120.203 119.950 0.069 0.000 2.146 258 F HA -0.071 4.457 4.527 0.001 0.000 0.298 258 F C 1.492 177.398 175.800 0.175 0.000 1.096 258 F CA 1.178 59.040 58.000 -0.229 0.000 1.275 258 F CB -0.539 38.343 39.000 -0.195 0.000 1.008 258 F HN -0.042 nan 8.300 nan 0.000 0.480 259 F N 1.043 120.870 119.950 -0.206 0.000 2.095 259 F HA -0.135 4.393 4.527 0.001 0.000 0.298 259 F C 2.463 178.205 175.800 -0.096 0.000 1.104 259 F CA 1.661 59.528 58.000 -0.222 0.000 1.232 259 F CB -1.294 37.666 39.000 -0.067 0.000 0.987 259 F HN -0.064 nan 8.300 nan 0.000 0.475 260 K N 0.419 120.931 120.400 0.186 0.000 2.097 260 K HA -0.129 4.192 4.320 0.001 0.000 0.206 260 K C 1.745 178.395 176.600 0.082 0.000 1.049 260 K CA 1.383 57.738 56.287 0.113 0.000 0.933 260 K CB -0.531 32.036 32.500 0.112 0.000 0.717 260 K HN 0.094 nan 8.250 nan 0.000 0.442 261 D N -1.035 119.427 120.400 0.104 0.000 2.183 261 D HA -0.112 4.529 4.640 0.001 0.000 0.203 261 D C 1.664 177.998 176.300 0.057 0.000 0.969 261 D CA 0.667 54.731 54.000 0.107 0.000 0.842 261 D CB -0.047 40.877 40.800 0.207 0.000 0.957 261 D HN 0.143 nan 8.370 nan 0.000 0.484 262 F N 1.114 120.968 119.950 -0.160 0.000 2.163 262 F HA -0.161 4.367 4.527 0.001 0.000 0.297 262 F C 2.559 178.290 175.800 -0.116 0.000 1.094 262 F CA 1.206 59.088 58.000 -0.197 0.000 1.290 262 F CB -0.073 38.643 39.000 -0.474 0.000 1.017 262 F HN -0.174 nan 8.300 nan 0.000 0.483 263 S N 0.247 115.934 115.700 -0.022 0.000 2.348 263 S HA -0.239 4.232 4.470 0.001 0.000 0.221 263 S C 2.109 176.668 174.600 -0.068 0.000 1.033 263 S CA 1.773 59.948 58.200 -0.043 0.000 1.010 263 S CB -0.381 62.809 63.200 -0.016 0.000 0.891 263 S HN 0.452 nan 8.310 nan 0.000 0.442 264 K N 0.647 121.016 120.400 -0.051 0.000 2.097 264 K HA -0.013 4.308 4.320 0.001 0.000 0.206 264 K C 2.364 178.914 176.600 -0.083 0.000 1.049 264 K CA 1.265 57.521 56.287 -0.052 0.000 0.933 264 K CB -0.337 32.152 32.500 -0.018 0.000 0.717 264 K HN 0.469 nan 8.250 nan 0.000 0.442 265 A N 0.591 123.343 122.820 -0.114 0.000 1.874 265 A HA -0.078 4.243 4.320 0.001 0.000 0.214 265 A C 1.958 179.429 177.584 -0.189 0.000 1.189 265 A CA 0.701 52.654 52.037 -0.140 0.000 0.615 265 A CB -0.591 18.328 19.000 -0.135 0.000 0.830 265 A HN 0.333 nan 8.150 nan 0.000 0.443 266 F N 0.662 120.299 119.950 -0.522 0.000 2.186 266 F HA -0.117 4.411 4.527 0.001 0.000 0.299 266 F C 2.232 177.883 175.800 -0.249 0.000 1.090 266 F CA 1.931 59.619 58.000 -0.520 0.000 1.307 266 F CB 0.067 38.501 39.000 -0.943 0.000 1.019 266 F HN 0.383 nan 8.300 nan 0.000 