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 3nig_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RCGPGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.896 174.900 -0.007 0.000 0.946 1 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 2 P HA 0.082 nan 4.420 nan 0.000 0.243 2 P C 0.348 177.648 177.300 0.001 0.000 1.134 2 P CA -0.131 62.966 63.100 -0.004 0.000 1.109 2 P CB -0.124 31.574 31.700 -0.003 0.000 1.140 3 N N 2.848 121.549 118.700 0.002 0.000 2.262 3 N HA -0.066 4.674 4.740 0.000 0.000 0.260 3 N C 1.324 176.843 175.510 0.015 0.000 1.305 3 N CA -0.262 52.793 53.050 0.008 0.000 0.913 3 N CB -0.097 38.395 38.487 0.008 0.000 1.116 3 N HN 0.337 nan 8.380 nan 0.000 0.512 4 I N -3.798 116.784 120.570 0.020 0.000 2.614 4 I HA -0.119 4.051 4.170 0.000 0.000 0.258 4 I C 1.367 177.506 176.117 0.035 0.000 1.189 4 I CA 0.607 61.923 61.300 0.026 0.000 1.462 4 I CB -0.592 37.424 38.000 0.027 0.000 1.092 4 I HN 0.316 nan 8.210 nan 0.000 0.442 5 c N 2.170 120.794 118.600 0.040 0.000 2.442 5 c HA -0.172 4.398 4.570 0.000 0.000 0.279 5 c C 3.276 177.396 174.090 0.050 0.000 1.237 5 c CA 2.097 58.459 56.329 0.055 0.000 1.722 5 c CB -1.327 41.214 42.510 0.052 0.000 2.056 5 c HN 0.723 nan 8.230 nan 0.000 0.469 6 T N -0.155 114.416 114.554 0.028 0.000 2.777 6 T HA -0.171 4.179 4.350 0.000 0.000 0.266 6 T C 1.629 176.342 174.700 0.022 0.000 1.040 6 T CA 2.368 64.480 62.100 0.019 0.000 1.141 6 T CB -1.181 67.688 68.868 0.001 0.000 0.868 6 T HN 0.693 nan 8.240 nan 0.000 0.444 7 T N 0.243 114.809 114.554 0.020 0.000 2.833 7 T HA -0.043 4.307 4.350 0.000 0.000 0.269 7 T C 2.175 176.889 174.700 0.024 0.000 1.054 7 T CA 0.464 62.575 62.100 0.018 0.000 1.135 7 T CB -0.451 68.426 68.868 0.014 0.000 0.869 7 T HN 0.127 nan 8.240 nan 0.000 0.466 8 R N 1.720 122.239 120.500 0.032 0.000 2.159 8 R HA 0.037 4.377 4.340 0.000 0.000 0.237 8 R C 1.822 178.146 176.300 0.040 0.000 1.131 8 R CA 0.951 57.072 56.100 0.035 0.000 0.982 8 R CB -1.481 28.845 30.300 0.043 0.000 0.868 8 R HN 0.732 nan 8.270 nan 0.000 0.453 9 G N 1.647 110.476 108.800 0.048 0.000 2.363 9 G HA2 -0.241 3.719 3.960 0.000 0.000 0.286 9 G HA3 -0.241 3.719 3.960 0.000 0.000 0.286 9 G C 0.323 175.263 174.900 0.067 0.000 0.975 9 G CA 0.535 45.667 45.100 0.054 0.000 1.309 9 G HN 0.310 nan 8.290 nan 0.000 0.491 10 V N -1.391 118.584 119.914 0.102 0.000 2.953 10 V HA 0.772 4.892 4.120 0.000 0.000 0.304 10 V C 1.144 177.312 176.094 0.124 0.000 1.073 10 V CA 0.554 62.913 62.300 0.099 0.000 1.064 10 V CB 1.645 33.535 31.823 0.112 0.000 1.047 10 V HN 0.437 nan 8.190 nan 0.000 0.478 11 S N 0.948 116.683 115.700 0.058 0.000 2.502 11 S HA 0.241 4.711 4.470 0.000 0.000 0.215 11 S C 0.667 175.275 174.600 0.013 0.000 1.009 11 S CA 0.392 58.625 58.200 0.054 0.000 0.908 11 S CB -0.086 63.122 63.200 0.013 0.000 0.801 11 S HN 1.246 nan 8.310 nan 0.000 0.505 12 S N -1.110 114.493 115.700 -0.162 0.000 2.625 12 S HA 0.341 4.811 4.470 0.000 0.000 0.271 12 S C 0.522 174.454 174.600 -1.113 0.000 1.161 12 S CA -0.561 57.346 58.200 -0.489 0.000 0.820 12 S CB 0.816 63.831 63.200 -0.308 0.000 1.137 12 S HN 0.108 nan 8.310 nan 0.000 0.470 13 c N 0.509 118.174 118.600 -1.559 0.000 2.422 13 c HA -0.051 4.519 4.570 0.000 0.000 0.279 13 c C 2.624 176.303 174.090 -0.684 0.000 1.305 13 c CA 1.742 57.044 56.329 -1.711 0.000 1.757 13 c CB -1.535 40.137 42.510 -1.398 0.000 1.962 13 c HN 0.956 nan 8.230 nan 0.000 0.499 14 Q N -0.206 119.320 119.800 -0.458 0.000 2.049 14 Q HA -0.216 4.124 4.340 0.000 0.000 0.198 14 Q C 2.241 178.135 176.000 -0.177 0.000 0.971 14 Q CA 1.697 57.355 55.803 -0.242 0.000 0.833 14 Q CB -0.304 28.327 28.738 -0.178 0.000 0.896 14 Q HN 0.751 nan 8.270 nan 0.000 0.434 15 Q N -0.227 119.463 119.800 -0.184 0.000 2.170 15 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 