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 2b10_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 0.000 174.685 174.700 -0.026 0.000 1.109 1 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 1 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 2 T N 3.112 117.652 114.554 -0.024 0.000 0.541 2 T HA -0.034 4.334 4.350 0.030 0.000 0.774 2 T C -2.957 171.722 174.700 -0.034 0.000 0.992 2 T CA 0.291 62.376 62.100 -0.025 0.000 4.077 2 T CB -0.317 68.537 68.868 -0.023 0.000 2.303 2 T HN 0.533 nan 8.240 nan 0.000 0.398 3 P HA 0.293 nan 4.420 nan 0.000 0.270 3 P C -0.163 177.086 177.300 -0.085 0.000 1.227 3 P CA -0.398 62.674 63.100 -0.047 0.000 0.788 3 P CB 0.099 31.781 31.700 -0.030 0.000 0.926 4 L N -0.059 121.087 121.223 -0.128 0.000 2.456 4 L HA 0.223 4.581 4.340 0.030 0.000 0.272 4 L C 0.314 176.979 176.870 -0.342 0.000 1.189 4 L CA -0.309 54.389 54.840 -0.236 0.000 0.846 4 L CB -0.369 41.507 42.059 -0.305 0.000 1.111 4 L HN 0.051 nan 8.230 nan 0.000 0.475 5 V N 1.883 121.599 119.914 -0.330 0.000 2.370 5 V HA 0.270 4.408 4.120 0.030 0.000 0.279 5 V C -0.180 175.660 176.094 -0.422 0.000 1.029 5 V CA -0.488 61.632 62.300 -0.299 0.000 0.870 5 V CB 0.608 32.334 31.823 -0.161 0.000 0.984 5 V HN 0.607 nan 8.190 nan 0.000 0.451 6 H N 3.612 122.463 119.070 -0.365 0.000 2.690 6 H HA 0.396 4.970 4.556 0.030 0.000 0.280 6 H C -0.395 174.581 175.328 -0.587 0.000 1.138 6 H CA -0.328 55.265 56.048 -0.757 0.000 1.241 6 H CB 1.577 30.578 29.762 -1.269 0.000 1.394 6 H HN 0.431 nan 8.280 nan 0.000 0.489 7 V N 2.457 122.261 119.914 -0.184 0.000 2.498 7 V HA 0.247 4.385 4.120 0.030 0.000 0.279 7 V C 0.860 176.983 176.094 0.049 0.000 1.048 7 V CA -0.841 61.408 62.300 -0.086 0.000 0.967 7 V CB 1.098 32.904 31.823 -0.030 0.000 0.988 7 V HN 0.805 nan 8.190 nan 0.000 0.473 8 A N 4.073 126.833 122.820 -0.100 0.000 2.410 8 A HA 0.466 4.804 4.320 0.030 0.000 0.292 8 A C 0.467 178.055 177.584 0.006 0.000 1.232 8 A CA 0.111 52.098 52.037 -0.083 0.000 0.893 8 A CB 0.134 18.875 19.000 -0.433 0.000 1.131 8 A HN 0.736 nan 8.150 nan 0.000 0.530 9 S N 2.928 118.661 115.700 0.054 0.000 2.438 9 S HA 0.438 4.926 4.470 0.030 0.000 0.316 9 S C -0.029 174.622 174.600 0.085 0.000 1.084 9 S CA -0.561 57.680 58.200 0.067 0.000 1.107 9 S CB 0.268 63.515 63.200 0.077 0.000 0.981 9 S HN 0.613 nan 8.310 nan 0.000 0.466 10 V N 5.312 125.291 119.914 0.109 0.000 2.673 10 V HA 0.054 4.192 4.120 0.030 0.000 0.303 10 V C 0.497 176.707 176.094 0.193 0.000 1.046 10 V CA -0.108 62.297 62.300 0.175 0.000 1.126 10 V CB -0.033 31.901 31.823 0.185 0.000 0.934 10 V HN 0.806 nan 8.190 nan 0.000 0.487 11 E N 3.915 124.287 120.200 0.286 0.000 2.415 11 E HA 0.042 4.410 4.350 0.030 0.000 0.263 11 E C 0.339 177.026 176.600 0.145 0.000 0.995 11 E CA -0.147 56.407 56.400 0.257 0.000 0.915 11 E CB 0.191 30.146 29.700 0.426 0.000 0.951 11 E HN 0.318 nan 8.360 nan 0.000 0.449 12 K N 2.580 123.036 120.400 0.092 0.000 2.325 12 K HA -0.146 4.192 4.320 0.030 0.000 0.258 12 K C 0.516 177.101 176.600 -0.026 0.000 1.250 12 K CA 1.159 57.467 56.287 0.035 0.000 1.260 12 K CB -0.754 31.764 32.500 0.029 0.000 0.785 12 K HN 0.895 nan 8.250 nan 0.000 0.501 13 G N 3.911 112.706 108.800 -0.009 0.000 2.338 13 G HA2 -0.272 3.706 3.960 0.030 0.000 0.296 13 G HA3 -0.272 3.706 3.960 0.030 0.000 0.296 13 G C -0.163 174.675 174.900 -0.103 0.000 1.040 13 G CA 0.157 45.233 45.100 -0.041 0.000 1.004 13 G HN 0.520 nan 8.290 nan 0.000 0.509 14 R N -0.374 120.092 120.500 -0.056 0.000 2.778 14 R HA 0.834 5.192 4.340 0.030 0.000 0.277 14 R C 0.337 176.699 176.300 0.103 0.000 0.977 14 R CA 0.076 56.093 56.100 -0.138 0.000 0.950 14 R CB 1.968 32.102 30.300 -0.276 0.000 1.165 14 R HN 0.690 nan 8.270 nan 0.000 0.474 15 S N -0.199 115.533 115.700 0.052 0.000 2.840 15 S HA 0.191 4.679 4.470 0.030 0.000 0.307 15 S C 0.680 175.351 174.600 0.117 0.000 1.180 15 S CA -0.747 57.569 58.200 0.194 0.000 0.846 15 S CB 0.528 63.794 63.200 0.111 0.000 1.233 15 S HN 0.664 nan 8.310 nan 0.000 0.548 16 Y N 1.788 121.950 120.300 -0.230 0.000 2.139 16 Y HA -0.195 4.373 4.550 0.030 0.000 0.282 16 Y C 1.944 177.765 175.900 -0.133 0.000 1.179 16 Y CA 2.659 60.433 58.100 -0.543 0.000 1.161 16 Y CB -0.683 37.504 38.460 -0.455 0.000 0.970 16 Y HN 0.772 nan 8.280 nan 0.000 0.511 17 E N 0.229 120.325 120.200 -0.173 0.000 2.204 17 E HA -0.156 4.212 4.350 0.030 0.000 0.195 17 E C 1.585 178.056 176.600 -0.216 0.000 0.990 17 E CA 1.701 57.980 56.400 -0.202 0.000 0.821 17 E CB -0.305 29.367 29.700 -0.046 0.000 0.750 17 E HN 0.676 nan 8.360 nan 0.000 0.477 18 D N -0.822 119.431 120.400 -0.244 0.000 2.162 18 D HA -0.057 4.601 4.640 0.030 0.000 0.203 18 D C 1.086 177.205 176.300 -0.302 0.000 0.967 18 D CA 0.676 54.488 54.000 -0.312 0.000 0.840 18 D CB -0.059 40.363 40.800 -0.631 0.000 0.972 18 D HN 0.126 nan 8.370 nan 0.000 0.482 19 F N 0.488 120.407 119.950 -0.053 0.000 2.367 19 F HA 0.001 4.546 4.527 0.030 0.000 0.298 19 F C 2.366 177.900 175.800 -0.444 0.000 1.094 19 F CA 0.459 58.394 58.000 -0.108 0.000 1.409 19 F CB -0.276 38.856 39.000 0.222 0.000 1.064 19 F HN -0.146 nan 8.300 nan 0.000 0.528 20 Q N 1.116 120.749 119.800 -0.278 0.000 2.226 20 Q HA -0.152 4.206 4.340 0.030 0.000 0.204 20 Q C 1.741 177.579 176.000 -0.270 0.000 0.975 20 Q CA 1.656 57.223 55.803 -0.394 0.000 0.866 20 Q CB -0.211 28.246 28.738 -0.467 0.000 0.915 20 Q HN 0.298 nan 8.270 nan 0.000 0.440 21 K N -1.190 119.077 120.400 -0.221 0.000 2.116 21 K HA -0.003 4.335 4.320 0.030 0.000 0.203 21 K C 1.893 178.328 176.600 -0.275 0.000 1.052 21 K CA 1.113 57.339 56.287 -0.103 0.000 0.952 21 K CB 0.161 32.704 32.500 0.071 0.000 0.729 21 K HN 0.042 nan 8.250 nan 0.000 0.446 22 V N 0.666 120.168 119.914 -0.685 0.000 2.358 22 V HA -0.253 3.885 4.120 0.030 0.000 0.246 22 V C 2.021 177.824 176.094 -0.485 0.000 1.047 22 V CA 1.523 63.229 62.300 -0.990 0.000 1.035 22 V CB -0.598 30.623 31.823 -1.005 0.000 0.658 22 V HN 0.259 nan 8.190 nan 0.000 0.452 23 Y N 2.115 122.056 120.300 -0.598 0.000 2.097 23 Y HA -0.300 4.268 4.550 0.030 0.000 0.282 23 Y C 2.331 178.054 175.900 -0.295 0.000 1.152 23 Y CA 2.290 60.071 58.100 -0.531 0.000 1.136 23 Y CB -0.706 37.303 38.460 -0.751 0.000 0.975 23 Y HN 0.351 nan 8.280 nan 0.000 0.498 24 N N -0.001 118.757 118.700 0.097 0.000 2.149 24 N HA -0.199 4.559 4.740 0.030 0.000 0.188 24 N C 1.954 177.462 175.510 -0.002 0.000 1.019 24 N CA 1.109 54.217 53.050 0.095 0.000 0.857 24 N CB -0.371 38.173 38.487 0.094 0.000 0.997 24 N HN 0.495 nan 8.380 nan 0.000 0.426 25 A N 0.880 123.692 122.820 -0.014 0.000 1.930 25 A HA -0.067 4.271 4.320 0.030 0.000 0.217 25 A C 2.084 179.605 177.584 -0.105 0.000 1.175 25 A CA 0.926 52.959 52.037 -0.007 0.000 0.627 25 A CB -0.490 18.595 19.000 0.143 0.000 0.815 25 A HN 0.191 nan 8.150 nan 0.000 0.443 26 I N -0.364 120.112 120.570 -0.158 0.000 2.193 26 I HA -0.202 3.986 4.170 0.030 0.000 0.240 26 I C 2.937 179.021 176.117 -0.056 0.000 1.084 26 I CA 1.031 62.245 61.300 -0.144 0.000 1.365 26 I CB -0.470 37.424 38.000 -0.176 0.000 1.064 26 I HN 0.306 nan 8.210 nan 0.000 0.410 27 A N 0.619 123.329 122.820 -0.184 0.000 2.024 27 A HA -0.171 4.166 4.320 0.030 0.000 0.220 27 A C 2.366 179.938 177.584 -0.019 0.000 1.164 27 A CA 1.370 53.315 52.037 -0.152 0.000 0.643 27 A CB -0.657 18.182 19.000 -0.268 0.000 0.806 27 A HN 0.453 nan 8.150 nan 0.000 0.451 28 L N -1.161 120.056 121.223 -0.011 0.000 2.127 28 L HA -0.007 4.351 4.340 0.030 0.000 0.203 28 L C 2.351 179.237 176.870 0.028 0.000 1.080 28 L CA 1.668 56.517 54.840 0.014 0.000 0.768 28 L CB -0.408 41.651 42.059 0.000 0.000 0.924 28 L HN 0.444 nan 8.230 nan 0.000 0.444 29 K N -0.427 119.973 120.400 0.000 0.000 2.365 29 K HA -0.161 4.177 4.320 0.030 0.000 0.199 29 K C 1.909 178.669 176.600 0.267 0.000 1.045 29 K CA 0.450 56.732 56.287 -0.008 0.000 0.962 29 K CB 0.254 32.536 32.500 -0.363 0.000 0.759 29 K HN 0.136 nan 8.250 nan 0.000 0.469 30 L N 1.069 122.472 121.223 0.300 0.000 2.179 30 L HA -0.019 4.339 4.340 0.030 0.000 0.208 30 L C 2.250 179.224 176.870 0.173 0.000 1.096 30 L CA 1.416 56.413 54.840 0.260 0.000 0.779 30 L CB -0.395 41.742 42.059 0.130 0.000 0.922 30 L HN 0.101 nan 8.230 nan 0.000 0.443 31 R N -1.078 119.499 120.500 0.129 0.000 2.127 31 R HA -0.081 4.277 4.340 0.030 0.000 0.217 31 R C 1.890 178.258 176.300 0.113 0.000 1.074 31 R CA 0.835 56.998 56.100 0.106 0.000 0.991 31 R CB 0.258 30.604 30.300 0.077 0.000 0.895 31 R HN 0.207 nan 8.270 nan 0.000 0.450 32 E N 0.711 120.976 120.200 0.109 0.000 2.051 32 E HA -0.070 4.298 4.350 0.030 0.000 0.189 32 E C 0.069 176.742 176.600 0.122 0.000 0.979 32 E CA 1.100 57.556 56.400 0.094 0.000 0.803 32 E CB 0.160 29.892 29.700 0.053 0.000 0.761 32 E HN 0.198 nan 8.360 nan 0.000 0.451 33 D N 0.942 121.450 120.400 0.180 0.000 3.038 33 D HA -0.015 4.643 4.640 0.030 0.000 0.243 33 D C -0.106 176.340 176.300 0.244 0.000 1.245 33 D CA 0.105 54.249 54.000 0.240 0.000 0.871 33 D CB -0.062 40.955 40.800 0.361 0.000 1.089 33 D HN 0.211 nan 8.370 nan 0.000 0.464 34 D N -0.481 120.012 120.400 0.154 0.000 2.378 34 D HA -0.141 4.517 4.640 0.030 0.000 0.227 34 D C 1.053 177.301 176.300 -0.087 0.000 1.012 34 D CA 0.468 54.538 54.000 0.118 0.000 0.905 34 D CB 0.156 41.063 40.800 0.178 0.000 0.895 34 D HN 0.280 nan 8.370 nan 0.000 0.532 35 E N -0.505 119.560 120.200 -0.226 0.000 2.170 35 E HA -0.112 4.256 4.350 0.030 0.000 0.191 35 E C 0.220 176.525 176.600 -0.491 0.000 0.981 35 E CA -0.088 55.904 56.400 -0.680 0.000 0.830 35 E CB -0.219 29.255 29.700 -0.377 0.000 0.775 35 E HN 0.415 nan 8.360 nan 0.000 0.470 36 Y N 2.725 122.811 120.300 -0.356 0.000 2.811 36 Y HA -0.131 4.437 4.550 0.030 0.000 0.334 36 Y C 0.237 175.951 175.900 -0.311 0.000 1.247 36 Y CA 0.431 58.294 58.100 -0.394 0.000 1.526 36 Y CB 0.239 38.217 38.460 -0.804 0.000 1.284 36 Y HN -0.002 nan 8.280 nan 0.000 0.586 37 D N 5.262 125.121 120.400 -0.902 0.000 2.737 37 D HA -0.312 4.346 4.640 0.030 0.000 0.238 37 D C -0.447 175.700 176.300 -0.256 0.000 1.157 37 D CA 1.416 55.012 54.000 -0.672 0.000 0.694 37 D CB -1.358 38.937 40.800 -0.843 0.000 1.021 37 D HN 0.851 nan 8.370 nan 0.000 0.420 38 N N 