0.489 267 E N 0.422 120.492 120.200 -0.217 0.000 2.106 267 E HA -0.256 4.095 4.350 0.001 0.000 0.192 267 E C 2.203 178.673 176.600 -0.216 0.000 0.984 267 E CA 1.025 57.298 56.400 -0.212 0.000 0.806 267 E CB -0.118 29.518 29.700 -0.108 0.000 0.750 267 E HN 0.400 nan 8.360 nan 0.000 0.458 268 K N 0.611 120.901 120.400 -0.183 0.000 2.103 268 K HA -0.093 4.228 4.320 0.001 0.000 0.204 268 K C 2.267 178.741 176.600 -0.210 0.000 1.052 268 K CA 0.500 56.684 56.287 -0.171 0.000 0.945 268 K CB -0.070 32.356 32.500 -0.124 0.000 0.722 268 K HN 0.175 nan 8.250 nan 0.000 0.443 269 L N 1.550 122.654 121.223 -0.198 0.000 2.083 269 L HA -0.137 4.204 4.340 0.001 0.000 0.209 269 L C 1.697 178.438 176.870 -0.214 0.000 1.083 269 L CA 1.608 56.361 54.840 -0.146 0.000 0.752 269 L CB -0.698 41.324 42.059 -0.060 0.000 0.899 269 L HN 0.280 nan 8.230 nan 0.000 0.433 270 L N -0.523 120.513 121.223 -0.311 0.000 2.240 270 L HA -0.102 4.238 4.340 0.001 0.000 0.211 270 L C 1.941 178.685 176.870 -0.209 0.000 1.106 270 L CA 0.814 55.492 54.840 -0.270 0.000 0.793 270 L CB -0.268 41.592 42.059 -0.332 0.000 0.927 270 L HN 0.297 nan 8.230 nan 0.000 0.446 271 E N -0.506 119.552 120.200 -0.236 0.000 2.479 271 E HA 0.017 4.368 4.350 0.001 0.000 0.193 271 E C -0.002 176.342 176.600 -0.426 0.000 1.049 271 E CA -0.358 55.901 56.400 -0.235 0.000 0.870 271 E CB 0.283 29.914 29.700 -0.114 0.000 0.944 271 E HN 0.276 nan 8.360 nan 0.000 0.492 272 N N 0.797 119.147 118.700 -0.584 0.000 2.374 272 N HA -0.010 4.730 4.740 0.001 0.000 0.269 272 N C 0.824 175.506 175.510 -1.379 0.000 1.310 272 N CA 1.290 53.660 53.050 -1.134 0.000 0.877 272 N CB 0.913 38.552 38.487 -1.414 0.000 1.096 272 N HN 0.336 nan 8.380 nan 0.000 0.484 273 G N 1.640 109.851 108.800 -0.982 0.000 2.254 273 G HA2 -0.276 3.684 3.960 0.001 0.000 0.225 273 G HA3 -0.276 3.684 3.960 0.001 0.000 0.225 273 G C 0.075 174.855 174.900 -0.201 0.000 1.003 273 G CA -0.364 44.584 45.100 -0.253 0.000 0.622 273 G HN 0.487 nan 8.290 nan 0.000 0.507 274 I N 2.705 123.030 120.570 -0.409 0.000 2.416 274 I HA 0.432 4.603 4.170 0.001 0.000 0.288 274 I C 0.511 176.205 176.117 -0.704 0.000 1.051 274 I CA 0.230 61.203 61.300 -0.545 0.000 1.375 274 I CB 1.597 39.228 38.000 -0.615 0.000 1.407 274 I HN 0.010 nan 8.210 nan 0.000 0.516 275 T N 7.167 121.405 114.554 -0.526 0.000 2.733 275 T HA 0.440 4.790 4.350 0.001 0.000 0.294 275 T C -0.152 174.323 174.700 -0.375 0.000 0.956 275 T CA -0.234 61.631 62.100 -0.392 0.000 0.987 275 T CB -0.096 68.648 68.868 -0.206 0.000 0.920 275 T