15 Q C 2.444 178.413 176.000 -0.053 0.000 0.976 15 Q CA 1.270 57.015 55.803 -0.098 0.000 0.858 15 Q CB -0.336 28.355 28.738 -0.079 0.000 0.907 15 Q HN 0.491 nan 8.270 nan 0.000 0.433 16 c N 0.837 119.392 118.600 -0.076 0.000 2.413 16 c HA -0.144 4.426 4.570 0.000 0.000 0.277 16 c C 2.437 176.572 174.090 0.076 0.000 1.228 16 c CA 0.771 57.145 56.329 0.075 0.000 1.731 16 c CB -1.001 41.659 42.510 0.251 0.000 2.042 16 c HN 0.512 nan 8.230 nan 0.000 0.468 17 L N 1.200 122.440 121.223 0.028 0.000 2.131 17 L HA -0.086 4.254 4.340 0.000 0.000 0.210 17 L C 2.890 179.778 176.870 0.031 0.000 1.092 17 L CA 1.660 56.529 54.840 0.048 0.000 0.759 17 L CB -0.849 41.216 42.059 0.011 0.000 0.903 17 L HN 0.484 nan 8.230 nan 0.000 0.435 18 A N -0.617 122.205 122.820 0.003 0.000 2.167 18 A HA 0.016 4.336 4.320 0.000 0.000 0.214 18 A C 2.271 179.863 177.584 0.013 0.000 1.151 18 A CA 0.542 52.578 52.037 -0.001 0.000 0.735 18 A CB -0.363 18.624 19.000 -0.022 0.000 0.802 18 A HN 0.178 nan 8.150 nan 0.000 0.467 19 V N -0.852 119.080 119.914 0.031 0.000 2.244 19 V HA -0.035 4.085 4.120 0.000 0.000 0.244 19 V C 1.264 177.383 176.094 0.042 0.000 1.042 19 V CA 1.965 64.288 62.300 0.039 0.000 1.006 19 V CB -0.290 31.568 31.823 0.057 0.000 0.641 19 V HN 0.564 nan 8.190 nan 0.000 0.446 20 S N -2.512 113.223 115.700 0.058 0.000 2.552 20 S HA 0.411 4.881 4.470 0.000 0.000 0.272 20 S C -2.633 172.015 174.600 0.081 0.000 1.150 20 S CA -0.737 57.499 58.200 0.060 0.000 0.849 20 S CB 1.922 65.159 63.200 0.061 0.000 1.113 20 S HN 0.039 nan 8.310 nan 0.000 0.458 21 P HA -0.004 nan 4.420 nan 0.000 0.231 21 P C 1.097 178.484 177.300 0.146 0.000 1.158 21 P CA 0.832 63.971 63.100 0.065 0.000 0.763 21 P CB -0.170 31.553 31.700 0.038 0.000 0.805 22 M N -4.159 115.555 119.600 0.190 0.000 2.492 22 M HA 0.167 4.647 4.480 0.000 0.000 0.255 22 M C 0.285 176.773 176.300 0.314 0.000 1.139 22 M CA 0.414 55.884 55.300 0.283 0.000 1.096 22 M CB -0.513 32.177 32.600 0.150 0.000 1.360 22 M HN -0.298 nan 8.290 nan 0.000 0.480 23 c N 3.013 121.761 118.600 0.248 0.000 2.657 23 c HA 0.771 5.341 4.570 0.000 0.000 0.404 23 c C 0.955 175.238 174.090 0.323 0.000 1.291 23 c CA -0.340 56.111 56.329 0.203 0.000 2.218 23 c CB 0.409 43.017 42.510 0.162 0.000 2.687 23 c HN 0.631 nan 8.230 nan 0.000 0.634 24 A N 2.055 125.003 122.820 0.213 0.000 2.532 24 A HA 0.885 5.205 4.320 0.000 0.000 0.290 24 A C -1.500 176.245 177.584 0.269 0.000 1.143 24 A CA -0.422 51.775 52.037 0.267 0.000 0.728 24 A CB 1.334 20.341 19.000 0.012 0.000 1.317 24 A HN 0.972 nan 8.150 nan 0.000 0.414 25 W N 0.727 122.065 121.300 0.063 0.000 2.883 25 W HA 0.529 5.189 4.660 0.000 0.000 0.335 25 W C -1.633 174.896 176.519 0.017 0.000 1.083 25 W CA -0.742 56.620 57.345 0.029 0.000 1.233 25 W CB 1.770 31.248 29.460 0.029 0.000 1.412 25 W HN 0.876 nan 8.180 nan 0.000 0.490 26 c N 4.320 122.561 118.600 -0.599 0.000 2.273 26 c HA 0.443 5.013 4.570 0.000 0.000 0.328 26 c C 1.115 174.951 174.090 -0.424 0.000 1.275 26 c CA -0.071 56.033 56.329 -0.375 0.000 1.704 26 c CB 0.517 42.835 42.510 -0.321 0.000 2.326 26 c HN 0.639 nan 8.230 nan 0.000 0.517 27 S N 2.599 118.281 115.700 -0.030 0.000 2.548 27 S HA -0.001 4.469 4.470 0.000 0.000 0.215 27 S C 0.242 174.864 174.600 0.037 0.000 0.976 27 S CA -0.021 58.237 58.200 0.098 0.000 0.908 27 S CB -0.359 62.952 63.200 0.185 0.000 0.781 27 S HN 0.960 nan 8.310 nan 0.000 0.519 28 D N 2.384 122.775 120.400 -0.015 0.000 2.502 28 D HA -0.041 4.599 4.640 0.000 0.000 0.249 28 D C 1.202 177.514 176.300 0.020 0.000 1.188 28 D CA 0.262 54.264 54.000 0.003 0.000 0.890 28 D CB 0.543 41.328 40.800 -0.025 0.000 1.140 28 D HN -0.014 nan 8.370 nan 0.000 0.505 29 E N 2.844 123.084 120.200 0.065 0.000 2.171 29 E HA -0.184 4.167 4.350 0.000 0.000 0.197 29 E C 0.717 