0.739 119.346 118.700 -0.156 0.000 2.714 38 N HA -0.299 4.459 4.740 0.030 0.000 0.252 38 N C -0.416 175.217 175.510 0.207 0.000 1.014 38 N CA 1.196 54.276 53.050 0.049 0.000 0.735 38 N CB -1.356 37.155 38.487 0.040 0.000 0.924 38 N HN 0.693 nan 8.380 nan 0.000 0.540 39 Y N -2.823 117.452 120.300 -0.041 0.000 3.305 39 Y HA -0.256 4.312 4.550 0.030 0.000 0.209 39 Y C 1.378 177.280 175.900 0.004 0.000 1.354 39 Y CA 0.569 58.667 58.100 -0.002 0.000 1.392 39 Y CB -2.025 36.444 38.460 0.014 0.000 1.446 39 Y HN 0.438 nan 8.280 nan 0.000 0.553 40 I N -0.789 119.827 120.570 0.077 0.000 3.526 40 I HA 0.277 4.465 4.170 0.030 0.000 0.294 40 I C 1.680 177.844 176.117 0.079 0.000 1.229 40 I CA 0.818 62.160 61.300 0.069 0.000 1.408 40 I CB 0.312 38.331 38.000 0.032 0.000 1.127 40 I HN 0.617 nan 8.210 nan 0.000 0.439 41 G N 0.522 109.362 108.800 0.067 0.000 2.660 41 G HA2 -0.297 3.681 3.960 0.030 0.000 0.247 41 G HA3 -0.297 3.681 3.960 0.030 0.000 0.247 41 G C -0.383 174.577 174.900 0.100 0.000 1.328 41 G CA -0.338 44.820 45.100 0.097 0.000 0.884 41 G HN 0.133 nan 8.290 nan 0.000 0.531 42 Y N 1.771 122.036 120.300 -0.059 0.000 2.524 42 Y HA 0.342 4.910 4.550 0.030 0.000 0.266 42 Y C 2.531 178.246 175.900 -0.309 0.000 1.180 42 Y CA 1.006 58.918 58.100 -0.313 0.000 1.244 42 Y CB 0.465 38.363 38.460 -0.937 0.000 1.125 42 Y HN 0.781 nan 8.280 nan 0.000 0.524 43 G N 1.582 110.373 108.800 -0.016 0.000 2.480 43 G HA2 -0.221 3.757 3.960 0.030 0.000 0.216 43 G HA3 -0.221 3.757 3.960 0.030 0.000 0.216 43 G C -0.661 174.246 174.900 0.012 0.000 1.200 43 G CA 0.856 45.941 45.100 -0.024 0.000 0.782 43 G HN 0.264 nan 8.290 nan 0.000 0.554 44 P HA -0.013 nan 4.420 nan 0.000 0.216 44 P C 2.062 179.423 177.300 0.103 0.000 1.153 44 P CA 0.425 63.580 63.100 0.091 0.000 0.844 44 P CB -0.073 31.701 31.700 0.124 0.000 0.787 45 V N -0.656 119.323 119.914 0.107 0.000 2.720 45 V HA -0.180 3.958 4.120 0.030 0.000 0.256 45 V C 1.948 178.064 176.094 0.036 0.000 1.082 45 V CA 1.514 63.869 62.300 0.091 0.000 1.101 45 V CB -0.976 30.925 31.823 0.129 0.000 0.693 45 V HN 0.041 nan 8.190 nan 0.000 0.479 46 L N -0.657 120.570 121.223 0.007 0.000 2.162 46 L HA -0.025 4.333 4.340 0.030 0.000 0.205 46 L C 2.559 179.488 176.870 0.099 0.000 1.086 46 L CA 1.544 56.388 54.840 0.005 0.000 0.778 46 L CB -0.400 41.618 42.059 -0.069 0.000 0.928 46 L HN 0.409 nan 8.230 nan 0.000 0.446 47 V N -1.094 118.901 119.914 0.135 0.000 2.667 47 V HA -0.173 3.965 4.120 0.030 0.000 0.252 47 V C 2.456 178.746 176.094 0.327 0.000 1.065 47 V CA 1.375 63.835 62.300 0.268 0.000 1.083 47 V CB -0.487 31.436 31.823 0.165 0.000 0.692 47 V HN 0.422 nan 8.190 nan 0.000 0.468 48 R N -0.765 119.861 120.500 0.210 0.000 2.148 48 R HA -0.009 4.349 4.340 0.030 0.000 0.223 48 R C 2.141 178.466 176.300 0.040 0.000 1.088 48 R CA 1.554 57.775 56.100 0.201 0.000 0.985 48 R CB -0.216 30.138 30.300 0.091 0.000 0.880 48 R HN 0.572 nan 8.270 nan 0.000 0.451 49 L N 0.612 121.836 121.223 0.002 0.000 2.044 49 L HA 0.028 4.386 4.340 0.030 0.000 0.205 49 L C 2.214 179.046 176.870 -0.064 0.000 1.075 49 L CA 2.035 56.789 54.840 -0.143 0.000 0.747 49 L CB -0.627 41.334 42.059 -0.163 0.000 0.903 49 L HN 0.146 nan 8.230 nan 0.000 0.435 50 A N -0.514 122.371 122.820 0.108 0.000 1.972 50 A HA -0.257 4.081 4.320 0.030 0.000 0.219 50 A C 2.244 179.932 177.584 0.173 0.000 1.169 50 A CA 1.643 53.766 52.037 0.144 0.000 0.635 50 A CB -1.297 17.813 19.000 0.184 0.000 0.810 50 A HN 0.816 nan 8.150 nan 0.000 0.446 51 W N -0.153 121.246 121.300 0.165 0.000 2.409 51 W HA -0.133 4.544 4.660 0.028 0.000 0.299 51 W C 1.678 178.351 176.519 0.258 0.000 1.203 51 W CA 1.569 59.047 57.345 0.223 0.000 1.298 51 W CB -0.625 29.025 29.460 0.317 0.000 1.127 51 W HN 0.583 nan 8.180 nan 0.000 0.528 52 H N 0.306 119.019 119.070 -0.595 0.000 2.462 52 H HA -0.125 4.449 4.556 0.030 0.000 0.292 52 H C 2.459 177.573 175.328 -0.357 0.000 1.049 52 H CA 1.816 57.476 56.048 -0.647 0.000 1.334 52 H CB 0.189 29.681 29.762 -0.449 0.000 1.404 52 H HN 0.160 nan 8.280 nan 0.000 0.544 53 T N -2.529 111.951 114.554 -0.124 0.000 3.023 53 T HA -0.001 4.367 4.350 0.030 0.000 0.266 53 T C 1.940 176.649 174.700 0.014 0.000 1.093 53 T CA 0.917 62.999 62.100 -0.031 0.000 1.129 53 T CB 0.067 68.952 68.868 0.029 0.000 0.899 53 T HN 0.051 nan 8.240 nan 0.000 0.491 54 S N 0.682 116.373 115.700 -0.014 0.000 2.502 54 S HA 0.307 4.795 4.470 0.030 0.000 0.215 54 S C 2.133 176.758 174.600 0.041 0.000 1.009 54 S CA 0.177 58.392 58.200 0.027 0.000 0.908 54 S CB -0.065 63.161 63.200 0.043 0.000 0.801 54 S HN 0.679 nan 8.310 nan 0.000 0.505 55 G N 2.125 110.836 108.800 -0.148 0.000 2.744 55 G HA2 -0.085 3.893 3.960 0.030 0.000 0.211 55 G HA3 -0.085 3.893 3.960 0.030 0.000 0.211 55 G C 1.319 176.171 174.900 -0.080 0.000 1.143 55 G CA 1.205 46.155 45.100 -0.250 0.000 0.788 55 G HN 0.596 nan 8.290 nan 0.000 0.534 56 T N -3.706 110.832 114.554 -0.027 0.000 3.148 56 T HA 0.014 4.382 4.350 0.030 0.000 0.253 56 T C 0.800 175.576 174.700 0.125 0.000 1.134 56 T CA -0.668 61.452 62.100 0.033 0.000 1.051 56 T CB -0.059 68.832 68.868 0.037 0.000 0.959 56 T HN 0.184 nan 8.240 nan 0.000 0.525 57 W N 2.839 124.114 121.300 -0.042 0.000 2.158 57 W HA 0.423 5.102 4.660 0.031 0.000 0.339 57 W C -0.474 175.998 176.519 -0.079 0.000 1.294 57 W CA -0.534 56.788 57.345 -0.038 0.000 1.231 57 W CB 0.412 29.856 29.460 -0.025 0.000 1.143 57 W HN 0.054 nan 8.180 nan 0.000 0.571 58 D N 4.972 124.992 120.400 -0.633 0.000 2.542 58 D HA 0.058 4.716 4.640 0.030 0.000 0.252 58 D C 0.813 176.359 176.300 -1.256 0.000 1.222 58 D CA -0.341 53.232 54.000 -0.712 0.000 0.895 58 D CB 1.346 41.966 40.800 -0.300 0.000 1.207 58 D HN 0.612 nan 8.370 nan 0.000 0.558 59 K N 2.495 121.946 120.400 -1.583 0.000 2.280 59 K HA -0.165 4.173 4.320 0.030 0.000 0.202 59 K C 0.815 176.978 176.600 -0.728 0.000 1.047 59 K CA 1.193 56.593 56.287 -1.477 0.000 0.942 59 K CB -0.179 31.628 32.500 -1.156 0.000 0.739 59 K HN 0.436 nan 8.250 nan 0.000 0.457 60 H N 1.470 120.306 119.070 -0.391 0.000 2.357 60 H HA -0.070 4.504 4.556 0.029 0.000 0.301 60 H C 0.928 176.157 175.328 -0.165 0.000 1.082 60 H CA 1.518 57.434 56.048 -0.219 0.000 1.342 60 H CB 0.028 29.683 29.762 -0.178 0.000 1.389 60 H HN 0.639 nan 8.280 nan 0.000 0.511 61 D N -1.847 118.508 120.400 -0.076 0.000 2.503 61 D HA 0.027 4.684 4.640 0.030 0.000 0.218 61 D C 0.289 176.562 176.300 -0.046 0.000 1.183 61 D CA -0.129 53.841 54.000 -0.049 0.000 0.827 61 D CB -0.157 40.629 40.800 -0.024 0.000 1.034 61 D HN 0.155 nan 8.370 nan 0.000 0.510 62 N N 0.154 118.803 118.700 -0.085 0.000 2.778 62 N HA -0.198 4.560 4.740 0.030 0.000 0.249 62 N C -0.688 174.963 175.510 0.234 0.000 1.069 62 N CA 1.404 54.528 53.050 0.123 0.000 0.831 62 N CB -1.783 36.800 38.487 0.160 0.000 1.142 62 N HN 0.552 nan 8.380 nan 0.000 0.573 63 T N -2.034 112.576 114.554 0.094 0.000 2.918 63 T HA 0.559 4.927 4.350 0.030 0.000 0.302 63 T C 1.222 176.051 174.700 0.215 0.000 1.045 63 T CA 0.303 62.495 62.100 0.154 0.000 1.114 63 T CB 1.394 70.304 68.868 0.070 0.000 0.965 63 T HN 1.152 nan 8.240 nan 0.000 0.540 64 G N 0.812 109.752 108.800 0.234 0.000 2.681 64 G HA2 0.397 4.375 3.960 0.030 0.000 0.220 64 G HA3 0.397 4.375 3.960 0.030 0.000 0.220 64 G C 0.199 175.269 174.900 0.282 0.000 1.353 64 G CA -0.090 45.148 45.100 0.229 0.000 0.872 64 G HN 2.750 nan 8.290 nan 0.000 0.557 65 G N -2.812 106.122 108.800 0.223 0.000 2.592 65 G HA2 0.379 4.357 3.960 0.030 0.000 0.684 65 G HA3 0.379 4.357 3.960 0.030 0.000 0.684 65 G C 1.148 176.095 174.900 0.079 0.000 1.291 65 G CA 1.048 46.217 45.100 0.115 0.000 0.891 65 G HN 2.457 nan 8.290 nan 0.000 0.544 66 S N -1.247 114.472 115.700 0.032 0.000 2.428 66 S HA -0.058 4.430 4.470 0.030 0.000 0.230 66 S C 1.882 176.524 174.600 0.070 0.000 1.014 66 S CA 1.773 60.016 58.200 0.071 0.000 0.957 66 S CB -0.358 62.869 63.200 0.045 0.000 0.784 66 S HN 1.335 nan 8.310 nan 0.000 0.499 67 Y N 3.119 123.347 120.300 -0.120 0.000 1.977 67 Y HA -0.200 4.367 4.550 0.030 0.000 0.264 67 Y C 2.594 178.430 175.900 -0.106 0.000 1.167 67 Y CA 1.839 59.830 58.100 -0.181 0.000 1.102 67 Y CB -1.181 37.045 38.460 -0.390 0.000 0.948 67 Y HN 0.309 nan 8.280 nan 0.000 0.489 68 G N -1.382 107.444 108.800 0.043 0.000 2.501 68 G HA2 -0.037 3.941 3.960 0.030 0.000 0.220 68 G HA3 -0.037 3.941 3.960 0.030 0.000 0.220 68 G C 1.414 176.359 174.900 0.075 0.000 1.114 68 G CA 0.790 45.923 45.100 0.054 0.000 0.757 68 G HN 1.195 nan 8.290 nan 0.000 0.559 69 G N -0.213 108.654 108.800 0.112 0.000 2.258 69 G HA2 -0.320 3.658 3.960 0.030 0.000 0.274 69 G HA3 -0.320 3.658 3.960 0.030 0.000 0.274 69 G C 1.235 176.295 174.900 0.266 0.000 1.021 69 G CA 1.543 46.768 45.100 0.208 0.000 0.798 69 G HN 1.285 nan 8.290 nan 0.000 0.507 70 T N -3.280 111.434 114.554 0.266 0.000 3.077 70 T HA -0.160 4.207 4.350 0.030 0.000 0.269 70 T C 1.767 176.594 174.700 0.210 0.000 1.146 70 T CA 1.495 63.778 62.100 0.305 0.000 1.091 70 T CB -0.195 68.900 68.868 0.380 0.000 0.892 70 T HN 0.742 nan 8.240 nan 0.000 0.533 71 Y N 3.245 123.615 120.300 0.117 0.000 2.483 71 Y HA -0.083 4.485 4.550 0.030 0.000 0.291 71 Y C 2.403 178.240 175.900 -0.105 0.000 1.143 71 Y CA 0.887 58.987 58.100 0.000 0.000 1.289 71 Y CB -0.302 38.051 38.460 -0.178 0.000 0.983 71 Y HN 0.356 nan 8.280 nan 0.000 0.556 72 R N -1.181 119.128 120.500 -0.319 0.000 2.189 72 R HA -0.048 4.310 4.340 0.030 0.000 0.218 72 R C -0.270 175.604 176.300 -0.710 0.000 1.074 72 R CA 0.300 56.043 56.100 -0.596 0.000 0.991 72 R CB -0.837 29.252 30.300 -0.353 0.000 0.883 72 R HN 0.169 nan 8.270 nan 0.000 0.457 73 F N 2.669 122.495 119.950 -0.207 0.000 2.412 73 F HA 0.271 4.815 4.527 0.029 0.000 0.348 73 F C 1.418 177.109 175.800 -0.181 0.000 1.102 73 F CA -0.906 56.994 58.000 -0.166 0.000 1.196 73 F CB 1.223 40.186 39.000 -0.061 0.000 1.144 73 F HN -0.221 nan 8.300 nan 0.000 0.541 74 K N 1.674 122.095 120.400 0.034 0.000 2.097 74 K HA -0.316 4.022 4.320 0.030 0.000 0.214 74 K C 1.963 178.620 176.600 0.094 0.000 1.052 74 K CA 2.195 58.503 56.287 0.034 0.000 0.932 74 K CB -0.162 32.358 32.500 0.033 0.000 0.716 74 K HN 0.542 nan 8.250 nan 0.000 