HN 0.113 nan 8.240 nan 0.000 0.470 276 F N 3.863 123.757 119.950 -0.093 0.000 2.412 276 F HA 0.329 4.857 4.527 0.001 0.000 0.348 276 F C -1.506 174.250 175.800 -0.074 0.000 1.102 276 F CA -2.263 55.681 58.000 -0.094 0.000 1.196 276 F CB 0.555 39.475 39.000 -0.133 0.000 1.144 276 F HN 0.347 nan 8.300 nan 0.000 0.541 277 P HA 0.001 nan 4.420 nan 0.000 0.271 277 P C -0.193 177.138 177.300 0.052 0.000 1.233 277 P CA -0.293 62.863 63.100 0.093 0.000 0.789 277 P CB 0.596 32.343 31.700 0.078 0.000 0.951 278 K N 0.879 121.295 120.400 0.027 0.000 2.397 278 K HA 0.104 4.425 4.320 0.001 0.000 0.202 278 K C -0.377 176.222 176.600 -0.002 0.000 1.022 278 K CA 0.473 56.765 56.287 0.008 0.000 1.141 278 K CB -0.069 32.435 32.500 0.008 0.000 0.857 278 K HN 0.498 nan 8.250 nan 0.000 0.514 279 D N -0.848 119.551 120.400 -0.001 0.000 2.530 279 D HA 0.172 4.813 4.640 0.001 0.000 0.253 279 D C 0.179 176.474 176.300 -0.009 0.000 1.338 279 D CA -0.530 53.469 54.000 -0.002 0.000 0.806 279 D CB 0.380 41.186 40.800 0.009 0.000 1.160 279 D HN 0.154 nan 8.370 nan 0.000 0.514 280 A N 1.703 124.509 122.820 -0.024 0.000 2.346 280 A HA 0.557 4.877 4.320 0.001 0.000 0.252 280 A C -1.772 175.742 177.584 -0.116 0.000 1.089 280 A CA -0.924 51.075 52.037 -0.064 0.000 0.797 280 A CB -0.151 18.793 19.000 -0.092 0.000 1.047 280 A HN 0.211 nan 8.150 nan 0.000 0.494 281 P HA 0.200 nan 4.420 nan 0.000 0.274 281 P C -0.069 177.037 177.300 -0.324 0.000 1.231 281 P CA -0.114 62.887 63.100 -0.166 0.000 0.790 281 P CB 0.901 32.560 31.700 -0.069 0.000 0.951 282 S N 2.925 118.489 115.700 -0.226 0.000 2.572 282 S HA 0.233 4.704 4.470 0.001 0.000 0.279 282 S C -1.894 172.437 174.600 -0.447 0.000 1.341 282 S CA -0.978 57.064 58.200 -0.264 0.000 1.043 282 S CB -0.476 62.642 63.200 -0.138 0.000 0.887 282 S HN 0.360 nan 8.310 nan 0.000 0.516 283 P HA 0.096 nan 4.420 nan 0.000 0.265 283 P C -0.906 176.169 177.300 -0.375 0.000 1.187 283 P CA -0.072 62.665 63.100 -0.605 0.000 0.766 283 P CB 0.013 31.462 31.700 -0.419 0.000 0.820 284 F N 2.251 122.070 119.950 -0.219 0.000 2.410 284 F HA 0.382 4.910 4.527 0.001 0.000 0.348 284 F C 1.075 176.676 175.800 -0.332 0.000 1.106 284 F CA -0.995 56.902 58.000 -0.171 0.000 1.163 284 F CB 0.267 39.229 39.000 -0.063 0.000 1.129 284 F HN 0.113 nan 8.300 nan 0.000 0.516 285 I N 4.887 125.469 120.570 0.021 0.000 2.460 285 I HA 0.227 4.397 4.170 0.001 0.000 0.277 285 I C -0.520 175.659 176.117 0.103 0.000 1.057 285 I CA -0.356 60.917 61.300 -0.044 0.000 1.179 285 I CB 0.249 38.241 38.000 -0.014 