177.349 176.600 0.052 0.000 0.997 29 E CA 0.962 57.419 56.400 0.095 0.000 0.810 29 E CB -0.134 29.630 29.700 0.106 0.000 0.738 29 E HN 0.511 nan 8.360 nan 0.000 0.467 30 A N 1.258 124.092 122.820 0.023 0.000 3.282 30 A HA 0.277 4.597 4.320 0.000 0.000 0.287 30 A C -0.122 177.454 177.584 -0.012 0.000 1.366 30 A CA -0.398 51.644 52.037 0.008 0.000 1.069 30 A CB -0.343 18.661 19.000 0.006 0.000 1.109 30 A HN 0.048 nan 8.150 nan 0.000 0.638 31 L N 1.282 122.491 121.223 -0.024 0.000 2.275 31 L HA 0.567 4.907 4.340 0.000 0.000 0.288 31 L C -2.147 174.699 176.870 -0.040 0.000 1.046 31 L CA -1.616 53.194 54.840 -0.050 0.000 0.805 31 L CB 0.606 42.611 42.059 -0.091 0.000 1.193 31 L HN 0.210 nan 8.230 nan 0.000 0.426 32 P HA 0.038 nan 4.420 nan 0.000 0.273 32 P C 1.119 178.402 177.300 -0.030 0.000 1.252 32 P CA -0.276 62.806 63.100 -0.030 0.000 0.809 32 P CB 0.504 32.185 31.700 -0.032 0.000 1.017 33 L N -0.421 120.789 121.223 -0.022 0.000 1.951 33 L HA -0.154 4.186 4.340 0.000 0.000 0.222 33 L C 1.836 178.692 176.870 -0.024 0.000 1.078 33 L CA 2.193 57.022 54.840 -0.018 0.000 0.778 33 L CB -1.384 40.667 42.059 -0.014 0.000 0.893 33 L HN 0.533 nan 8.230 nan 0.000 0.436 34 G N -0.696 108.089 108.800 -0.026 0.000 4.294 34 G HA2 0.296 4.256 3.960 0.000 0.000 0.301 34 G HA3 0.296 4.256 3.960 0.000 0.000 0.301 34 G C -0.379 174.498 174.900 -0.039 0.000 1.321 34 G CA -0.201 44.883 45.100 -0.028 0.000 1.190 34 G HN 0.167 nan 8.290 nan 0.000 0.600 35 S N 1.377 117.045 115.700 -0.054 0.000 2.442 35 S HA 0.472 4.942 4.470 0.000 0.000 0.297 35 S C -2.524 172.016 174.600 -0.100 0.000 1.131 35 S CA -0.940 57.217 58.200 -0.073 0.000 1.092 35 S CB 1.934 65.085 63.200 -0.081 0.000 0.998 35 S HN 0.145 nan 8.310 nan 0.000 0.478 36 P HA 0.252 nan 4.420 nan 0.000 0.266 36 P C 0.382 177.554 177.300 -0.213 0.000 1.215 36 P CA -0.225 62.803 63.100 -0.118 0.000 0.763 36 P CB 0.470 32.126 31.700 -0.074 0.000 0.806 37 R N 1.139 121.426 120.500 -0.355 0.000 2.236 37 R HA 0.043 4.383 4.340 0.000 0.000 0.208 37 R C 0.293 176.227 176.300 -0.611 0.000 1.036 37 R CA 0.460 56.136 56.100 -0.706 0.000 1.001 37 R CB -0.017 29.481 30.300 -1.337 0.000 0.896 37 R HN 0.418 nan 8.270 nan 0.000 0.464 38 c N 1.616 120.081 118.600 -0.225 0.000 2.294 38 c HA 0.405 4.975 4.570 0.000 0.000 0.319 38 c C -0.858 173.238 174.090 0.011 0.000 1.164 38 c CA -0.594 55.763 56.329 0.047 0.000 1.497 38 c CB -0.288 42.381 42.510 0.265 0.000 2.061 38 c HN 0.312 nan 8.230 nan 0.000 0.438 39 D N 2.290 122.685 120.400 -0.008 0.000 2.768 39 D HA 0.417 5.057 4.640 0.000 0.000 0.327 39 D C -0.961 175.311 176.300 -0.046 0.000 1.302 39 D CA -0.452 53.532 54.000 -0.028 0.000 0.897 39 D CB 1.036 41.799 40.800 -0.061 0.000 1.420 39 D HN 0.481 nan 8.370 nan 0.000 0.494 40 L N 1.903 123.086 121.223 -0.067 0.000 2.456 40 L HA 0.195 4.535 4.340 0.000 0.000 0.272 40 L C 1.920 178.673 176.870 -0.194 0.000 1.189 40 L CA -0.017 54.749 54.840 -0.123 0.000 0.846 40 L CB 0.428 42.430 42.059 -0.095 0.000 1.111 40 L HN 0.531 nan 8.230 nan 0.000 0.475 41 K N 1.815 121.996 120.400 -0.365 0.000 2.286 41 K HA -0.214 4.106 4.320 0.000 0.000 0.203 41 K C 1.269 177.736 176.600 -0.222 0.000 1.045 41 K CA 1.679 57.737 56.287 -0.381 0.000 0.935 41 K CB 0.300 32.373 32.500 -0.711 0.000 0.737 41 K HN 0.637 nan 8.250 nan 0.000 0.460 42 E N 0.412 120.503 120.200 -0.181 0.000 2.051 42 E HA -0.084 4.266 4.350 0.000 0.000 0.189 42 E C 1.622 178.168 176.600 -0.090 0.000 0.979 42 E CA 1.140 57.472 56.400 -0.113 0.000 0.803 42 E CB -0.166 29.481 29.700 -0.088 0.000 0.761 42 E HN 0.308 nan 8.360 nan 0.000 0.451 43 N N 0.343 118.989 118.700 -0.089 0.000 2.364 43 N HA -0.086 4.655 4.740 0.000 0.000 0.183 43 N C 1.600 177.063 175.510 -0.079 0.000 1.022 43 N CA 0.696 53.703 53.050 -0.072 0.000 0.883 43 N CB -0.063 