0.455 75 K N 1.116 121.570 120.400 0.090 0.000 2.020 75 K HA -0.246 4.092 4.320 0.030 0.000 0.212 75 K C 2.226 178.872 176.600 0.076 0.000 1.050 75 K CA 1.988 58.319 56.287 0.074 0.000 0.929 75 K CB -0.013 32.523 32.500 0.060 0.000 0.714 75 K HN 0.210 nan 8.250 nan 0.000 0.443 76 E N -0.850 119.405 120.200 0.091 0.000 2.216 76 E HA -0.131 4.237 4.350 0.030 0.000 0.192 76 E C 1.805 178.444 176.600 0.064 0.000 0.988 76 E CA 0.322 56.777 56.400 0.092 0.000 0.834 76 E CB -0.044 29.739 29.700 0.138 0.000 0.772 76 E HN 0.298 nan 8.360 nan 0.000 0.479 77 F N 2.111 121.896 119.950 -0.275 0.000 2.102 77 F HA -0.109 4.436 4.527 0.030 0.000 0.298 77 F C 1.498 177.199 175.800 -0.165 0.000 1.105 77 F CA 1.294 58.998 58.000 -0.493 0.000 1.239 77 F CB 0.033 38.683 39.000 -0.585 0.000 0.991 77 F HN -0.017 nan 8.300 nan 0.000 0.474 78 N N 0.921 119.633 118.700 0.020 0.000 2.322 78 N HA -0.048 4.710 4.740 0.030 0.000 0.216 78 N C -0.473 175.033 175.510 -0.006 0.000 1.144 78 N CA 0.151 53.187 53.050 -0.023 0.000 0.830 78 N CB -0.619 37.898 38.487 0.050 0.000 1.034 78 N HN 0.283 nan 8.380 nan 0.000 0.484 79 D N 1.409 121.813 120.400 0.007 0.000 2.417 79 D HA 0.067 4.725 4.640 0.030 0.000 0.250 79 D C -1.490 174.820 176.300 0.016 0.000 1.166 79 D CA -1.796 52.216 54.000 0.019 0.000 0.881 79 D CB 1.564 42.377 40.800 0.023 0.000 1.164 79 D HN 0.007 nan 8.370 nan 0.000 0.467 80 P HA -0.121 nan 4.420 nan 0.000 0.221 80 P C 1.043 178.378 177.300 0.058 0.000 1.145 80 P CA 1.092 64.211 63.100 0.032 0.000 0.795 80 P CB 0.180 31.899 31.700 0.032 0.000 0.775 81 S N -2.578 113.157 115.700 0.058 0.000 2.528 81 S HA 0.063 4.551 4.470 0.030 0.000 0.219 81 S C 1.414 176.130 174.600 0.194 0.000 0.985 81 S CA 0.284 58.546 58.200 0.103 0.000 0.914 81 S CB -0.760 62.459 63.200 0.030 0.000 0.776 81 S HN 0.004 nan 8.310 nan 0.000 0.526 82 N N 2.222 121.000 118.700 0.130 0.000 2.276 82 N HA 0.415 5.173 4.740 0.030 0.000 0.212 82 N C -0.074 175.488 175.510 0.086 0.000 1.127 82 N CA 0.202 53.366 53.050 0.191 0.000 0.834 82 N CB 0.559 39.158 38.487 0.186 0.000 1.014 82 N HN 0.565 nan 8.380 nan 0.000 0.491 83 A N -0.346 122.515 122.820 0.068 0.000 2.492 83 A HA 0.495 4.833 4.320 0.030 0.000 0.254 83 A C 1.462 179.054 177.584 0.014 0.000 1.091 83 A CA 0.643 52.690 52.037 0.017 0.000 0.768 83 A CB -0.248 18.771 19.000 0.031 0.000 1.028 83 A HN 0.420 nan 8.150 nan 0.000 0.498 84 G N 1.286 110.071 108.800 -0.024 0.000 2.232 84 G HA2 -0.244 3.734 3.960 0.030 0.000 0.226 84 G HA3 -0.244 3.734 3.960 0.030 0.000 0.226 84 G C 0.824 175.725 174.900 0.002 0.000 0.996 84 G CA 0.324 45.407 45.100 -0.027 0.000 0.626 84 G HN 0.743 nan 8.290 nan 0.000 0.509 85 L N 0.557 121.777 121.223 -0.006 0.000 2.465 85 L HA 0.015 4.373 4.340 0.030 0.000 0.224 85 L C 2.815 179.734 176.870 0.082 0.000 1.145 85 L CA 1.412 56.250 54.840 -0.004 0.000 0.834 85 L CB -0.231 41.776 42.059 -0.087 0.000 0.944 85 L HN 0.280 nan 8.230 nan 0.000 0.451 86 Q N -0.118 119.698 119.800 0.026 0.000 2.226 86 Q HA -0.154 4.204 4.340 0.030 0.000 0.204 86 Q C 1.852 178.000 176.000 0.247 0.000 0.975 86 Q CA 1.162 57.008 55.803 0.073 0.000 0.866 86 Q CB -0.183 28.479 28.738 -0.126 0.000 0.915 86 Q HN 0.427 nan 8.270 nan 0.000 0.440 87 N N -0.615 118.188 118.700 0.171 0.000 2.331 87 N HA -0.052 4.706 4.740 0.030 0.000 0.180 87 N C 1.581 177.203 175.510 0.187 0.000 1.019 87 N CA 1.244 54.404 53.050 0.184 0.000 0.881 87 N CB -0.359 38.217 38.487 0.147 0.000 0.972 87 N HN 0.384 nan 8.380 nan 0.000 0.435 88 G N -0.509 108.392 108.800 0.168 0.000 2.430 88 G HA2 -0.164 3.814 3.960 0.030 0.000 0.216 88 G HA3 -0.164 3.814 3.960 0.030 0.000 0.216 88 G C 1.295 176.339 174.900 0.239 0.000 1.146 88 G CA -0.097 45.081 45.100 0.129 0.000 0.793 88 G HN 0.257 nan 8.290 nan 0.000 0.537 89 F N 1.621 121.675 119.950 0.174 0.000 2.206 89 F HA 0.155 4.700 4.527 0.030 0.000 0.298 89 F C 2.446 178.367 175.800 0.201 0.000 1.090 89 F CA 1.095 59.256 58.000 0.269 0.000 1.323 89 F CB 0.235 39.503 39.000 0.448 0.000 1.028 89 F HN -0.089 nan 8.300 nan 0.000 0.492 90 K N -0.356 120.184 120.400 0.234 0.000 2.211 90 K HA -0.170 4.168 4.320 0.030 0.000 0.203 90 K C 2.027 178.578 176.600 -0.082 0.000 1.050 90 K CA 1.085 57.413 56.287 0.068 0.000 0.945 90 K CB -0.949 31.637 32.500 0.143 0.000 0.732 90 K HN 0.392 nan 8.250 nan 0.000 0.451 91 F N 1.281 121.066 119.950 -0.274 0.000 2.293 91 F HA -0.016 4.530 4.527 0.030 0.000 0.297 91 F C 1.723 177.333 175.800 -0.316 0.000 1.089 91 F CA 0.859 58.576 58.000 -0.471 0.000 1.377 91 F CB 0.092 38.617 39.000 -0.790 0.000 1.051 91 F HN -0.164 nan 8.300 nan 0.000 0.511 92 L N 0.308 121.451 121.223 -0.133 0.000 2.354 92 L HA -0.022 4.336 4.340 0.030 0.000 0.212 92 L C 2.363 179.066 176.870 -0.278 0.000 1.091 92 L CA 0.836 55.562 54.840 -0.189 0.000 0.828 92 L CB -0.713 41.358 42.059 0.019 0.000 0.973 92 L HN 0.218 nan 8.230 nan 0.000 0.461 93 E N 0.707 120.688 120.200 -0.365 0.000 2.153 93 E HA -0.187 4.181 4.350 0.030 0.000 0.194 93 E C -0.884 175.591 176.600 -0.210 0.000 0.988 93 E CA 0.664 56.871 56.400 -0.321 0.000 0.811 93 E CB -1.180 28.245 29.700 -0.459 0.000 0.746 93 E HN 0.361 nan 8.360 nan 0.000 0.466 94 P HA -0.025 nan 4.420 nan 0.000 0.221 94 P C 1.126 178.313 177.300 -0.188 0.000 1.150 94 P CA 0.925 63.902 63.100 -0.205 0.000 0.800 94 P CB 0.040 31.596 31.700 -0.240 0.000 0.787 95 I N -2.395 118.057 120.570 -0.197 0.000 2.876 95 I HA -0.134 4.054 4.170 0.030 0.000 0.264 95 I C 2.269 178.392 176.117 0.010 0.000 1.204 95 I CA 0.906 62.143 61.300 -0.104 0.000 1.485 95 I CB -0.465 37.425 38.000 -0.183 0.000 1.103 95 I HN 0.083 nan 8.210 nan 0.000 0.446 96 H N 0.701 119.659 119.070 -0.187 0.000 2.448 96 H HA -0.032 4.542 4.556 0.030 0.000 0.292 96 H C 1.818 177.031 175.328 -0.192 0.000 1.035 96 H CA 0.652 56.578 56.048 -0.204 0.000 1.349 96 H CB 0.510 30.128 29.762 -0.241 0.000 1.425 96 H HN 0.012 nan 8.280 nan 0.000 0.539 97 K N 0.436 120.776 120.400 -0.101 0.000 2.366 97 K HA -0.064 4.273 4.320 0.030 0.000 0.198 97 K C 1.769 178.257 176.600 -0.187 0.000 1.044 97 K CA 0.581 56.771 56.287 -0.162 0.000 0.973 97 K CB 0.282 32.693 32.500 -0.149 0.000 0.767 97 K HN 0.341 nan 8.250 nan 0.000 0.475 98 E N -0.977 119.084 120.200 -0.230 0.000 2.340 98 E HA 0.031 4.399 4.350 0.030 0.000 0.194 98 E C -0.631 175.556 176.600 -0.689 0.000 0.996 98 E CA 0.380 56.518 56.400 -0.437 0.000 0.869 98 E CB 0.421 29.832 29.700 -0.483 0.000 0.835 98 E HN 0.116 nan 8.360 nan 0.000 0.493 99 F N 0.414 120.218 119.950 -0.243 0.000 2.646 99 F HA 0.282 4.827 4.527 0.030 0.000 0.336 99 F C -1.990 173.431 175.800 -0.632 0.000 1.437 99 F CA -1.774 55.910 58.000 -0.526 0.000 1.142 99 F CB 1.687 40.211 39.000 -0.793 0.000 1.530 99 F HN -0.054 nan 8.300 nan 0.000 0.591 100 P HA -0.151 nan 4.420 nan 0.000 0.228 100 P C 1.344 178.595 177.300 -0.082 0.000 1.151 100 P CA 1.248 64.237 63.100 -0.186 0.000 0.770 100 P CB -0.044 31.590 31.700 -0.110 0.000 0.786 101 W N -0.317 121.022 121.300 0.066 0.000 2.476 101 W HA 0.158 4.836 4.660 0.030 0.000 0.281 101 W C 1.004 177.589 176.519 0.111 0.000 1.230 101 W CA -0.442 56.941 57.345 0.065 0.000 1.287 101 W CB -1.519 27.969 29.460 0.045 0.000 1.108 101 W HN -0.178 nan 8.180 nan 0.000 0.567 102 I N 3.995 124.438 120.570 -0.212 0.000 2.648 102 I HA -0.045 4.143 4.170 0.030 0.000 0.284 102 I C 1.084 177.245 176.117 0.073 0.000 1.153 102 I CA 0.162 61.409 61.300 -0.089 0.000 1.426 102 I CB 0.911 38.593 38.000 -0.531 0.000 1.381 102 I HN -0.113 nan 8.210 nan 0.000 0.571 103 S N 4.389 120.142 115.700 0.089 0.000 2.593 103 S HA 0.145 4.633 4.470 0.030 0.000 0.269 103 S C 1.032 175.533 174.600 -0.165 0.000 1.334 103 S CA -0.579 57.628 58.200 0.012 0.000 1.015 103 S CB 1.608 64.793 63.200 -0.025 0.000 0.912 103 S HN 0.719 nan 8.310 nan 0.000 0.541 104 S N 1.853 117.431 115.700 -0.203 0.000 2.368 104 S HA -0.027 4.461 4.470 0.030 0.000 0.225 104 S C 2.134 176.287 174.600 -0.744 0.000 1.030 104 S CA 1.361 59.230 58.200 -0.553 0.000 0.999 104 S CB -1.127 61.923 63.200 -0.251 0.000 0.844 104 S HN 0.948 nan 8.310 nan 0.000 0.459 105 G N 1.337 109.979 108.800 -0.264 0.000 2.402 105 G HA2 -0.208 3.770 3.960 0.030 0.000 0.216 105 G HA3 -0.208 3.770 3.960 0.030 0.000 0.216 105 G C 1.055 175.944 174.900 -0.017 0.000 1.162 105 G CA 0.945 46.007 45.100 -0.063 0.000 0.777 105 G HN 0.369 nan 8.290 nan 0.000 0.539 106 D N -0.173 120.223 120.400 -0.006 0.000 2.144 106 D HA -0.081 4.577 4.640 0.030 0.000 0.199 106 D C 2.344 178.723 176.300 0.131 0.000 0.984 106 D CA 0.454 54.612 54.000 0.263 0.000 0.834 106 D CB -0.155 40.835 40.800 0.317 0.000 0.955 106 D HN 0.246 nan 8.370 nan 0.000 0.465 107 L N -0.412 120.675 121.223 -0.227 0.000 2.044 107 L HA -0.071 4.287 4.340 0.030 0.000 0.205 107 L C 1.832 178.588 176.870 -0.191 0.000 1.075 107 L CA 1.399 56.014 54.840 -0.375 0.000 0.747 107 L CB -0.499 41.124 42.059 -0.726 0.000 0.903 107 L HN -0.099 nan 8.230 nan 0.000 0.435 108 F N -0.215 119.710 119.950 -0.043 0.000 2.186 108 F HA -0.133 4.412 4.527 0.030 0.000 0.299 108 F C 2.888 178.691 175.800 0.004 0.000 1.090 108 F CA 1.086 59.084 58.000 -0.005 0.000 1.307 108 F CB -1.766 37.253 39.000 0.033 0.000 1.019 108 F HN 0.320 nan 8.300 nan 0.000 0.489 109 S N 0.039 115.872 115.700 0.222 0.000 2.387 109 S HA -0.113 4.375 4.470 0.030 0.000 0.226 109 S C 1.951 176.590 174.600 0.066 0.000 1.026 109 S CA 0.743 59.058 58.200 0.193 0.000 0.972 109 S CB -0.911 62.491 63.200 0.336 0.000 0.814 109 S HN 0.266 nan 8.310 nan 0.000 0.477 110 L N 2.533 123.673 121.223 -0.137 0.000 2.217 110 L HA 0.297 4.655 4.340 0.030 0.000 0.211 110 L C 2.320 179.012 176.870 -0.296 0.000 1.107 110 L CA 1.490 55.987 54.840 -0.572 0.000 0.783 110 L CB -1.230 40.317 42.059 -0.854 0.000 0.919 110 L HN 0.407 nan 8.230 nan 0.000 0.442 111 G N -1.089 107.637 108.800 -0.123 0.000 2.408 111 G HA2 -0.174 3.804 3.960 0.030 0.000 0.217 111 G HA3 -0.174 3.804 3.960 0.030 0.000 0.217 111 G C 1.498 176.398 174.900 0.001 0.000 1.150 111 G CA 0.515 45.587 45.100 -0.047 0.000 0.776 111 G HN 0.544 nan 8.290 nan 0.000 0.542 112 G N 0.334 109.189 108.800 0.092 0.000 2.402 112 G HA2 -0.094 3.884 3.960 