0.000 1.329 285 I HN 0.419 nan 8.210 nan 0.000 0.478 286 F N 4.579 124.563 119.950 0.057 0.000 2.506 286 F HA 0.186 4.714 4.527 0.001 0.000 0.351 286 F C 1.079 176.693 175.800 -0.311 0.000 1.136 286 F CA -0.492 57.385 58.000 -0.205 0.000 1.298 286 F CB 0.598 39.172 39.000 -0.710 0.000 1.145 286 F HN 0.293 nan 8.300 nan 0.000 0.593 287 K N 1.189 121.553 120.400 -0.059 0.000 2.118 287 K HA 0.237 4.557 4.320 0.001 0.000 0.267 287 K C 0.075 176.613 176.600 -0.103 0.000 0.991 287 K CA -0.584 55.678 56.287 -0.043 0.000 0.916 287 K CB 1.594 34.121 32.500 0.045 0.000 1.041 287 K HN 0.567 nan 8.250 nan 0.000 0.455 288 T N 1.189 115.779 114.554 0.059 0.000 2.816 288 T HA 0.109 4.460 4.350 0.001 0.000 0.282 288 T C 1.501 176.314 174.700 0.188 0.000 0.993 288 T CA -0.508 61.728 62.100 0.227 0.000 0.994 288 T CB 0.561 69.552 68.868 0.205 0.000 1.025 288 T HN 0.418 nan 8.240 nan 0.000 0.529 289 L N 1.733 123.077 121.223 0.201 0.000 2.042 289 L HA -0.012 4.328 4.340 0.001 0.000 0.210 289 L C 2.547 179.471 176.870 0.090 0.000 1.076 289 L CA 1.849 56.764 54.840 0.124 0.000 0.749 289 L CB -0.558 41.558 42.059 0.094 0.000 0.893 289 L HN 0.768 nan 8.230 nan 0.000 0.432 290 E N -0.215 120.038 120.200 0.088 0.000 2.118 290 E HA -0.244 4.106 4.350 0.001 0.000 0.195 290 E C 2.023 178.661 176.600 0.064 0.000 0.992 290 E CA 1.649 58.091 56.400 0.070 0.000 0.804 290 E CB 0.009 29.752 29.700 0.071 0.000 0.741 290 E HN 0.542 nan 8.360 nan 0.000 0.458 291 E N -0.335 119.907 120.200 0.069 0.000 2.158 291 E HA -0.083 4.268 4.350 0.001 0.000 0.191 291 E C 1.603 178.236 176.600 0.055 0.000 0.982 291 E CA 0.514 56.950 56.400 0.060 0.000 0.823 291 E CB 0.034 29.771 29.700 0.062 0.000 0.766 291 E HN 0.299 nan 8.360 nan 0.000 0.468 292 Q N -0.343 119.492 119.800 0.059 0.000 2.322 292 Q HA 0.049 4.390 4.340 0.001 0.000 0.203 292 Q C 0.677 176.703 176.000 0.043 0.000 0.923 292 Q CA 0.308 56.142 55.803 0.050 0.000 0.949 292 Q CB 0.520 29.289 28.738 0.052 0.000 1.039 292 Q HN 0.429 nan 8.270 nan 0.000 0.496 293 G N 0.237 109.063 108.800 0.043 0.000 2.189 293 G HA2 -0.292 3.668 3.960 0.001 0.000 0.267 293 G HA3 -0.292 3.668 3.960 0.001 0.000 0.267 293 G C 0.020 174.942 174.900 0.036 0.000 0.975 293 G CA 0.419 45.541 45.100 0.037 0.000 0.644 293 G HN 0.232 nan 8.290 nan 0.000 0.537 294 L N 0.000 121.248 121.223 0.041 0.000 2.949 294 L HA 0.000 4.341 4.340 0.001 0.000 0.249 294 L CA 0.000 54.863 54.840 0.038 0.000 0.813 294 L CB 0.000 42.083 42.059 0.040 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502