38.385 38.487 -0.065 0.000 0.965 43 N HN 0.166 nan 8.380 nan 0.000 0.438 44 L N -0.027 121.139 121.223 -0.096 0.000 2.068 44 L HA 0.014 4.354 4.340 0.000 0.000 0.204 44 L C 2.083 178.905 176.870 -0.080 0.000 1.076 44 L CA 0.638 55.418 54.840 -0.099 0.000 0.753 44 L CB -0.304 41.687 42.059 -0.113 0.000 0.910 44 L HN 0.107 nan 8.230 nan 0.000 0.439 45 L N -0.054 121.124 121.223 -0.074 0.000 2.093 45 L HA -0.203 4.137 4.340 0.000 0.000 0.208 45 L C 2.543 179.385 176.870 -0.047 0.000 1.085 45 L CA 1.150 55.957 54.840 -0.055 0.000 0.755 45 L CB -0.343 41.685 42.059 -0.051 0.000 0.904 45 L HN 0.246 nan 8.230 nan 0.000 0.435 46 K N 0.007 120.377 120.400 -0.050 0.000 2.442 46 K HA -0.138 4.182 4.320 0.000 0.000 0.198 46 K C -0.040 176.535 176.600 -0.041 0.000 1.042 46 K CA 1.014 57.276 56.287 -0.041 0.000 0.958 46 K CB 0.156 32.632 32.500 -0.041 0.000 0.766 46 K HN 0.244 nan 8.250 nan 0.000 0.474 47 D N 0.536 120.906 120.400 -0.049 0.000 2.643 47 D HA 0.096 4.736 4.640 0.000 0.000 0.244 47 D C -0.895 175.376 176.300 -0.048 0.000 1.257 47 D CA -0.121 53.849 54.000 -0.049 0.000 0.831 47 D CB 0.390 41.154 40.800 -0.059 0.000 1.043 47 D HN 0.093 nan 8.370 nan 0.000 0.488 48 N N -0.117 118.558 118.700 -0.041 0.000 2.754 48 N HA -0.196 4.544 4.740 0.000 0.000 0.248 48 N C -0.603 174.884 175.510 -0.037 0.000 1.093 48 N CA 0.293 53.323 53.050 -0.034 0.000 0.699 48 N CB -2.068 36.402 38.487 -0.028 0.000 1.016 48 N HN 0.387 nan 8.380 nan 0.000 0.552 49 c N 0.922 119.494 118.600 -0.046 0.000 2.373 49 c HA 0.712 5.283 4.570 0.000 0.000 0.354 49 c C 1.371 175.443 174.090 -0.030 0.000 1.249 49 c CA -0.426 55.873 56.329 -0.050 0.000 1.784 49 c CB -1.189 41.277 42.510 -0.074 0.000 2.408 49 c HN 0.575 nan 8.230 nan 0.000 0.542 50 A N 8.367 131.176 122.820 -0.018 0.000 2.598 50 A HA 0.202 4.522 4.320 0.000 0.000 0.239 50 A C -1.201 176.385 177.584 0.002 0.000 1.032 50 A CA -0.231 51.804 52.037 -0.003 0.000 0.760 50 A CB -0.155 18.849 19.000 0.007 0.000 0.946 50 A HN 0.805 nan 8.150 nan 0.000 0.512 51 P HA -0.136 nan 4.420 nan 0.000 0.218 51 P C 0.629 177.947 177.300 0.029 0.000 1.148 51 P CA 1.537 64.645 63.100 0.014 0.000 0.822 51 P CB 0.145 31.853 31.700 0.013 0.000 0.784 52 E N -1.382 118.837 120.200 0.031 0.000 2.482 52 E HA 0.023 4.373 4.350 0.000 0.000 0.196 52 E C 1.550 178.182 176.600 0.052 0.000 1.047 52 E CA 0.580 57.005 56.400 0.041 0.000 0.869 52 E CB -0.605 29.116 29.700 0.036 0.000 0.836 52 E HN 0.150 nan 8.360 nan 0.000 0.520 53 S N 0.052 115.781 115.700 0.047 0.000 2.517 53 S HA 0.166 4.636 4.470 0.000 0.000 0.214 53 S C 0.542 175.187 174.600 0.075 0.000 0.991 53 S CA -0.354 57.881 58.200 0.058 0.000 0.906 53 S CB 0.132 63.351 63.200 0.032 0.000 0.789 53 S HN 0.098 nan 8.310 nan 0.000 0.513 54 I N 3.222 123.831 120.570 0.066 0.000 2.598 54 I HA 0.026 4.196 4.170 0.000 0.000 0.284 54 I C 0.259 176.470 176.117 0.156 0.000 1.140 54 I CA 0.407 61.761 61.300 0.091 0.000 1.420 54 I CB 0.341 38.379 38.000 0.063 0.000 1.387 54 I HN 0.006 nan 8.210 nan 0.000 0.553 55 E N 7.284 127.617 120.200 0.222 0.000 2.114 55 E HA 0.304 4.654 4.350 0.000 0.000 0.266 55 E C -1.180 175.613 176.600 0.321 0.000 0.896 55 E CA -0.407 56.137 56.400 0.240 0.000 0.750 55 E CB 1.777 31.628 29.700 0.251 0.000 1.121 55 E HN 0.367 nan 8.360 nan 0.000 0.413 56 F N 4.538 124.532 119.950 0.074 0.000 3.358 56 F HA 0.290 4.817 4.527 0.000 0.000 0.396 56 F C -2.664 173.162 175.800 0.043 0.000 1.225 56 F CA -2.084 55.952 58.000 0.061 0.000 1.280 56 F CB 0.950 39.982 39.000 0.054 0.000 2.012 56 F HN 0.126 nan 8.300 nan 0.000 0.685 57 P HA 0.321 nan 4.420 nan 0.000 0.268 57 P C -1.016 175.983 177.300 -0.502 0.000 1.205 57 P CA -0.117 62.818 63.100 -0.275 0.000 0.771 57 P CB 1.360 32.973 31.700 -0.145 0.000 0.858 58 V N 2.586 122.297 119.914 -0.338 