0.030 0.000 0.216 112 G HA3 -0.094 3.884 3.960 0.030 0.000 0.216 112 G C 1.746 176.820 174.900 0.290 0.000 1.162 112 G CA 1.099 46.349 45.100 0.250 0.000 0.777 112 G HN 0.297 nan 8.290 nan 0.000 0.539 113 V N 1.072 121.116 119.914 0.217 0.000 2.358 113 V HA -0.158 3.980 4.120 0.030 0.000 0.246 113 V C 3.160 179.307 176.094 0.088 0.000 1.047 113 V CA 2.306 64.737 62.300 0.217 0.000 1.035 113 V CB -0.779 31.147 31.823 0.171 0.000 0.658 113 V HN 0.381 nan 8.190 nan 0.000 0.452 114 T N 0.439 114.942 114.554 -0.084 0.000 2.746 114 T HA -0.136 4.232 4.350 0.030 0.000 0.267 114 T C 2.081 176.642 174.700 -0.231 0.000 1.039 114 T CA 1.574 63.465 62.100 -0.349 0.000 1.142 114 T CB -0.422 68.069 68.868 -0.628 0.000 0.866 114 T HN 0.557 nan 8.240 nan 0.000 0.444 115 A N 1.044 123.785 122.820 -0.131 0.000 1.877 115 A HA -0.047 4.291 4.320 0.030 0.000 0.216 115 A C 2.600 180.126 177.584 -0.097 0.000 1.186 115 A CA 1.406 53.387 52.037 -0.094 0.000 0.620 115 A CB -1.057 17.911 19.000 -0.054 0.000 0.822 115 A HN 0.342 nan 8.150 nan 0.000 0.443 116 V N -0.041 119.794 119.914 -0.131 0.000 2.261 116 V HA -0.319 3.819 4.120 0.030 0.000 0.246 116 V C 2.675 178.588 176.094 -0.302 0.000 1.047 116 V CA 2.243 64.335 62.300 -0.347 0.000 1.015 116 V CB -0.970 30.533 31.823 -0.533 0.000 0.642 116 V HN 0.618 nan 8.190 nan 0.000 0.446 117 Q N -0.586 119.130 119.800 -0.141 0.000 2.096 117 Q HA -0.231 4.127 4.340 0.030 0.000 0.204 117 Q C 2.331 178.338 176.000 0.011 0.000 0.982 117 Q CA 1.528 57.313 55.803 -0.029 0.000 0.850 117 Q CB -0.188 28.651 28.738 0.170 0.000 0.901 117 Q HN 0.602 nan 8.270 nan 0.000 0.422 118 E N 0.052 120.250 120.200 -0.003 0.000 2.208 118 E HA -0.062 4.306 4.350 0.030 0.000 0.193 118 E C 1.115 177.727 176.600 0.019 0.000 0.988 118 E CA 0.736 57.144 56.400 0.012 0.000 0.828 118 E CB 0.046 29.721 29.700 -0.042 0.000 0.763 118 E HN 0.429 nan 8.360 nan 0.000 0.478 119 M N 0.630 120.227 119.600 -0.005 0.000 2.854 119 M HA 0.056 4.554 4.480 0.030 0.000 0.251 119 M C -0.430 175.911 176.300 0.070 0.000 1.301 119 M CA 0.156 55.479 55.300 0.039 0.000 1.059 119 M CB -0.094 32.535 32.600 0.048 0.000 1.419 119 M HN -0.077 nan 8.290 nan 0.000 0.467 120 Q N -0.598 119.236 119.800 0.058 0.000 2.457 120 Q HA -0.169 4.189 4.340 0.030 0.000 0.283 120 Q C 0.411 176.466 176.000 0.093 0.000 1.234 120 Q CA 0.375 56.237 55.803 0.097 0.000 0.877 120 Q CB -1.974 26.849 28.738 0.143 0.000 1.250 120 Q HN 0.789 nan 8.270 nan 0.000 0.481 121 G N 0.685 109.403 108.800 -0.136 0.000 2.568 121 G HA2 0.645 4.623 3.960 0.030 0.000 0.293 121 G HA3 0.645 4.623 3.960 0.030 0.000 0.293 121 G C -2.316 172.239 174.900 -0.574 0.000 1.347 121 G CA -0.975 43.785 45.100 -0.567 0.000 1.039 121 G HN 0.065 nan 8.290 nan 0.000 0.523 122 P HA 0.196 nan 4.420 nan 0.000 0.272 122 P C -0.847 176.336 177.300 -0.194 0.000 1.240 122 P CA -0.358 62.501 63.100 -0.402 0.000 0.791 122 P CB 0.832 32.274 31.700 -0.429 0.000 0.978 123 K N 2.198 122.569 120.400 -0.048 0.000 2.349 123 K HA 0.320 4.658 4.320 0.030 0.000 0.289 123 K C 0.130 176.746 176.600 0.026 0.000 1.064 123 K CA -0.197 56.098 56.287 0.013 0.000 0.947 123 K CB -0.163 32.356 32.500 0.032 0.000 1.007 123 K HN 0.461 nan 8.250 nan 0.000 0.478 124 I N 6.096 126.713 120.570 0.078 0.000 2.307 124 I HA 0.159 4.347 4.170 0.030 0.000 0.289 124 I C -2.082 174.122 176.117 0.146 0.000 1.021 124 I CA -2.340 59.030 61.300 0.117 0.000 1.224 124 I CB 1.149 39.270 38.000 0.201 0.000 1.376 124 I HN 0.161 nan 8.210 nan 0.000 0.470 125 P HA -0.046 nan 4.420 nan 0.000 0.267 125 P C -1.236 176.122 177.300 0.098 0.000 1.209 125 P CA 0.102 63.214 63.100 0.021 0.000 0.763 125 P CB 0.273 31.928 31.700 -0.074 0.000 0.816 126 W N 5.237 126.485 121.300 -0.087 0.000 2.736 126 W HA 0.515 5.193 4.660 0.029 0.000 0.335 126 W C -0.789 175.613 176.519 -0.195 0.000 1.059 126 W CA -0.730 56.594 57.345 -0.035 0.000 1.226 126 W CB 1.641 31.236 29.460 0.226 0.000 1.416 126 W HN 0.204 nan 8.180 nan 0.000 0.505 127 R N 4.045 123.913 120.500 -1.053 0.000 2.637 127 R HA 0.578 4.936 4.340 0.030 0.000 0.291 127 R C -0.193 175.144 176.300 -1.605 0.000 0.963 127 R CA -0.723 54.681 56.100 -1.159 0.000 0.901 127 R CB 1.257 31.067 30.300 -0.816 0.000 1.160 127 R HN 0.683 nan 8.270 nan 0.000 0.457 128 C N -0.730 117.883 119.300 -1.147 0.000 2.365 128 C HA 0.916 5.394 4.460 0.030 0.000 0.374 128 C C 1.393 176.197 174.990 -0.310 0.000 1.318 128 C CA 0.485 59.003 59.018 -0.833 0.000 2.239 128 C CB 0.544 27.919 27.740 -0.608 0.000 2.144 128 C HN 1.028 nan 8.230 nan 0.000 0.581 129 G N 0.063 108.783 108.800 -0.133 0.000 2.336 129 G HA2 -0.111 3.867 3.960 0.030 0.000 0.194 129 G HA3 -0.111 3.867 3.960 0.030 0.000 0.194 129 G C 0.070 174.899 174.900 -0.118 0.000 0.999 129 G CA -0.334 44.730 45.100 -0.060 0.000 0.669 129 G HN 0.922 nan 8.290 nan 0.000 0.482 130 R N 0.422 120.809 120.500 -0.188 0.000 2.522 130 R HA 0.460 4.818 4.340 0.030 0.000 0.284 130 R C -0.313 175.701 176.300 -0.477 0.000 1.032 130 R CA 0.211 56.068 56.100 -0.406 0.000 1.049 130 R CB 1.276 31.424 30.300 -0.254 0.000 0.956 130 R HN 0.102 nan 8.270 nan 0.000 0.422 131 V N 3.026 122.368 119.914 -0.952 0.000 2.540 131 V HA 0.089 4.227 4.120 0.030 0.000 0.302 131 V C -0.470 175.357 176.094 -0.445 0.000 1.035 131 V CA -1.052 60.938 62.300 -0.517 0.000 0.873 131 V CB 2.003 33.663 31.823 -0.271 0.000 0.992 131 V HN 0.664 nan 8.190 nan 0.000 0.428 132 D N 3.206 123.508 120.400 -0.163 0.000 2.487 132 D HA 0.296 4.954 4.640 0.030 0.000 0.243 132 D C 0.585 176.922 176.300 0.062 0.000 1.154 132 D CA 0.503 54.485 54.000 -0.030 0.000 0.876 132 D CB 0.925 41.740 40.800 0.024 0.000 1.161 132 D HN 0.798 nan 8.370 nan 0.000 0.478 133 T N -0.305 114.338 114.554 0.148 0.000 2.950 133 T HA 0.718 5.086 4.350 0.030 0.000 0.288 133 T C -2.497 172.361 174.700 0.264 0.000 1.035 133 T CA -1.784 60.439 62.100 0.205 0.000 1.028 133 T CB 2.111 71.124 68.868 0.242 0.000 1.109 133 T HN 0.062 nan 8.240 nan 0.000 0.514 134 P HA 0.302 nan 4.420 nan 0.000 0.279 134 P C 0.614 177.710 177.300 -0.340 0.000 1.282 134 P CA -0.417 62.686 63.100 0.005 0.000 0.788 134 P CB 0.853 32.538 31.700 -0.025 0.000 1.139 135 E N -0.277 119.408 120.200 -0.859 0.000 2.273 135 E HA -0.238 4.130 4.350 0.030 0.000 0.198 135 E C 0.970 177.311 176.600 -0.432 0.000 1.002 135 E CA 1.682 57.424 56.400 -1.097 0.000 0.828 135 E CB -0.307 28.847 29.700 -0.911 0.000 0.747 135 E HN 0.486 nan 8.360 nan 0.000 0.491 136 D N -1.507 118.751 120.400 -0.238 0.000 2.347 136 D HA -0.111 4.547 4.640 0.030 0.000 0.215 136 D C 1.490 177.765 176.300 -0.043 0.000 0.976 136 D CA 1.193 55.127 54.000 -0.110 0.000 0.884 136 D CB -0.208 40.551 40.800 -0.069 0.000 0.915 136 D HN 0.142 nan 8.370 nan 0.000 0.526 137 T N -3.937 110.606 114.554 -0.019 0.000 3.086 137 T HA 0.078 4.446 4.350 0.030 0.000 0.250 137 T C 0.740 175.495 174.700 0.092 0.000 1.074 137 T CA -0.392 61.748 62.100 0.067 0.000 0.988 137 T CB -0.587 68.361 68.868 0.133 0.000 0.988 137 T HN -0.084 nan 8.240 nan 0.000 0.530 138 T N 5.116 119.704 114.554 0.056 0.000 2.817 138 T HA 0.272 4.640 4.350 0.030 0.000 0.295 138 T C -2.493 172.257 174.700 0.084 0.000 0.958 138 T CA -0.734 61.432 62.100 0.111 0.000 1.157 138 T CB 0.559 69.484 68.868 0.096 0.000 0.898 138 T HN 0.224 nan 8.240 nan 0.000 0.536 139 P HA 0.124 nan 4.420 nan 0.000 0.271 139 P C -0.065 177.271 177.300 0.059 0.000 1.216 139 P CA -0.350 62.796 63.100 0.076 0.000 0.776 139 P CB 0.487 32.237 31.700 0.084 0.000 0.881 140 D N 2.299 122.726 120.400 0.044 0.000 2.389 140 D HA 0.031 4.689 4.640 0.030 0.000 0.247 140 D C 0.349 176.671 176.300 0.036 0.000 1.128 140 D CA 0.229 54.251 54.000 0.037 0.000 0.884 140 D CB 0.563 41.380 40.800 0.029 0.000 1.194 140 D HN 0.401 nan 8.370 nan 0.000 0.441 141 N N 0.106 118.826 118.700 0.034 0.000 2.265 141 N HA 0.026 4.784 4.740 0.030 0.000 0.231 141 N C 1.159 176.689 175.510 0.032 0.000 1.266 141 N CA 0.655 53.722 53.050 0.028 0.000 0.862 141 N CB 0.379 38.883 38.487 0.028 0.000 1.100 141 N HN 0.656 nan 8.380 nan 0.000 0.439 142 G N 0.258 109.075 108.800 0.028 0.000 2.132 142 G HA2 -0.297 3.681 3.960 0.030 0.000 0.234 142 G HA3 -0.297 3.681 3.960 0.030 0.000 0.234 142 G C 0.778 175.723 174.900 0.075 0.000 0.989 142 G CA 0.042 45.171 45.100 0.048 0.000 0.676 142 G HN 0.639 nan 8.290 nan 0.000 0.522 143 R N -0.857 119.679 120.500 0.059 0.000 2.200 143 R HA 0.304 4.662 4.340 0.030 0.000 0.208 143 R C 1.437 177.854 176.300 0.196 0.000 1.033 143 R CA 0.113 56.278 56.100 0.108 0.000 1.000 143 R CB 0.077 30.410 30.300 0.056 0.000 0.906 143 R HN 0.442 nan 8.270 nan 0.000 0.462 144 L N 2.518 123.769 121.223 0.047 0.000 2.453 144 L HA 0.193 4.551 4.340 0.030 0.000 0.261 144 L C -1.783 175.029 176.870 -0.097 0.000 1.179 144 L CA -1.937 52.877 54.840 -0.044 0.000 0.813 144 L CB 0.210 42.093 42.059 -0.293 0.000 1.110 144 L HN -0.061 nan 8.230 nan 0.000 0.466 145 P HA 0.058 nan 4.420 nan 0.000 0.277 145 P C -1.347 175.952 177.300 -0.002 0.000 1.240 145 P CA -0.402 62.444 63.100 -0.424 0.000 0.798 145 P CB 1.036 32.288 31.700 -0.746 0.000 0.979 146 D N 0.614 121.065 120.400 0.085 0.000 2.198 146 D HA 0.300 4.958 4.640 0.030 0.000 0.245 146 D C 0.901 177.213 176.300 0.019 0.000 1.079 146 D CA -0.472 53.541 54.000 0.021 0.000 0.854 146 D CB 1.918 42.653 40.800 -0.109 0.000 1.148 146 D HN 0.305 nan 8.370 nan 0.000 0.456 147 A N 3.381 126.237 122.820 0.059 0.000 1.970 147 A HA -0.109 4.229 4.320 0.030 0.000 0.216 147 A C 1.376 178.967 177.584 0.013 0.000 1.170 147 A CA 0.611 52.651 52.037 0.005 0.000 0.645 147 A CB -0.009 18.875 19.000 -0.193 0.000 0.816 147 A HN 0.531 nan 8.150 nan 0.000 0.447 148 D N 0.462 120.912 120.400 0.083 0.000 2.826 148 D HA 0.106 4.764 4.640 0.030 0.000 0.247 148 D C 0.313 176.618 176.300 0.009 0.000 1.238 148 D CA 0.385 54.452 54.000 0.112 0.000 0.894 148 D CB -0.131 40.760 40.800 0.152 0.000 1.100 148 D HN 0.195 nan 8.370 nan 0.000 0.453 149 K N 0.078 120.468 120.400 -0.017 0.000 2.208 149 K HA 0.347 4.685 4.320 0.030 0.000 0.241 149 K C 0.031 176.694 176.600 0.106 0.000 1.087 149 K CA -0.693 55.559 56.287 -0.058 0.000 0.883 149 K CB 0.991 33.252 