0.000 2.495 58 V HA 0.217 4.337 4.120 0.000 0.000 0.298 58 V C 0.230 176.235 176.094 -0.149 0.000 1.031 58 V CA -0.537 61.588 62.300 -0.292 0.000 0.871 58 V CB 1.851 33.546 31.823 -0.213 0.000 0.988 58 V HN 0.512 nan 8.190 nan 0.000 0.432 59 S N 4.716 120.349 115.700 -0.113 0.000 2.531 59 S HA 0.379 4.849 4.470 0.000 0.000 0.279 59 S C -0.065 174.510 174.600 -0.042 0.000 1.305 59 S CA -0.383 57.781 58.200 -0.060 0.000 1.058 59 S CB 0.176 63.359 63.200 -0.029 0.000 0.899 59 S HN 0.913 nan 8.310 nan 0.000 0.493 60 E N 0.659 120.836 120.200 -0.040 0.000 2.449 60 E HA 0.769 5.119 4.350 0.000 0.000 0.278 60 E C -1.626 174.954 176.600 -0.033 0.000 0.992 60 E CA -1.513 54.869 56.400 -0.029 0.000 0.807 60 E CB 1.743 31.422 29.700 -0.036 0.000 1.350 60 E HN 0.483 nan 8.360 nan 0.000 0.462 61 A N 1.772 124.580 122.820 -0.021 0.000 2.499 61 A HA 0.501 4.821 4.320 0.000 0.000 0.280 61 A C -0.802 176.757 177.584 -0.041 0.000 1.135 61 A CA -0.886 51.127 52.037 -0.041 0.000 0.744 61 A CB 0.600 19.610 19.000 0.015 0.000 1.213 61 A HN 0.620 nan 8.150 nan 0.000 0.434 62 R N 1.217 121.677 120.500 -0.067 0.000 2.514 62 R HA 0.722 5.062 4.340 0.000 0.000 0.301 62 R C -0.325 175.931 176.300 -0.074 0.000 0.962 62 R CA -0.631 55.436 56.100 -0.055 0.000 0.882 62 R CB 1.586 31.858 30.300 -0.046 0.000 1.143 62 R HN 0.710 nan 8.270 nan 0.000 0.452 63 V N 2.826 122.708 119.914 -0.054 0.000 2.555 63 V HA 0.170 4.290 4.120 0.000 0.000 0.286 63 V C 0.722 176.782 176.094 -0.057 0.000 1.044 63 V CA -0.273 61.991 62.300 -0.059 0.000 1.026 63 V CB 0.648 32.452 31.823 -0.031 0.000 0.981 63 V HN 0.918 nan 8.190 nan 0.000 0.480 64 L N 2.593 123.774 121.223 -0.070 0.000 2.253 64 L HA 0.415 4.755 4.340 0.000 0.000 0.205 64 L C 1.026 177.870 176.870 -0.044 0.000 1.078 64 L CA 0.621 55.426 54.840 -0.060 0.000 0.805 64 L CB 0.012 42.026 42.059 -0.075 0.000 0.963 64 L HN 0.744 nan 8.230 nan 0.000 0.459 65 E N -0.202 119.972 120.200 -0.044 0.000 2.234 65 E HA 0.224 4.574 4.350 0.000 0.000 0.266 65 E C -0.974 175.614 176.600 -0.019 0.000 0.877 65 E CA -0.233 56.150 56.400 -0.029 0.000 0.758 65 E CB 2.266 31.948 29.700 -0.029 0.000 1.170 65 E HN -0.129 nan 8.360 nan 0.000 0.415 66 D N 1.938 122.333 120.400 -0.009 0.000 2.712 66 D HA 0.082 4.722 4.640 0.000 0.000 0.300 66 D C -0.596 175.708 176.300 0.007 0.000 1.521 66 D CA -0.290 53.710 54.000 0.000 0.000 0.790 66 D CB 0.448 41.248 40.800 -0.000 0.000 1.155 66 D HN 0.285 nan 8.370 nan 0.000 0.456 67 R N 1.254 121.758 120.500 0.008 0.000 2.478 67 R HA 0.001 4.341 4.340 0.000 0.000 0.281 67 R C -2.199 174.112 176.300 0.018 0.000 0.939 67 R CA -0.283 55.825 56.100 0.013 0.000 1.120 67 R CB -0.197 30.113 30.300 0.016 0.000 0.885 67 R HN 0.099 nan 8.270 nan 0.000 0.415 68 P HA 0.019 nan 4.420 nan 0.000 0.272 68 P C -0.270 177.047 177.300 0.027 0.000 1.223 68 P CA -0.279 62.834 63.100 0.022 0.000 0.784 68 P CB 0.504 32.215 31.700 0.019 0.000 0.923 69 L N 1.311 122.552 121.223 0.030 0.000 2.513 69 L HA 0.025 4.365 4.340 0.000 0.000 0.272 69 L C 0.887 177.777 176.870 0.033 0.000 1.187 69 L CA 0.256 55.117 54.840 0.035 0.000 0.895 69 L CB -0.310 41.771 42.059 0.036 0.000 1.147 69 L HN 0.407 nan 8.230 nan 0.000 0.483 70 S N 1.807 117.529 115.700 0.037 0.000 2.573 70 S HA -0.014 4.456 4.470 0.000 0.000 0.277 70 S C 0.728 175.350 174.600 0.036 0.000 1.346 70 S CA -0.662 57.561 58.200 0.039 0.000 1.034 70 S CB 0.771 64.001 63.200 0.049 0.000 0.879 70 S HN 0.582 nan 8.310 nan 0.000 0.528 71 D N 0.765 121.185 120.400 0.035 0.000 2.271 71 D HA 0.086 4.726 4.640 0.000 0.000 0.206 71 D C 0.127 176.451 176.300 0.040 0.000 0.967 71 D CA 0.960 54.979 54.000 0.033 0.000 0.867 71 D CB 0.324 41.140 40.800 0.027 0.000 0.960 71 D HN 0.226 nan 8.370 nan 0.000 0.509 72 K N -0.490 119.939 120.400 0.049 0.000 2.502 72 K