32.500 -0.397 0.000 1.360 149 K HN 0.103 nan 8.250 nan 0.000 0.496 150 D N -1.628 118.868 120.400 0.159 0.000 2.654 150 D HA 0.346 5.004 4.640 0.030 0.000 0.255 150 D C 0.653 177.123 176.300 0.284 0.000 1.101 150 D CA -0.550 53.577 54.000 0.211 0.000 1.116 150 D CB 0.730 41.634 40.800 0.174 0.000 1.348 150 D HN 0.316 nan 8.370 nan 0.000 0.609 151 A N -0.412 122.558 122.820 0.249 0.000 1.940 151 A HA -0.093 4.245 4.320 0.030 0.000 0.219 151 A C 2.014 179.742 177.584 0.241 0.000 1.176 151 A CA 2.898 55.107 52.037 0.286 0.000 0.631 151 A CB -1.699 17.405 19.000 0.174 0.000 0.814 151 A HN 0.779 nan 8.150 nan 0.000 0.446 152 D N -2.140 118.376 120.400 0.193 0.000 2.219 152 D HA -0.161 4.497 4.640 0.030 0.000 0.205 152 D C 1.852 178.306 176.300 0.256 0.000 0.970 152 D CA 1.321 55.423 54.000 0.171 0.000 0.851 152 D CB -0.555 nan 40.800 nan 0.000 0.943 152 D HN 0.721 nan 8.370 nan 0.000 0.488 153 Y N 0.620 121.031 120.300 0.186 0.000 2.153 153 Y HA -0.027 4.539 4.550 0.027 0.000 0.289 153 Y C 2.710 178.802 175.900 0.321 0.000 1.127 153 Y CA 1.492 59.723 58.100 0.219 0.000 1.131 153 Y CB -0.112 38.460 38.460 0.187 0.000 0.995 153 Y HN 0.098 nan 8.280 nan 0.000 0.505 154 V N 1.293 121.486 119.914 0.464 0.000 2.324 154 V HA -0.369 3.769 4.120 0.030 0.000 0.250 154 V C 2.475 178.898 176.094 0.547 0.000 1.060 154 V CA 2.453 65.068 62.300 0.526 0.000 1.042 154 V CB -0.794 31.343 31.823 0.525 0.000 0.650 154 V HN 0.386 nan 8.190 nan 0.000 0.450 155 R N 0.311 121.062 120.500 0.418 0.000 2.092 155 R HA -0.154 4.204 4.340 0.030 0.000 0.231 155 R C 2.332 178.767 176.300 0.225 0.000 1.119 155 R CA 1.980 58.267 56.100 0.313 0.000 0.970 155 R CB -0.315 30.063 30.300 0.130 0.000 0.864 155 R HN 0.731 nan 8.270 nan 0.000 0.440 156 T N -2.255 112.397 114.554 0.162 0.000 3.067 156 T HA -0.032 4.336 4.350 0.030 0.000 0.257 156 T C 1.482 176.191 174.700 0.014 0.000 1.105 156 T CA 0.229 62.377 62.100 0.081 0.000 1.104 156 T CB -0.205 68.702 68.868 0.066 0.000 0.925 156 T HN 0.260 nan 8.240 nan 0.000 0.498 157 F N 1.247 121.130 119.950 -0.111 0.000 2.098 157 F HA 0.195 4.738 4.527 0.027 0.000 0.294 157 F C 1.561 177.300 175.800 -0.103 0.000 1.107 157 F CA 0.713 58.565 58.000 -0.246 0.000 1.234 157 F CB -0.253 38.459 39.000 -0.479 0.000 1.002 157 F HN 0.073 nan 8.300 nan 0.000 0.472 158 F N 1.015 120.915 119.950 -0.083 0.000 2.546 158 F HA -0.106 4.437 4.527 0.027 0.000 0.298 158 F C 2.374 178.126 175.800 -0.080 0.000 1.120 158 F CA 1.048 59.010 58.000 -0.063 0.000 1.456 158 F CB -0.664 38.422 39.000 0.144 0.000 1.088 158 F HN 0.106 nan 8.300 nan 0.000 0.572 159 Q N -0.326 119.518 119.800 0.073 0.000 2.226 159 Q HA -0.189 4.169 4.340 0.030 0.000 0.204 159 Q C 2.310 178.254 176.000 -0.093 0.000 0.975 159 Q CA 0.880 56.700 55.803 0.028 0.000 0.866 159 Q CB -0.153 28.603 28.738 0.030 0.000 0.915 159 Q HN 0.357 nan 8.270 nan 0.000 0.440 160 R N 0.351 120.711 120.500 -0.233 0.000 2.189 160 R HA -0.026 4.332 4.340 0.030 0.000 0.218 160 R C 1.333 177.412 176.300 -0.368 0.000 1.074 160 R CA 0.596 56.464 56.100 -0.385 0.000 0.991 160 R CB 0.179 30.213 30.300 -0.443 0.000 0.883 160 R HN 0.244 nan 8.270 nan 0.000 0.457 161 L N 0.493 121.631 121.223 -0.142 0.000 2.628 161 L HA 0.107 4.465 4.340 0.030 0.000 0.229 161 L C 0.117 177.211 176.870 0.373 0.000 1.137 161 L CA -0.210 54.754 54.840 0.208 0.000 0.909 161 L CB -0.175 42.023 42.059 0.231 0.000 1.137 161 L HN 0.216 nan 8.230 nan 0.000 0.470 162 N N 1.236 120.051 118.700 0.192 0.000 2.738 162 N HA -0.190 4.568 4.740 0.030 0.000 0.249 162 N C -0.611 175.017 175.510 0.197 0.000 1.047 162 N CA 0.687 53.855 53.050 0.197 0.000 0.707 162 N CB -0.351 38.321 38.487 0.308 0.000 0.937 162 N HN 0.099 nan 8.380 nan 0.000 0.545 163 M N 0.700 120.422 119.600 0.204 0.000 2.393 163 M HA 0.351 4.849 4.480 0.030 0.000 0.316 163 M C 0.492 176.878 176.300 0.143 0.000 1.087 163 M CA -0.719 54.693 55.300 0.186 0.000 0.937 163 M CB 1.588 34.349 32.600 0.269 0.000 1.668 163 M HN 0.364 nan 8.290 nan 0.000 0.438 164 N N 0.532 119.292 118.700 0.100 0.000 2.538 164 N HA 0.312 5.070 4.740 0.030 0.000 0.292 164 N C 0.076 175.645 175.510 0.099 0.000 1.262 164 N CA -0.456 52.651 53.050 0.094 0.000 0.976 164 N CB 0.471 39.004 38.487 0.075 0.000 1.161 164 N HN 0.361 nan 8.380 nan 0.000 0.598 165 D N -0.540 119.939 120.400 0.131 0.000 2.126 165 D HA -0.220 4.438 4.640 0.030 0.000 0.190 165 D C 1.685 178.072 176.300 0.145 0.000 1.001 165 D CA 1.627 55.762 54.000 0.224 0.000 0.841 165 D CB -0.191 40.719 40.800 0.182 0.000 0.949 165 D HN 0.672 nan 8.370 nan 0.000 0.446 166 R N 0.721 121.280 120.500 0.097 0.000 2.120 166 R HA -0.117 4.241 4.340 0.030 0.000 0.234 166 R C 1.846 178.219 176.300 0.121 0.000 1.123 166 R CA 1.287 57.445 56.100 0.096 0.000 0.975 166 R CB 0.057 30.412 30.300 0.090 0.000 0.866 166 R HN 0.244 nan 8.270 nan 0.000 0.446 167 E N -0.198 120.041 120.200 0.064 0.000 2.046 167 E HA -0.145 4.222 4.350 0.030 0.000 0.190 167 E C 2.026 178.574 176.600 -0.086 0.000 0.982 167 E CA 1.321 57.737 56.400 0.028 0.000 0.800 167 E CB -0.022 29.697 29.700 0.032 0.000 0.756 167 E HN 0.302 nan 8.360 nan 0.000 0.449 168 V N 0.163 119.928 119.914 -0.248 0.000 2.427 168 V HA -0.171 3.967 4.120 0.030 0.000 0.248 168 V C 2.081 177.927 176.094 -0.413 0.000 1.051 168 V CA 1.405 63.328 62.300 -0.628 0.000 1.048 168 V CB -0.234 30.926 31.823 -1.105 0.000 0.666 168 V HN 0.065 nan 8.190 nan 0.000 0.456 169 V N 1.175 120.959 119.914 -0.217 0.000 2.358 169 V HA -0.130 4.008 4.120 0.030 0.000 0.246 169 V C 3.104 179.376 176.094 0.297 0.000 1.047 169 V CA 2.117 64.400 62.300 -0.029 0.000 1.035 169 V CB -1.453 30.376 31.823 0.010 0.000 0.658 169 V HN 0.696 nan 8.190 nan 0.000 0.452 170 A N -0.140 122.898 122.820 0.365 0.000 1.873 170 A HA -0.131 4.207 4.320 0.030 0.000 0.215 170 A C 2.202 180.044 177.584 0.431 0.000 1.186 170 A CA 1.669 53.999 52.037 0.489 0.000 0.616 170 A CB -0.578 18.631 19.000 0.348 0.000 0.823 170 A HN 0.483 nan 8.150 nan 0.000 0.442 171 L N -1.750 119.558 121.223 0.141 0.000 2.191 171 L HA -0.149 4.209 4.340 0.030 0.000 0.212 171 L C 2.618 179.387 176.870 -0.168 0.000 1.103 171 L CA 1.331 56.190 54.840 0.032 0.000 0.769 171 L CB -0.281 41.692 42.059 -0.143 0.000 0.908 171 L HN 0.410 nan 8.230 nan 0.000 0.438 172 M N -0.484 118.921 119.600 -0.325 0.000 2.492 172 M HA 0.026 4.524 4.480 0.030 0.000 0.262 172 M C 1.862 177.489 176.300 -1.121 0.000 1.090 172 M CA 0.842 55.694 55.300 -0.746 0.000 1.110 172 M CB -0.262 31.997 32.600 -0.568 0.000 1.407 172 M HN 0.105 nan 8.290 nan 0.000 0.470 173 G N -0.867 107.610 108.800 -0.538 0.000 2.625 173 G HA2 0.003 3.981 3.960 0.030 0.000 0.214 173 G HA3 0.003 3.981 3.960 0.030 0.000 0.214 173 G C 1.342 175.841 174.900 -0.667 0.000 1.132 173 G CA 0.646 45.347 45.100 -0.664 0.000 0.782 173 G HN 0.569 nan 8.290 nan 0.000 0.538 174 A N -0.383 122.098 122.820 -0.564 0.000 2.235 174 A HA 0.133 4.471 4.320 0.030 0.000 0.208 174 A C 1.616 178.875 177.584 -0.542 0.000 1.172 174 A CA 0.390 52.167 52.037 -0.434 0.000 0.786 174 A CB -0.556 18.349 19.000 -0.159 0.000 0.804 174 A HN 0.594 nan 8.150 nan 0.000 0.479 175 H N -1.193 117.224 119.070 -1.088 0.000 2.556 175 H HA 0.177 4.751 4.556 0.029 0.000 0.268 175 H C 2.093 176.809 175.328 -1.021 0.000 0.996 175 H CA 0.166 55.293 56.048 -1.535 0.000 1.157 175 H CB 0.299 28.668 29.762 -2.321 0.000 1.355 175 H HN 0.585 nan 8.280 nan 0.000 0.597 176 A N 0.738 123.237 122.820 -0.535 0.000 2.119 176 A HA 0.032 4.370 4.320 0.030 0.000 0.217 176 A C 0.806 178.300 177.584 -0.150 0.000 1.153 176 A CA 0.363 52.243 52.037 -0.261 0.000 0.692 176 A CB -0.082 18.712 19.000 -0.344 0.000 0.799 176 A HN 0.184 nan 8.150 nan 0.000 0.458 177 L N -0.749 120.370 121.223 -0.174 0.000 2.309 177 L HA 0.607 4.965 4.340 0.030 0.000 0.282 177 L C 1.082 177.996 176.870 0.073 0.000 1.036 177 L CA 0.111 54.934 54.840 -0.028 0.000 0.806 177 L CB 1.114 43.171 42.059 -0.003 0.000 1.220 177 L HN 0.518 nan 8.230 nan 0.000 0.429 178 G N 2.755 111.638 108.800 0.138 0.000 2.593 178 G HA2 -0.200 3.778 3.960 0.030 0.000 0.237 178 G HA3 -0.200 3.778 3.960 0.030 0.000 0.237 178 G C -0.800 174.264 174.900 0.273 0.000 1.312 178 G CA 0.201 45.425 45.100 0.206 0.000 0.896 178 G HN 0.955 nan 8.290 nan 0.000 0.574 179 K N -2.094 118.419 120.400 0.189 0.000 2.533 179 K HA 0.753 5.091 4.320 0.030 0.000 0.284 179 K C -0.580 175.826 176.600 -0.323 0.000 1.025 179 K CA -0.286 55.902 56.287 -0.164 0.000 0.900 179 K CB 1.376 33.684 32.500 -0.320 0.000 1.519 179 K HN 1.313 nan 8.250 nan 0.000 0.432 180 T N -0.618 113.601 114.554 -0.557 0.000 2.795 180 T HA 0.422 4.790 4.350 0.030 0.000 0.282 180 T C -0.834 173.654 174.700 -0.353 0.000 0.980 180 T CA -0.666 61.235 62.100 -0.332 0.000 1.012 180 T CB 0.436 69.100 68.868 -0.339 0.000 0.936 180 T HN 0.568 nan 8.240 nan 0.000 0.457 181 H N 2.051 121.110 119.070 -0.018 0.000 2.476 181 H HA 0.423 4.997 4.556 0.030 0.000 0.328 181 H C 0.866 176.194 175.328 -0.000 0.000 1.073 181 H CA -1.030 55.007 56.048 -0.018 0.000 1.229 181 H CB 1.615 31.370 29.762 -0.012 0.000 1.432 181 H HN 0.482 nan 8.280 nan 0.000 0.477 182 L N 3.099 124.362 121.223 0.067 0.000 2.042 182 L HA -0.188 4.170 4.340 0.030 0.000 0.210 182 L C 2.124 179.013 176.870 0.031 0.000 1.076 182 L CA 1.731 56.584 54.840 0.022 0.000 0.749 182 L CB -0.237 41.813 42.059 -0.015 0.000 0.893 182 L HN 0.700 nan 8.230 nan 0.000 0.432 183 K N -1.940 118.490 120.400 0.050 0.000 2.362 183 K HA -0.088 4.249 4.320 0.030 0.000 0.200 183 K C 1.455 178.079 176.600 0.041 0.000 1.046 183 K CA 1.414 57.721 56.287 0.033 0.000 0.952 183 K CB -0.276 32.240 32.500 0.026 0.000 0.753 183 K HN 0.304 nan 8.250 nan 0.000 0.466 184 N N 0.886 119.631 118.700 0.075 0.000 2.322 184 N HA -0.060 4.698 4.740 0.030 0.000 0.186 184 N C 1.569 177.139 175.510 0.100 0.000 1.037 184 N CA 1.742 54.838 53.050 0.078 0.000 0.869 184 N CB 0.233 38.776 38.487 0.093 0.000 1.036 184 N HN 0.420 nan 8.380 nan 0.000 0.439 185 S N -2.194 113.589 115.700 0.138 0.000 2.559 185 S HA 0.406 4.894 4.470 0.030 0.000 0.226 185 S C 1.241 175.921 174.600 0.133 0.000 1.030 185 S CA 0.405 58.714 58.200 0.182 