HA 0.451 4.771 4.320 0.000 0.000 0.257 72 K C 0.499 177.151 176.600 0.087 0.000 0.938 72 K CA -0.671 55.653 56.287 0.062 0.000 0.819 72 K CB 2.190 34.719 32.500 0.047 0.000 1.333 72 K HN -0.080 nan 8.250 nan 0.000 0.434 73 G N 0.119 108.996 108.800 0.128 0.000 3.088 73 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 73 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 73 G C 0.510 175.464 174.900 0.090 0.000 1.159 73 G CA 0.135 45.358 45.100 0.205 0.000 0.760 73 G HN 0.438 nan 8.290 nan 0.000 0.550 74 S N -0.163 115.569 115.700 0.054 0.000 2.585 74 S HA 0.563 5.033 4.470 0.000 0.000 0.273 74 S C 0.841 175.449 174.600 0.014 0.000 1.339 74 S CA 0.942 59.151 58.200 0.015 0.000 1.028 74 S CB 0.506 63.716 63.200 0.017 0.000 0.906 74 S HN 1.654 nan 8.310 nan 0.000 0.528 75 G N 2.754 111.554 108.800 -0.001 0.000 2.548 75 G HA2 -0.158 3.802 3.960 0.000 0.000 0.208 75 G HA3 -0.158 3.802 3.960 0.000 0.000 0.208 75 G C -0.669 174.232 174.900 0.002 0.000 1.308 75 G CA -0.153 44.949 45.100 0.003 0.000 0.924 75 G HN 0.988 nan 8.290 nan 0.000 0.540 76 D N 0.956 121.361 120.400 0.008 0.000 2.433 76 D HA 0.369 5.009 4.640 0.000 0.000 0.274 76 D C 0.985 177.294 176.300 0.015 0.000 1.344 76 D CA 1.062 55.068 54.000 0.009 0.000 0.989 76 D CB -0.417 40.391 40.800 0.013 0.000 1.116 76 D HN 1.143 nan 8.370 nan 0.000 0.533 77 S N 2.165 117.868 115.700 0.006 0.000 2.448 77 S HA 0.639 5.109 4.470 0.000 0.000 0.320 77 S C -0.400 174.212 174.600 0.019 0.000 1.071 77 S CA -0.848 57.358 58.200 0.011 0.000 1.113 77 S CB 1.279 64.459 63.200 -0.034 0.000 0.972 77 S HN 0.168 nan 8.310 nan 0.000 0.465 78 S N 2.606 118.328 115.700 0.036 0.000 2.619 78 S HA 0.383 4.853 4.470 0.000 0.000 0.280 78 S C -0.468 174.160 174.600 0.047 0.000 1.150 78 S CA -0.735 57.497 58.200 0.054 0.000 0.978 78 S CB 1.717 64.971 63.200 0.091 0.000 1.041 78 S HN 0.807 nan 8.310 nan 0.000 0.485 79 Q N 1.789 121.616 119.800 0.044 0.000 2.263 79 Q HA 0.272 4.612 4.340 0.000 0.000 0.337 79 Q C -0.649 175.382 176.000 0.052 0.000 0.906 79 Q CA -0.165 55.663 55.803 0.043 0.000 1.124 79 Q CB 0.802 29.559 28.738 0.031 0.000 1.255 79 Q HN 0.428 nan 8.270 nan 0.000 0.435 80 V N 1.238 121.196 119.914 0.074 0.000 2.572 80 V HA 0.132 4.252 4.120 0.000 0.000 0.291 80 V C 0.433 176.570 176.094 0.072 0.000 1.039 80 V CA 0.495 62.849 62.300 0.091 0.000 1.055 80 V CB 1.377 33.299 31.823 0.164 0.000 0.969 80 V HN 0.251 nan 8.190 nan 0.000 0.482 81 T N 5.397 119.984 114.554 0.056 0.000 2.809 81 T HA 0.392 4.742 4.350 0.000 0.000 0.284 81 T C 0.337 175.067 174.700 0.051 0.000 0.992 81 T CA -0.426 61.704 62.100 0.051 0.000 0.957 81 T CB 1.602 70.496 68.868 0.043 0.000 0.942 81 T HN 0.757 nan 8.240 nan 0.000 0.439 82 Q N 1.249 121.090 119.800 0.069 0.000 2.185 82 Q HA 0.331 4.671 4.340 0.000 0.000 0.234 82 Q C -0.255 175.827 176.000 0.137 0.000 0.819 82 Q CA 0.014 55.881 55.803 0.107 0.000 0.961 82 Q CB 1.360 30.174 28.738 0.127 0.000 1.140 82 Q HN 0.389 nan 8.270 nan 0.000 0.492 83 V N 0.182 120.155 119.914 0.099 0.000 2.760 83 V HA 0.594 4.714 4.120 0.000 0.000 0.309 83 V C -0.898 175.230 176.094 0.057 0.000 1.077 83 V CA -0.706 61.639 62.300 0.074 0.000 0.910 83 V CB 2.053 33.912 31.823 0.061 0.000 1.008 83 V HN -0.015 nan 8.190 nan 0.000 0.424 84 S N 5.060 120.794 115.700 0.058 0.000 2.543 84 S HA 0.707 5.177 4.470 0.000 0.000 0.271 84 S C -2.984 171.652 174.600 0.059 0.000 1.148 84 S CA -0.992 57.236 58.200 0.048 0.000 0.914 84 S CB 2.665 65.890 63.200 0.042 0.000 1.096 84 S HN 0.542 nan 8.310 nan 0.000 0.471 85 P HA 0.230 nan 4.420 nan 0.000 0.275 85 P C -0.532 176.773 177.300 0.010 0.000 1.270 85 P CA -0.030 63.082 63.100 0.020 0.000 0.791 85 P CB 0.382 32.084 31.700 0.004 0.000 1.089 86 Q N -0.567 119.227 119.800 -0.010 0.000 2.149 86 Q HA 0.264 4.604 4.340 0.000 