0.000 0.956 185 S CB 1.141 64.509 63.200 0.281 0.000 0.900 185 S HN 0.402 nan 8.310 nan 0.000 0.510 186 G N 0.239 109.050 108.800 0.018 0.000 2.141 186 G HA2 -0.206 3.772 3.960 0.030 0.000 0.231 186 G HA3 -0.206 3.772 3.960 0.030 0.000 0.231 186 G C -0.333 174.323 174.900 -0.407 0.000 0.984 186 G CA 0.069 45.056 45.100 -0.188 0.000 0.660 186 G HN 0.538 nan 8.290 nan 0.000 0.525 187 Y N -0.354 119.927 120.300 -0.031 0.000 2.462 187 Y HA 0.704 5.271 4.550 0.027 0.000 0.346 187 Y C 0.057 175.887 175.900 -0.117 0.000 0.976 187 Y CA -1.116 56.938 58.100 -0.076 0.000 1.044 187 Y CB 2.261 40.671 38.460 -0.083 0.000 1.230 187 Y HN 0.153 nan 8.280 nan 0.000 0.455 188 E N 1.117 121.316 120.200 -0.001 0.000 2.272 188 E HA 0.735 5.103 4.350 0.030 0.000 0.269 188 E C -0.452 176.063 176.600 -0.140 0.000 0.877 188 E CA -0.203 56.143 56.400 -0.089 0.000 0.755 188 E CB 1.927 31.587 29.700 -0.068 0.000 1.192 188 E HN 0.910 nan 8.360 nan 0.000 0.422 189 G N 3.440 112.114 108.800 -0.211 0.000 2.515 189 G HA2 0.008 3.986 3.960 0.030 0.000 0.686 189 G HA3 0.008 3.986 3.960 0.030 0.000 0.686 189 G C -2.962 171.747 174.900 -0.320 0.000 1.274 189 G CA -0.510 44.473 45.100 -0.195 0.000 0.874 189 G HN 0.523 nan 8.290 nan 0.000 0.631 190 P HA 0.339 nan 4.420 nan 0.000 0.280 190 P C 0.368 177.594 177.300 -0.123 0.000 1.272 190 P CA -0.621 62.380 63.100 -0.165 0.000 0.819 190 P CB 1.089 32.775 31.700 -0.024 0.000 1.122 191 W N 0.139 121.400 121.300 -0.064 0.000 2.942 191 W HA 0.197 4.874 4.660 0.028 0.000 0.263 191 W C 0.976 177.342 176.519 -0.255 0.000 1.296 191 W CA 0.503 57.835 57.345 -0.022 0.000 1.504 191 W CB 0.472 29.968 29.460 0.059 0.000 1.096 191 W HN 0.478 nan 8.180 nan 0.000 0.639 192 G N -1.271 107.391 108.800 -0.230 0.000 2.911 192 G HA2 0.465 4.443 3.960 0.030 0.000 0.299 192 G HA3 0.465 4.443 3.960 0.030 0.000 0.299 192 G C -0.067 174.463 174.900 -0.617 0.000 1.283 192 G CA 0.193 44.865 45.100 -0.713 0.000 0.805 192 G HN -0.138 nan 8.290 nan 0.000 0.548 193 A N -1.400 121.207 122.820 -0.356 0.000 2.108 193 A HA 0.644 4.982 4.320 0.030 0.000 0.206 193 A C 1.566 179.148 177.584 -0.003 0.000 1.212 193 A CA 1.443 53.456 52.037 -0.041 0.000 0.843 193 A CB 0.053 19.123 19.000 0.116 0.000 0.902 193 A HN 1.678 nan 8.150 nan 0.000 0.477 194 A N 1.206 124.012 122.820 -0.023 0.000 3.215 194 A HA 0.313 4.651 4.320 0.030 0.000 0.269 194 A C 0.391 177.984 177.584 0.014 0.000 1.517 194 A CA -0.470 51.573 52.037 0.010 0.000 1.221 194 A CB -0.763 18.246 19.000 0.015 0.000 1.160 194 A HN 0.407 nan 8.150 nan 0.000 0.620 195 N N 1.486 120.201 118.700 0.026 0.000 2.417 195 N HA -0.177 4.581 4.740 0.030 0.000 0.187 195 N C 0.676 176.221 175.510 0.057 0.000 1.027 195 N CA 1.617 54.695 53.050 0.046 0.000 0.891 195 N CB -0.248 38.271 38.487 0.054 0.000 0.956 195 N HN 0.942 nan 8.380 nan 0.000 0.442 196 N N -0.891 117.845 118.700 0.060 0.000 2.451 196 N HA 0.147 4.905 4.740 0.030 0.000 0.271 196 N C -0.966 174.591 175.510 0.078 0.000 1.410 196 N CA -0.334 52.758 53.050 0.070 0.000 0.884 196 N CB 0.807 39.340 38.487 0.075 0.000 1.332 196 N HN -0.090 nan 8.380 nan 0.000 0.498 197 V N 0.455 120.417 119.914 0.081 0.000 2.610 197 V HA 0.400 4.538 4.120 0.030 0.000 0.298 197 V C -1.371 174.799 176.094 0.127 0.000 1.067 197 V CA -0.783 61.584 62.300 0.111 0.000 0.894 197 V CB 1.214 33.096 31.823 0.098 0.000 1.015 197 V HN 0.236 nan 8.190 nan 0.000 0.432 198 F N 7.515 127.459 119.950 -0.010 0.000 2.516 198 F HA 0.487 5.032 4.527 0.030 0.000 0.351 198 F C 0.942 176.855 175.800 0.188 0.000 1.208 198 F CA 1.336 59.314 58.000 -0.036 0.000 1.073 198 F CB 0.255 39.107 39.000 -0.247 0.000 1.203 198 F HN 0.819 nan 8.300 nan 0.000 0.602 199 T N 0.461 115.010 114.554 -0.009 0.000 2.724 199 T HA 0.278 4.646 4.350 0.030 0.000 0.274 199 T C 0.453 175.203 174.700 0.084 0.000 0.984 199 T CA -0.613 61.591 62.100 0.174 0.000 1.024 199 T CB 1.233 70.158 68.868 0.094 0.000 1.320 199 T HN 0.545 nan 8.240 nan 0.000 0.555 200 N N -0.943 117.809 118.700 0.087 0.000 2.295 200 N HA 0.118 4.876 4.740 0.030 0.000 0.221 200 N C 1.155 176.649 175.510 -0.027 0.000 1.129 200 N CA -0.465 52.550 53.050 -0.058 0.000 0.836 200 N CB 0.239 38.720 38.487 -0.010 0.000 1.040 200 N HN 0.665 nan 8.380 nan 0.000 0.494 201 E N 0.642 120.807 120.200 -0.058 0.000 2.130 201 E HA -0.247 4.121 4.350 0.030 0.000 0.196 201 E C 1.097 177.652 176.600 -0.075 0.000 0.998 201 E CA 1.030 57.402 56.400 -0.046 0.000 0.806 201 E CB -0.104 29.563 29.700 -0.055 0.000 0.738 201 E HN 0.526 nan 8.360 nan 0.000 0.459 202 F N 0.436 120.180 119.950 -0.344 0.000 2.091 202 F HA -0.290 4.255 4.527 0.028 0.000 0.299 202 F C 1.629 177.184 175.800 -0.408 0.000 1.103 202 F CA 1.766 59.489 58.000 -0.460 0.000 1.228 202 F CB -0.510 37.996 39.000 -0.823 0.000 0.984 202 F HN 0.083 nan 8.300 nan 0.000 0.477 203 Y N -0.223 119.907 120.300 -0.283 0.000 2.220 203 Y HA -0.091 4.476 4.550 0.029 0.000 0.291 203 Y C 2.431 178.219 175.900 -0.187 0.000 1.129 203 Y CA 1.151 59.075 58.100 -0.294 0.000 1.161 203 Y CB -0.946 37.408 38.460 -0.177 0.000 0.997 203 Y HN 0.035 nan 8.280 nan 0.000 0.522 204 L N -0.072 121.172 121.223 0.035 0.000 1.994 204 L HA -0.262 4.096 4.340 0.030 0.000 0.208 204 L C 1.969 178.867 176.870 0.046 0.000 1.071 204 L CA 1.472 56.333 54.840 0.034 0.000 0.745 204 L CB -0.567 41.512 42.059 0.033 0.000 0.892 204 L HN 0.234 nan 8.230 nan 0.000 0.431 205 N N -0.153 118.582 118.700 0.059 0.000 2.289 205 N HA -0.165 4.593 4.740 0.030 0.000 0.184 205 N C 1.646 177.389 175.510 0.389 0.000 1.016 205 N CA 0.858 54.028 53.050 0.202 0.000 0.872 205 N CB -0.285 38.360 38.487 0.264 0.000 0.973 205 N HN 0.120 nan 8.380 nan 0.000 0.433 206 L N 0.525 121.839 121.223 0.151 0.000 2.056 206 L HA -0.034 4.324 4.340 0.030 0.000 0.207 206 L C 1.648 178.683 176.870 0.275 0.000 1.078 206 L CA 1.434 56.352 54.840 0.130 0.000 0.749 206 L CB -0.592 41.248 42.059 -0.366 0.000 0.901 206 L HN 0.175 nan 8.230 nan 0.000 0.433 207 L N -4.189 117.101 121.223 0.112 0.000 2.463 207 L HA 0.238 4.596 4.340 0.030 0.000 0.219 207 L C 1.616 178.525 176.870 0.066 0.000 1.088 207 L CA 1.024 55.909 54.840 0.075 0.000 0.849 207 L CB -1.044 41.019 42.059 0.006 0.000 1.012 207 L HN 0.089 nan 8.230 nan 0.000 0.468 208 N N -0.577 118.155 118.700 0.054 0.000 2.373 208 N HA 0.052 4.810 4.740 0.030 0.000 0.181 208 N C 0.218 175.679 175.510 -0.083 0.000 1.082 208 N CA -0.012 53.036 53.050 -0.003 0.000 0.885 208 N CB 0.344 38.834 38.487 0.004 0.000 0.977 208 N HN 0.358 nan 8.380 nan 0.000 0.462 209 E N 0.843 120.943 120.200 -0.167 0.000 2.250 209 E HA 0.126 4.494 4.350 0.030 0.000 0.265 209 E C -1.011 175.202 176.600 -0.646 0.000 1.033 209 E CA -0.203 55.883 56.400 -0.524 0.000 0.888 209 E CB 0.962 30.087 29.700 -0.958 0.000 1.151 209 E HN 0.010 nan 8.360 nan 0.000 0.412 210 D N 1.162 121.193 120.400 -0.616 0.000 2.468 210 D HA 0.159 4.817 4.640 0.030 0.000 0.218 210 D C -0.956 175.165 176.300 -0.298 0.000 1.155 210 D CA -0.179 53.617 54.000 -0.339 0.000 0.924 210 D CB 0.062 40.734 40.800 -0.213 0.000 1.029 210 D HN 0.106 nan 8.370 nan 0.000 0.515 211 W N 3.031 124.427 121.300 0.161 0.000 2.335 211 W HA 0.359 5.038 4.660 0.032 0.000 0.306 211 W C 0.710 177.400 176.519 0.285 0.000 1.216 211 W CA -0.988 56.503 57.345 0.244 0.000 1.237 211 W CB 0.879 30.523 29.460 0.306 0.000 1.243 211 W HN -0.105 nan 8.180 nan 0.000 0.493 212 K N 3.192 123.853 120.400 0.435 0.000 2.292 212 K HA 0.379 4.717 4.320 0.030 0.000 0.257 212 K C -1.167 175.400 176.600 -0.055 0.000 0.940 212 K CA -1.292 55.100 56.287 0.175 0.000 0.811 212 K CB 1.774 34.315 32.500 0.069 0.000 1.120 212 K HN 0.352 nan 8.250 nan 0.000 0.428 213 L N 3.985 124.933 121.223 -0.459 0.000 2.315 213 L HA 0.232 4.590 4.340 0.030 0.000 0.283 213 L C -0.570 176.038 176.870 -0.437 0.000 1.089 213 L CA 0.809 55.116 54.840 -0.888 0.000 0.833 213 L CB 0.349 41.581 42.059 -1.378 0.000 1.170 213 L HN 0.639 nan 8.230 nan 0.000 0.442 214 E N 3.813 123.813 120.200 -0.334 0.000 2.440 214 E HA 0.548 4.916 4.350 0.030 0.000 0.263 214 E C -1.146 175.346 176.600 -0.181 0.000 0.938 214 E CA -1.172 55.109 56.400 -0.198 0.000 0.831 214 E CB 1.707 31.335 29.700 -0.120 0.000 1.456 214 E HN 0.446 nan 8.360 nan 0.000 0.427 215 K N 1.073 121.395 120.400 -0.130 0.000 2.259 215 K HA 0.340 4.678 4.320 0.030 0.000 0.249 215 K C -0.497 176.044 176.600 -0.098 0.000 0.942 215 K CA -0.847 55.370 56.287 -0.117 0.000 0.816 215 K CB 1.200 33.637 32.500 -0.105 0.000 1.155 215 K HN 0.437 nan 8.250 nan 0.000 0.428 216 N N -0.272 118.364 118.700 -0.106 0.000 2.566 216 N HA 0.129 4.887 4.740 0.030 0.000 0.299 216 N C -0.107 175.347 175.510 -0.093 0.000 1.277 216 N CA -0.552 52.441 53.050 -0.094 0.000 0.965 216 N CB 0.204 38.629 38.487 -0.102 0.000 1.142 216 N HN 0.343 nan 8.380 nan 0.000 0.596 217 D N -1.341 119.010 120.400 -0.082 0.000 2.371 217 D HA 0.078 4.736 4.640 0.030 0.000 0.221 217 D C 0.672 176.923 176.300 -0.082 0.000 0.986 217 D CA 0.680 54.637 54.000 -0.071 0.000 0.899 217 D CB -0.308 40.459 40.800 -0.055 0.000 0.902 217 D HN 0.649 nan 8.370 nan 0.000 0.530 218 A N 0.108 122.860 122.820 -0.114 0.000 2.387 218 A HA 0.173 4.511 4.320 0.030 0.000 0.234 218 A C 0.953 178.451 177.584 -0.143 0.000 1.253 218 A CA -0.013 51.948 52.037 -0.128 0.000 0.894 218 A CB -0.310 18.591 19.000 -0.164 0.000 0.963 218 A HN 0.114 nan 8.150 nan 0.000 0.508 219 N N -0.895 117.726 118.700 -0.130 0.000 2.936 219 N HA -0.148 4.610 4.740 0.030 0.000 0.236 219 N C -0.512 174.911 175.510 -0.145 0.000 0.930 219 N CA 1.067 54.046 53.050 -0.118 0.000 0.966 219 N CB -1.350 37.084 38.487 -0.089 0.000 1.090 219 N HN 0.551 nan 8.380 nan 0.000 0.592 220 N N 1.203 119.770 118.700 -0.222 0.000 2.515 220 N HA 0.142 4.900 4.740 0.030 0.000 0.279 220 N C -0.524 174.876 175.510 -0.183 0.000 1.164 220 N CA 0.171 53.059 53.050 -0.270 0.000 0.982 220 N CB 0.589 38.696 38.487 -0.633 0.000 1.170 220 N HN 0.234 nan 8.380 nan 0.000 0.474 221 E N 1.264 121.414 120.200 -0.083 0.000 2.227 221 E HA 0.188 4.556 4.350 0.030 0.000 0.282 221 E C -0.331 176.287 176.600 0.030 0.000 1.015 221 E CA -0.433 55.920 56.400 -0.078 0.000 0.823 221 E CB 1.248 30.871 29.700 -0.129 0.000 1.081 221 E HN 0.500 nan 8.360 nan 0.000 0.396 222 Q N 1.423 121.178 119.800 -0.074 0.000 2.456 222 Q HA 0.431 4.789 4.340 0.030 0.000 0.284 222 Q C -1.402 174.460 176.000 -0.230 0.000 1.061 222 Q CA -1.069 54.723 55.803 -0.018 0.000 0.799 222 Q CB 1.085 29.920 28.738 0.162 0.000 1.445 222 Q HN 0.386 nan 8.270 nan 0.000 0.411 223 W N 1.629 122.877 121.300 -0.086 0.000 2.332 223 W HA 0.395 5.069 4.660 0.023 0.000 0.306 223 W C -0.828 175.775 176.519 0.140 0.000 1.149 223 W CA 0.181 57.477 57.345 -0.081 0.000 1.271 223 W CB 0.975 30.215 29.460 -0.365 0.000 1.243 223 W HN 0.477 nan 8.180 nan 0.000 0.459 224 D N 1.494 122.126 120.400 0.388 0.000 2.342 224 D HA 0.410 5.068 4.640 0.030 0.000 0.243 224 D C -0.097 176.432 176.300 0.382 0.000 1.019 224 D CA -0.521 53.714 54.000 0.391 0.000 0.864 224 D CB 1.764 42.651 40.800 0.145 0.000 1.315 224 D HN 0.219 nan 8.370 nan 0.000 0.468 225 S N -0.177 115.634 115.700 0.185 0.000 2.718 225 S HA 0.365 4.853 4.470 0.030 0.000 0.300 225 S C 0.913 175.400 174.600 -0.188 0.000 1.117 225 S CA -0.696 57.374 58.200 -0.216 0.000 1.002 225 S CB 1.902 64.678 63.200 -0.707 0.000 1.092 225 S HN 0.398 nan 8.310 nan 0.000 0.542 226 K N 0.518 120.773 120.400 -0.241 0.000 2.211 226 K HA 0.088 4.425 4.320 0.030 0.000 0.203 226 K C 1.598 178.047 176.600 -0.253 0.000 1.050 226 K CA 1.471 57.641 56.287 -0.196 0.000 0.945 226 K CB -0.590 31.809 32.500 -0.169 0.000 0.732 226 K HN 0.355 nan 8.250 nan 0.000 0.451 227 S N 0.044 115.499 115.700 -0.409 0.000 2.515 227 S HA 0.092 4.580 4.470 0.030 0.000 0.231 227 S C 1.376 175.628 174.600 -0.579 0.000 0.987 227 S CA 0.735 58.580 58.200 -0.592 0.000 0.936 227 S CB -0.204 62.384 63.200 -1.020 0.000 0.766 227 S HN 0.762 nan 8.310 nan 0.000 0.528 228 G N -0.114 108.476 108.800 -0.350 0.000 2.176 228 G HA2 -0.230 3.748 3.960 0.030 0.000 0.232 228 G HA3 -0.230 3.748 3.960 0.030 0.000 0.232 228 G C 0.022 174.959 174.900 0.062 0.000 0.986 228 G CA -0.072 44.952 45.100 -0.125 0.000 0.643 228 G HN 0.403 nan 8.290 nan 0.000 0.522 229 Y N 0.130 120.464 120.300 0.056 0.000 2.230 229 Y HA 0.781 5.348 4.550 0.029 0.000 0.354 229 Y C 0.827 176.869 175.900 0.237 0.000 1.343 229 Y CA -0.602 57.583 58.100 0.141 0.000 1.693 229 Y CB 0.305 38.911 38.460 0.243 0.000 1.553 229 Y HN 0.543 nan 8.280 nan 0.000 0.599 230 M N 0.099 119.934 119.600 0.393 0.000 2.721 230 M HA 0.760 5.258 4.480 0.030 0.000 0.271 230 M C -1.762 174.480 176.300 -0.097 0.000 1.259 230 M CA -0.991 54.410 55.300 0.167 0.000 0.835 230 M CB 2.358 34.921 32.600 -0.061 0.000 1.689 230 M HN 0.320 nan 8.290 nan 0.000 0.470 231 M N 2.058 121.551 119.600 -0.179 0.000 2.421 231 M HA 0.561 5.059 4.480 0.030 0.000 0.287 231 M C -1.605 174.692 176.300 -0.006 0.000 1.183 231 M CA -0.355 54.856 55.300 -0.148 0.000 0.916 231 M CB 2.290 34.602 32.600 -0.480 0.000 1.701 231 M HN 0.942 nan 8.290 nan 0.000 0.470 232 L N 3.004 124.270 121.223 0.071 0.000 2.456 232 L HA 0.316 4.673 4.340 0.030 0.000 0.257 232 L C -1.380 175.576 176.870 0.145 0.000 1.162 232 L CA -1.394 53.430 54.840 -0.026 0.000 0.808 232 L CB 0.195 42.198 42.059 -0.093 0.000 1.136 232 L HN 0.454 nan 8.230 nan 0.000 0.466 233 P HA -0.155 nan 4.420 nan 0.000 0.218 233 P C 1.411 178.838 177.300 0.211 0.000 1.148 233 P CA 1.417 64.688 63.100 0.286 0.000 0.822 233 P CB 0.051 31.900 31.700 0.248 0.000 0.784 234 T N -4.438 110.217 114.554 0.169 0.000 2.951 234 T HA -0.099 4.269 4.350 0.030 0.000 0.268 234 T C 1.462 176.270 174.700 0.180 0.000 1.073 234 T CA 1.080 63.296 62.100 0.194 0.000 1.134 234 T CB -0.793 68.204 68.868 0.215 0.000 0.884 234 T HN 0.016 nan 8.240 nan 0.000 0.479 235 D N 0.360 120.881 120.400 0.202 0.000 2.091 235 D HA -0.032 4.626 4.640 0.030 0.000 0.199 235 D C 1.702 178.019 176.300 0.028 0.000 0.980 235 D CA 1.030 55.172 54.000 0.236 0.000 0.831 235 D CB -0.518 40.501 40.800 0.364 0.000 0.987 235 D HN 0.419 nan 8.370 nan 0.000 0.460 236 Y N 1.917 122.089 120.300 -0.213 0.000 2.333 236 Y HA -0.218 4.347 4.550 0.026 0.000 0.290 236 Y C 2.414 178.148 175.900 -0.278 0.000 1.144 236 Y CA 1.564 59.383 58.100 -0.468 0.000 1.228 236 Y CB -0.218 37.675 38.460 -0.945 0.000 0.985 236 Y HN -0.049 nan 8.280 nan 0.000 0.542 237 S N -0.594 115.090 115.700 -0.026 0.000 2.469 237 S HA -0.151 4.337 4.470 0.030 0.000 0.238 237 S C 1.819 176.450 174.600 0.053 0.000 0.998 237 S CA 1.107 59.330 58.200 0.037 0.000 0.957 237 S CB -0.858 62.445 63.200 0.172 0.000 0.764 237 S HN 0.543 nan 8.310 nan 0.000 0.514 238 L N 0.906 122.115 121.223 -0.024 0.000 2.291 238 L HA 0.109 4.467 4.340 0.030 0.000 0.214 238 L C 2.261 179.104 176.870 -0.046 0.000 1.120 238 L CA 1.191 56.029 54.840 -0.004 0.000 0.799 238 L CB -0.585 41.417 42.059 -0.094 0.000 0.925 238 L HN 0.549 nan 8.230 nan 0.000 0.446 239 I N -5.095 115.332 120.570 -0.238 0.000 3.968 239 I HA 0.011 4.199 4.170 0.030 0.000 0.328 239 I C 1.992 177.959 176.117 -0.250 0.000 1.290 239 I CA 0.201 61.339 61.300 -0.270 0.000 1.163 239 I CB -0.032 37.727 38.000 -0.400 0.000 1.024 239 I HN 0.109 nan 8.210 nan 0.000 0.413 240 Q N 1.578 121.238 119.800 -0.233 0.000 2.163 240 Q HA 0.005 4.363 4.340 0.030 0.000 0.198 240 Q C 0.182 176.153 176.000 -0.049 0.000 0.954 240 Q CA 0.807 56.529 55.803 -0.135 0.000 0.851 240 Q CB 0.088 28.779 28.738 -0.079 0.000 0.928 240 Q HN 0.539 nan 8.270 nan 0.000 0.459 241 D N 0.897 121.291 120.400 -0.010 0.000 2.308 241 D HA 0.015 4.673 4.640 0.030 0.000 0.251 241 D C -1.545 174.732 176.300 -0.038 0.000 1.127 241 D CA -1.905 52.074 54.000 -0.035 0.000 0.876 241 D CB 1.265 42.008 40.800 -0.095 0.000 1.176 241 D HN -0.121 nan 8.370 nan 0.000 0.446 242 P HA -0.150 nan 4.420 nan 0.000 0.218 242 P C 0.526 177.799 177.300 -0.044 0.000 1.149 242 P CA 1.196 64.269 63.100 -0.045 0.000 0.817 242 P CB 0.350 32.024 31.700 -0.043 0.000 0.785 243 K N -1.439 118.918 120.400 -0.072 0.000 2.116 243 K HA -0.061 4.277 4.320 0.030 0.000 0.203 243 K C 2.290 178.906 176.600 0.027 0.000 1.052 243 K CA 1.017 57.266 56.287 -0.062 0.000 0.952 243 K CB -0.433 31.991 32.500 -0.128 0.000 0.729 243 K HN 0.061 nan 8.250 nan 0.000 0.446 244 Y N 0.997 121.266 120.300 -0.052 0.000 2.337 244 Y HA -0.019 4.550 4.550 0.031 0.000 0.293 244 Y C 1.973 177.822 175.900 -0.084 0.000 1.123 244 Y CA -0.001 58.064 58.100 -0.058 0.000 1.201 244 Y CB -0.347 38.092 38.460 -0.035 0.000 1.011 244 Y HN 0.024 nan 8.280 nan 0.000 0.545 245 L N -0.074 121.194 121.223 0.075 0.000 2.093 245 L HA -0.161 4.197 4.340 0.030 0.000 0.208 245 L C 1.898 178.734 176.870 -0.055 0.000 1.085 245 L CA 2.214 57.044 54.840 -0.017 0.000 0.755 245 L CB -0.666 41.369 42.059 -0.040 0.000 0.904 245 L HN 0.274 nan 8.230 nan 0.000 0.435 246 S N -1.077 114.589 115.700 -0.056 0.000 2.561 246 S HA 0.027 4.515 4.470 0.030 0.000 0.225 246 S C 1.734 176.240 174.600 -0.156 0.000 0.977 246 S CA 0.382 58.529 58.200 -0.088 0.000 0.926 246 S CB -0.164 62.996 63.200 -0.066 0.000 0.769 246 S HN 0.506 nan 8.310 nan 0.000 0.533 247 I N 0.369 120.823 120.570 -0.194 0.000 3.081 247 I HA 0.057 4.245 4.170 0.030 0.000 0.274 247 I C 2.011 177.787 176.117 -0.569 0.000 1.178 247 I CA 0.258 61.312 61.300 -0.409 0.000 1.460 247 I CB -0.052 37.757 38.000 -0.319 0.000 1.137 247 I HN 0.133 nan 8.210 nan 0.000 0.443 248 V N 1.389 121.139 119.914 -0.273 0.000 2.427 248 V HA -0.243 3.895 4.120 0.030 0.000 0.248 248 V C 2.380 178.366 176.094 -0.180 0.000 1.051 248 V CA 1.829 64.044 62.300 -0.142 0.000 1.048 248 V CB -0.570 31.263 31.823 0.017 0.000 0.666 248 V HN 0.352 nan 8.190 nan 0.000 0.456 249 K N -0.258 120.042 120.400 -0.166 0.000 2.062 249 K HA -0.183 4.155 4.320 0.030 0.000 0.205 249 K C 2.227 178.741 176.600 -0.144 0.000 1.051 249 K CA 1.466 57.680 56.287 -0.122 0.000 0.941 249 K CB -0.114 32.329 32.500 -0.095 0.000 0.719 249 K HN 0.515 nan 8.250 nan 0.000 0.440 250 E N -0.035 120.030 120.200 -0.224 0.000 2.077 250 E HA -0.192 4.176 4.350 0.030 0.000 0.193 250 E C 1.418 177.960 176.600 -0.097 0.000 0.989 250 E CA 1.149 57.436 56.400 -0.189 0.000 0.800 250 E CB 0.070 29.601 29.700 -0.281 0.000 0.746 250 E HN 0.288 nan 8.360 nan 0.000 0.452 251 Y N -0.314 119.801 120.300 -0.309 0.000 2.457 251 Y HA 0.117 4.685 4.550 0.030 0.000 0.292 251 Y C 2.087 177.779 175.900 -0.347 0.000 1.125 251 Y CA 0.525 58.361 58.100 -0.441 0.000 1.254 251 Y CB -0.693 37.118 38.460 -1.082 0.000 1.012 251 Y HN 0.142 nan 8.280 nan 0.000 0.555 252 A N -0.013 122.749 122.820 -0.098 0.000 2.067 252 A HA -0.099 4.239 4.320 0.030 0.000 0.217 252 A C 1.937 179.513 177.584 -0.013 0.000 1.156 252 A CA 1.330 53.355 52.037 -0.019 0.000 0.683 252 A CB -0.284 18.715 19.000 -0.002 0.000 0.808 252 A HN 0.329 nan 8.150 nan 0.000 0.455 253 N N -0.144 118.545 118.700 -0.019 0.000 2.368 253 N HA 0.013 4.771 4.740 0.030 0.000 0.178 253 N C -0.369 175.140 175.510 -0.002 0.000 1.021 253 N CA 0.695 53.739 53.050 -0.011 0.000 0.875 253 N CB 0.011 38.488 38.487 -0.016 0.000 1.020 253 N HN 0.323 nan 8.380 nan 0.000 0.433 254 D N 0.386 120.797 120.400 0.019 0.000 2.440 254 D HA 0.133 4.791 4.640 0.030 0.000 0.239 254 D C 0.385 176.711 176.300 0.043 0.000 1.084 254 D CA -0.203 53.814 54.000 0.028 0.000 0.843 254 D CB 1.744 42.576 40.800 0.054 0.000 1.097 254 D HN -0.014 nan 8.370 nan 0.000 0.531 255 Q N 2.477 122.261 119.800 -0.027 0.000 2.212 255 Q HA -0.068 4.290 4.340 0.030 0.000 0.199 255 Q C 0.513 176.412 176.000 -0.168 0.000 0.950 255 Q CA 0.833 56.594 55.803 -0.071 0.000 0.863 255 Q CB 0.413 29.012 28.738 -0.232 0.000 0.944 255 Q HN 0.460 nan 8.270 nan 0.000 0.465 256 D N 0.365 120.671 120.400 -0.158 0.000 2.219 256 D HA -0.140 4.518 4.640 0.030 0.000 0.205 256 D C 1.592 177.911 176.300 0.032 0.000 0.970 256 D CA 0.942 54.882 54.000 -0.100 0.000 0.851 256 D CB 0.174 40.936 40.800 -0.063 0.000 0.943 256 D HN 0.092 nan 8.370 nan 0.000 0.488 257 K N 0.335 120.776 120.400 0.069 0.000 2.167 257 K HA -0.079 4.259 4.320 0.030 0.000 0.203 257 K C 1.775 178.424 176.600 0.083 0.000 1.052 257 K CA 0.356 56.716 56.287 0.123 0.000 0.956 257 K CB -0.440 32.174 32.500 0.191 0.000 0.735 257 K HN 0.010 nan 8.250 nan 0.000 0.451 258 F N 0.173 120.006 