0.000 0.221 86 Q C 0.069 176.038 176.000 -0.052 0.000 0.807 86 Q CA 0.084 55.876 55.803 -0.018 0.000 1.000 86 Q CB 1.235 29.973 28.738 -0.000 0.000 1.157 86 Q HN 0.474 nan 8.270 nan 0.000 0.487 87 R N 0.788 121.243 120.500 -0.074 0.000 2.633 87 R HA 0.530 4.870 4.340 0.000 0.000 0.256 87 R C -1.714 174.501 176.300 -0.141 0.000 1.131 87 R CA -0.338 55.690 56.100 -0.119 0.000 0.994 87 R CB 1.161 31.402 30.300 -0.098 0.000 1.261 87 R HN 0.310 nan 8.270 nan 0.000 0.446 88 I N 0.195 120.636 120.570 -0.214 0.000 2.969 88 I HA 0.857 5.027 4.170 0.000 0.000 0.307 88 I C -1.273 174.684 176.117 -0.268 0.000 1.149 88 I CA -1.119 60.043 61.300 -0.229 0.000 1.008 88 I CB 2.608 40.440 38.000 -0.279 0.000 1.232 88 I HN 0.651 nan 8.210 nan 0.000 0.435 89 A N 4.682 127.372 122.820 -0.217 0.000 2.287 89 A HA 0.759 5.079 4.320 0.000 0.000 0.317 89 A C -1.191 176.268 177.584 -0.209 0.000 1.220 89 A CA -0.450 51.462 52.037 -0.208 0.000 0.835 89 A CB 1.056 19.967 19.000 -0.147 0.000 1.180 89 A HN 0.655 nan 8.150 nan 0.000 0.500 90 L N 2.532 123.609 121.223 -0.243 0.000 2.296 90 L HA 0.604 4.944 4.340 0.000 0.000 0.286 90 L C 0.247 177.002 176.870 -0.192 0.000 1.023 90 L CA -0.181 54.536 54.840 -0.205 0.000 0.812 90 L CB 1.341 43.264 42.059 -0.226 0.000 1.223 90 L HN 0.769 nan 8.230 nan 0.000 0.421 91 R N 5.522 125.940 120.500 -0.137 0.000 2.437 91 R HA 0.745 5.085 4.340 0.000 0.000 0.310 91 R C -1.923 174.325 176.300 -0.086 0.000 0.955 91 R CA -0.564 55.457 56.100 -0.132 0.000 0.851 91 R CB 0.915 31.156 30.300 -0.099 0.000 1.161 91 R HN 0.697 nan 8.270 nan 0.000 0.446 92 L N 5.280 126.461 121.223 -0.071 0.000 2.408 92 L HA 0.574 4.914 4.340 0.000 0.000 0.268 92 L C -0.144 176.781 176.870 0.092 0.000 0.986 92 L CA -1.127 53.731 54.840 0.030 0.000 0.820 92 L CB 2.173 44.295 42.059 0.106 0.000 1.303 92 L HN 0.719 nan 8.230 nan 0.000 0.411 93 R N 1.669 122.199 120.500 0.050 0.000 2.596 93 R HA 0.629 4.969 4.340 0.000 0.000 0.267 93 R C -2.699 173.639 176.300 0.062 0.000 1.026 93 R CA -2.017 54.111 56.100 0.046 0.000 1.087 93 R CB 0.077 30.366 30.300 -0.018 0.000 1.132 93 R HN 0.161 nan 8.270 nan 0.000 0.531 94 P HA -0.136 nan 4.420 nan 0.000 0.261 94 P C -0.767 176.545 177.300 0.021 0.000 1.165 94 P CA 0.937 64.049 63.100 0.019 0.000 0.759 94 P CB 0.150 31.849 31.700 -0.000 0.000 0.772 95 D N -0.586 119.823 120.400 0.016 0.000 2.983 95 D HA -0.187 4.453 4.640 0.000 0.000 0.225 95 D C 0.195 176.511 176.300 0.028 0.000 1.174 95 D CA 1.344 55.353 54.000 0.015 0.000 0.831 95 D CB -0.720 40.085 40.800 0.008 0.000 1.104 95 D HN 0.423 nan 8.370 nan 0.000 0.421 96 D N -0.587 119.839 120.400 0.043 0.000 2.487 96 D HA 0.641 5.281 4.640 0.000 0.000 0.262 96 D C -0.090 176.239 176.300 0.048 0.000 1.130 96 D CA -0.132 53.892 54.000 0.039 0.000 1.038 96 D CB 1.382 42.200 40.800 0.031 0.000 1.142 96 D HN 0.074 nan 8.370 nan 0.000 0.575 97 S N -0.241 115.482 115.700 0.039 0.000 2.550 97 S HA 0.696 5.166 4.470 0.000 0.000 0.270 97 S C -1.084 173.540 174.600 0.040 0.000 1.145 97 S CA -0.970 57.255 58.200 0.043 0.000 0.852 97 S CB 2.528 65.742 63.200 0.023 0.000 1.119 97 S HN 0.339 nan 8.310 nan 0.000 0.465 98 K N 1.290 121.727 120.400 0.061 0.000 2.477 98 K HA 0.525 4.845 4.320 0.000 0.000 0.255 98 K C -1.284 175.375 176.600 0.099 0.000 0.952 98 K CA -0.557 55.773 56.287 0.071 0.000 0.826 98 K CB 1.527 34.075 32.500 0.079 0.000 1.331 98 K HN 0.895 nan 8.250 nan 0.000 0.437 99 N N 2.522 121.263 118.700 0.068 0.000 2.430 99 N HA 0.593 5.333 4.740 0.000 0.000 0.298 99 N C -0.778 174.803 175.510 0.120 0.000 1.130 99 N CA -0.430 52.614 53.050 -0.011 0.000 0.894 99 N CB 1.446 39.891 38.487 -0.070 0.000 1.209 99 N HN 0.448 nan 8.380 nan 0.000 0.503 100 F N -2.036 117.897 119.950 -0.028 0.000 2.754 100 F HA 0.725 5.252 4.527 0.000 0.000 0.320 