119.950 -0.195 0.000 2.113 258 F HA -0.047 4.498 4.527 0.030 0.000 0.297 258 F C 1.446 177.261 175.800 0.026 0.000 1.103 258 F CA 1.205 58.892 58.000 -0.521 0.000 1.248 258 F CB -0.511 38.209 39.000 -0.467 0.000 0.999 258 F HN -0.036 nan 8.300 nan 0.000 0.475 259 F N 1.024 120.749 119.950 -0.376 0.000 2.216 259 F HA -0.096 4.449 4.527 0.029 0.000 0.300 259 F C 2.296 178.005 175.800 -0.152 0.000 1.085 259 F CA 1.306 59.114 58.000 -0.321 0.000 1.326 259 F CB -1.097 37.825 39.000 -0.130 0.000 1.027 259 F HN -0.036 nan 8.300 nan 0.000 0.497 260 K N 0.213 120.677 120.400 0.106 0.000 2.103 260 K HA -0.095 4.243 4.320 0.030 0.000 0.204 260 K C 1.663 178.291 176.600 0.046 0.000 1.052 260 K CA 1.233 57.562 56.287 0.070 0.000 0.945 260 K CB -0.385 32.160 32.500 0.075 0.000 0.722 260 K HN 0.046 nan 8.250 nan 0.000 0.443 261 D N -0.985 119.437 120.400 0.038 0.000 2.213 261 D HA -0.062 4.596 4.640 0.030 0.000 0.205 261 D C 1.586 177.919 176.300 0.055 0.000 0.961 261 D CA 0.464 54.502 54.000 0.064 0.000 0.853 261 D CB -0.087 40.798 40.800 0.141 0.000 0.967 261 D HN 0.093 nan 8.370 nan 0.000 0.496 262 F N 2.239 122.093 119.950 -0.161 0.000 2.084 262 F HA -0.238 4.307 4.527 0.029 0.000 0.296 262 F C 2.452 178.205 175.800 -0.080 0.000 1.111 262 F CA 1.934 59.840 58.000 -0.157 0.000 1.224 262 F CB -0.231 38.544 39.000 -0.374 0.000 0.991 262 F HN -0.068 nan 8.300 nan 0.000 0.471 263 S N 0.138 115.846 115.700 0.013 0.000 2.400 263 S HA -0.248 4.240 4.470 0.030 0.000 0.232 263 S C 1.928 176.495 174.600 -0.055 0.000 1.025 263 S CA 1.431 59.615 58.200 -0.026 0.000 0.993 263 S CB -0.710 62.495 63.200 0.008 0.000 0.808 263 S HN 0.482 nan 8.310 nan 0.000 0.478 264 K N 1.564 121.938 120.400 -0.042 0.000 2.001 264 K HA 0.120 4.458 4.320 0.030 0.000 0.208 264 K C 2.672 179.239 176.600 -0.055 0.000 1.048 264 K CA 1.137 57.402 56.287 -0.037 0.000 0.932 264 K CB -0.531 31.965 32.500 -0.007 0.000 0.715 264 K HN 0.457 nan 8.250 nan 0.000 0.437 265 A N 1.032 123.810 122.820 -0.070 0.000 1.873 265 A HA -0.164 4.174 4.320 0.030 0.000 0.215 265 A C 1.992 179.522 177.584 -0.091 0.000 1.186 265 A CA 1.157 53.153 52.037 -0.068 0.000 0.616 265 A CB -0.693 18.273 19.000 -0.057 0.000 0.823 265 A HN 0.293 nan 8.150 nan 0.000 0.442 266 F N 0.748 120.405 119.950 -0.489 0.000 2.171 266 F HA -0.105 4.439 4.527 0.029 0.000 0.300 266 F C 2.223 177.895 175.800 -0.214 0.000 1.090 266 F CA 1.821 59.520 58.000 -0.501 0.000 1.293 266 F CB -0.232 38.163 39.000 -1.009 0.000 1.013 266 F HN 0.460 nan 8.300 nan 0.000 0.486 267 E N 0.214 120.355 120.200 -0.099 0.000 2.047 267 E HA -0.276 4.092 4.350 0.030 0.000 0.191 267 E C 2.371 178.889 176.600 -0.138 0.000 0.987 267 E CA 1.294 57.625 56.400 -0.115 0.000 0.799 267 E CB -0.243 29.410 29.700 -0.078 0.000 0.752 267 E HN 0.378 nan 8.360 nan 0.000 0.449 268 K N 0.653 120.990 120.400 -0.106 0.000 2.063 268 K HA -0.159 4.179 4.320 0.030 0.000 0.208 268 K C 2.356 178.892 176.600 -0.107 0.000 1.048 268 K CA 1.039 57.270 56.287 -0.092 0.000 0.928 268 K CB -0.182 32.291 32.500 -0.046 0.000 0.713 268 K HN 0.224 nan 8.250 nan 0.000 0.442 269 L N 1.106 122.284 121.223 -0.075 0.000 2.046 269 L HA -0.170 4.188 4.340 0.030 0.000 0.208 269 L C 2.042 178.849 176.870 -0.106 0.000 1.077 269 L CA 1.357 56.185 54.840 -0.021 0.000 0.747 269 L CB -0.166 41.940 42.059 0.078 0.000 0.896 269 L HN 0.318 nan 8.230 nan 0.000 0.432 270 L N -1.187 119.918 121.223 -0.197 0.000 2.478 270 L HA -0.094 4.264 4.340 0.030 0.000 0.223 270 L C 1.564 178.357 176.870 -0.129 0.000 1.140 270 L CA 0.602 55.340 54.840 -0.169 0.000 0.842 270 L CB -0.246 41.685 42.059 -0.213 0.000 0.953 270 L HN 0.294 nan 8.230 nan 0.000 0.452 271 E N -0.732 119.380 120.200 -0.145 0.000 2.498 271 E HA 0.072 4.440 4.350 0.030 0.000 0.203 271 E C -0.091 176.374 176.600 -0.225 0.000 1.013 271 E CA -0.352 55.995 56.400 -0.089 0.000 0.927 271 E CB 0.407 30.110 29.700 0.005 0.000 1.012 271 E HN 0.275 nan 8.360 nan 0.000 0.482 272 N N 1.009 119.459 118.700 -0.417 0.000 2.440 272 N HA 0.041 4.799 4.740 0.030 0.000 0.265 272 N C 0.664 175.471 175.510 -1.171 0.000 1.239 272 N CA 1.025 53.524 53.050 -0.919 0.000 0.909 272 N CB 1.023 38.869 38.487 -1.068 0.000 1.066 272 N HN 0.314 nan 8.380 nan 0.000 0.474 273 G N 2.055 110.244 108.800 -1.019 0.000 2.149 273 G HA2 -0.235 3.743 3.960 0.030 0.000 0.235 273 G HA3 -0.235 3.743 3.960 0.030 0.000 0.235 273 G C -0.133 174.618 174.900 -0.249 0.000 1.018 273 G CA -0.195 44.637 45.100 -0.447 0.000 0.728 273 G HN 0.549 nan 8.290 nan 0.000 0.508 274 I N 0.899 121.285 120.570 -0.306 0.000 2.466 274 I HA 0.390 4.578 4.170 0.030 0.000 0.289 274 I C 0.001 175.834 176.117 -0.473 0.000 1.026 274 I CA -0.755 60.301 61.300 -0.406 0.000 1.078 274 I CB 2.252 39.969 38.000 -0.472 0.000 1.249 274 I HN -0.000 nan 8.210 nan 0.000 0.429 275 T N 6.009 120.299 114.554 -0.439 0.000 2.767 275 T HA 0.493 4.861 4.350 0.030 0.000 0.284 275 T C -0.522 173.924 174.700 -0.424 0.000 0.973 275 T CA -0.200 61.721 62.100 -0.299 0.000 0.996 275 T CB 0.298 69.072 68.868 -0.157 0.000 0.927 275 T HN 0.105 nan 8.240 nan 0.000 0.456 276 F N 4.081 123.988 119.950 -0.072 0.000 2.404 276 F HA 0.415 4.960 4.527 0.029 0.000 0.354 276 F C -1.675 174.090 175.800 -0.059 0.000 1.122 276 F CA -2.330 55.624 58.000 -0.078 0.000 1.080 276 F CB 0.519 39.448 39.000 -0.118 0.000 1.131 276 F HN 0.371 nan 8.300 nan 0.000 0.471 277 P HA 0.149 nan 4.420 nan 0.000 0.273 277 P C 0.465 177.799 177.300 0.056 0.000 1.250 277 P CA -0.515 62.615 63.100 0.051 0.000 0.793 277 P CB 0.867 32.588 31.700 0.035 0.000 1.011 278 K N 0.656 121.074 120.400 0.029 0.000 2.432 278 K HA -0.087 4.251 4.320 0.030 0.000 0.196 278 K C 1.166 177.771 176.600 0.008 0.000 1.038 278 K CA 0.844 57.139 56.287 0.013 0.000 0.986 278 K CB -0.016 32.487 32.500 0.004 0.000 0.782 278 K HN 0.536 nan 8.250 nan 0.000 0.485 279 D N -0.149 120.261 120.400 0.018 0.000 2.349 279 D HA -0.031 4.627 4.640 0.030 0.000 0.215 279 D C 0.223 176.537 176.300 0.023 0.000 1.016 279 D CA -0.028 53.983 54.000 0.018 0.000 0.870 279 D CB 0.121 40.934 40.800 0.022 0.000 0.917 279 D HN 0.026 nan 8.370 nan 0.000 0.524 280 A N 2.253 125.090 122.820 0.029 0.000 2.445 280 A HA 0.396 4.734 4.320 0.030 0.000 0.242 280 A C -1.859 175.709 177.584 -0.026 0.000 1.075 280 A CA -0.920 51.136 52.037 0.031 0.000 0.777 280 A CB -0.188 18.867 19.000 0.091 0.000 1.013 280 A HN 0.185 nan 8.150 nan 0.000 0.493 281 P HA 0.128 nan 4.420 nan 0.000 0.271 281 P C 0.028 177.175 177.300 -0.255 0.000 1.218 281 P CA -0.184 62.863 63.100 -0.088 0.000 0.780 281 P CB 0.796 32.511 31.700 0.025 0.000 0.901 282 S N 2.691 118.266 115.700 -0.208 0.000 2.568 282 S HA 0.162 4.650 4.470 0.030 0.000 0.282 282 S C -1.887 172.455 174.600 -0.430 0.000 1.338 282 S CA -1.041 56.999 58.200 -0.267 0.000 1.045 282 S CB -0.648 62.456 63.200 -0.161 0.000 0.873 282 S HN 0.339 nan 8.310 nan 0.000 0.516 283 P HA 0.011 nan 4.420 nan 0.000 0.263 283 P C -0.758 176.331 177.300 -0.352 0.000 1.175 283 P CA 0.168 62.949 63.100 -0.533 0.000 0.761 283 P CB 0.013 31.481 31.700 -0.386 0.000 0.794 284 F N 2.530 122.362 119.950 -0.196 0.000 2.399 284 F HA 0.303 4.849 4.527 0.030 0.000 0.342 284 F C 1.100 176.648 175.800 -0.420 0.000 1.106 284 F CA -0.622 57.200 58.000 -0.297 0.000 1.196 284 F CB 0.233 39.022 39.000 -0.352 0.000 1.163 284 F HN 0.112 nan 8.300 nan 0.000 0.547 285 I N 4.506 124.966 120.570 -0.184 0.000 2.420 285 I HA 0.207 4.394 4.170 0.030 0.000 0.282 285 I C -0.702 175.346 176.117 -0.114 0.000 1.019 285 I CA -0.615 60.598 61.300 -0.146 0.000 1.130 285 I CB 0.615 38.568 38.000 -0.079 0.000 1.262 285 I HN 0.299 nan 8.210 nan 0.000 0.454 286 F N 5.275 125.299 119.950 0.125 0.000 2.429 286 F HA 0.271 4.816 4.527 0.030 0.000 0.348 286 F C 1.199 176.862 175.800 -0.229 0.000 1.109 286 F CA -0.397 57.525 58.000 -0.130 0.000 1.232 286 F CB 0.557 39.214 39.000 -0.572 0.000 1.157 286 F HN 0.190 nan 8.300 nan 0.000 0.564 287 K N 1.841 122.223 120.400 -0.030 0.000 2.276 287 K HA 0.214 4.552 4.320 0.030 0.000 0.283 287 K C 0.344 176.869 176.600 -0.124 0.000 1.044 287 K CA -0.281 55.987 56.287 -0.031 0.000 0.944 287 K CB 0.828 33.346 32.500 0.030 0.000 1.012 287 K HN 0.804 nan 8.250 nan 0.000 0.472 288 T N -0.807 113.772 114.554 0.042 0.000 2.726 288 T HA 0.100 4.468 4.350 0.030 0.000 0.294 288 T C 1.444 176.251 174.700 0.179 0.000 1.013 288 T CA -0.655 61.560 62.100 0.193 0.000 0.996 288 T CB 0.483 69.460 68.868 0.182 0.000 1.016 288 T HN 0.271 nan 8.240 nan 0.000 0.529 289 L N 0.307 121.661 121.223 0.218 0.000 2.201 289 L HA 0.118 4.475 4.340 0.030 0.000 0.212 289 L C 2.771 179.701 176.870 0.100 0.000 1.105 289 L CA 1.649 56.578 54.840 0.147 0.000 0.775 289 L CB -1.090 41.044 42.059 0.126 0.000 0.913 289 L HN 0.944 nan 8.230 nan 0.000 0.440 290 E N -0.443 119.816 120.200 0.098 0.000 2.152 290 E HA -0.190 4.178 4.350 0.030 0.000 0.192 290 E C 1.717 178.358 176.600 0.068 0.000 0.983 290 E CA 0.786 57.232 56.400 0.077 0.000 0.818 290 E CB 0.098 29.844 29.700 0.077 0.000 0.758 290 E HN 0.538 nan 8.360 nan 0.000 0.467 291 E N -0.101 120.142 120.200 0.072 0.000 2.418 291 E HA -0.114 4.254 4.350 0.030 0.000 0.197 291 E C 1.136 177.768 176.600 0.052 0.000 1.026 291 E CA 0.478 56.913 56.400 0.059 0.000 0.862 291 E CB 0.209 29.944 29.700 0.058 0.000 0.799 291 E HN 0.326 nan 8.360 nan 0.000 0.518 292 Q N -0.923 118.910 119.800 0.056 0.000 2.179 292 Q HA 0.174 4.532 4.340 0.030 0.000 0.213 292 Q C 0.626 176.653 176.000 0.045 0.000 0.833 292 Q CA 0.240 56.072 55.803 0.049 0.000 0.990 292 Q CB 1.475 30.243 28.738 0.050 0.000 1.132 292 Q HN 0.321 nan 8.270 nan 0.000 0.493 293 G N 0.463 109.291 108.800 0.046 0.000 2.157 293 G HA2 -0.247 3.731 3.960 0.030 0.000 0.248 293 G HA3 -0.247 3.731 3.960 0.030 0.000 0.248 293 G C -0.100 174.826 174.900 0.043 0.000 0.979 293 G CA -0.072 45.053 45.100 0.041 0.000 0.650 293 G HN 0.177 nan 8.290 nan 0.000 0.529 294 L N 0.000 121.253 121.223 0.050 0.000 2.949 294 L HA 0.000 4.358 4.340 0.030 0.000 0.249 294 L CA 0.000 54.870 54.840 0.050 0.000 0.813 294 L CB 0.000 42.092 42.059 0.055 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502