100 F C -0.743 175.055 175.800 -0.003 0.000 1.156 100 F CA -1.142 56.847 58.000 -0.017 0.000 0.950 100 F CB 1.484 40.471 39.000 -0.022 0.000 1.388 100 F HN 0.503 nan 8.300 nan 0.000 0.485 101 S N 0.362 116.198 115.700 0.228 0.000 2.599 101 S HA 0.839 5.309 4.470 0.000 0.000 0.287 101 S C -1.944 172.777 174.600 0.201 0.000 1.105 101 S CA -0.482 57.786 58.200 0.113 0.000 0.899 101 S CB 1.700 64.944 63.200 0.074 0.000 1.100 101 S HN 0.833 nan 8.310 nan 0.000 0.482 102 I N 2.239 122.913 120.570 0.175 0.000 2.656 102 I HA 0.496 4.666 4.170 0.000 0.000 0.292 102 I C -1.376 174.847 176.117 0.177 0.000 1.144 102 I CA -0.137 61.279 61.300 0.193 0.000 1.038 102 I CB 2.142 40.279 38.000 0.228 0.000 1.244 102 I HN 0.748 nan 8.210 nan 0.000 0.420 103 Q N 5.329 125.205 119.800 0.127 0.000 2.340 103 Q HA 0.773 5.114 4.340 0.000 0.000 0.268 103 Q C -1.617 174.439 176.000 0.093 0.000 1.031 103 Q CA -0.922 54.938 55.803 0.095 0.000 0.804 103 Q CB 2.924 31.695 28.738 0.055 0.000 1.286 103 Q HN 0.477 nan 8.270 nan 0.000 0.448 104 V N 2.407 122.376 119.914 0.091 0.000 2.588 104 V HA 0.528 4.648 4.120 0.000 0.000 0.304 104 V C -0.652 175.491 176.094 0.080 0.000 1.042 104 V CA -0.794 61.547 62.300 0.068 0.000 0.877 104 V CB 1.978 33.803 31.823 0.004 0.000 0.996 104 V HN 0.654 nan 8.190 nan 0.000 0.425 105 R N 2.866 123.441 120.500 0.125 0.000 2.562 105 R HA 0.577 4.917 4.340 0.000 0.000 0.298 105 R C -0.665 175.737 176.300 0.170 0.000 0.961 105 R CA -0.766 55.399 56.100 0.109 0.000 0.881 105 R CB 1.628 31.968 30.300 0.067 0.000 1.159 105 R HN 0.660 nan 8.270 nan 0.000 0.450 106 Q N 3.448 123.315 119.800 0.113 0.000 2.566 106 Q HA 0.210 4.550 4.340 0.000 0.000 0.221 106 Q C -1.059 174.929 176.000 -0.019 0.000 1.195 106 Q CA -0.277 55.559 55.803 0.055 0.000 0.967 106 Q CB 0.894 29.664 28.738 0.053 0.000 1.337 106 Q HN 0.452 nan 8.270 nan 0.000 0.553 107 V N 2.932 122.801 119.914 -0.076 0.000 2.740 107 V HA 0.020 4.140 4.120 0.000 0.000 0.303 107 V C 0.694 176.800 176.094 0.019 0.000 1.054 107 V CA -0.187 62.096 62.300 -0.028 0.000 1.106 107 V CB 0.995 32.793 31.823 -0.042 0.000 0.957 107 V HN 0.684 nan 8.190 nan 0.000 0.486 108 E N 2.630 122.859 120.200 0.047 0.000 2.383 108 E HA 0.107 4.457 4.350 0.000 0.000 0.264 108 E C 0.306 176.968 176.600 0.104 0.000 1.050 108 E CA 0.013 56.454 56.400 0.069 0.000 0.896 108 E CB 0.300 30.031 29.700 0.053 0.000 0.982 108 E HN 0.777 nan 8.360 nan 0.000 0.424 109 D N 2.101 122.573 120.400 0.120 0.000 2.746 109 D HA -0.260 4.380 4.640 0.000 0.000 0.241 109 D C -1.725 174.669 176.300 0.157 0.000 1.140 109 D CA 0.666 54.733 54.000 0.113 0.000 0.707 109 D CB -1.204 39.638 40.800 0.071 0.000 1.034 109 D HN 0.342 nan 8.370 nan 0.000 0.423 110 Y N 0.112 120.435 120.300 0.038 0.000 2.335 110 Y HA 0.540 5.090 4.550 0.000 0.000 0.323 110 Y C -1.899 174.013 175.900 0.020 0.000 1.224 110 Y CA -1.972 56.137 58.100 0.015 0.000 1.241 110 Y CB 0.991 39.444 38.460 -0.012 0.000 1.235 110 Y HN -0.007 nan 8.280 nan 0.000 0.492 111 P HA 0.147 nan 4.420 nan 0.000 0.269 111 P C -1.469 175.729 177.300 -0.170 0.000 1.215 111 P CA 0.109 63.028 63.100 -0.302 0.000 0.780 111 P CB 0.679 32.151 31.700 -0.379 0.000 0.898 112 V N 2.453 122.317 119.914 -0.083 0.000 2.623 112 V HA 0.288 4.408 4.120 0.000 0.000 0.304 112 V C -0.664 175.454 176.094 0.040 0.000 1.054 112 V CA -0.585 61.698 62.300 -0.028 0.000 0.882 112 V CB 2.079 33.802 31.823 -0.167 0.000 1.002 112 V HN 0.408 nan 8.190 nan 0.000 0.424 113 D N 4.567 125.075 120.400 0.179 0.000 2.193 113 D HA 0.619 5.259 4.640 0.000 0.000 0.244 113 D C -0.492 176.023 176.300 0.357 0.000 1.064 113 D CA 0.005 54.184 54.000 0.299 0.000 0.845 113 D CB 2.327 43.482 40.800 0.592 0.000 1.148 113 D HN 0.381 nan 8.370 nan 0.000 0.464 114 I N 2.662 123.382 120.570 0.250 0.000 2.439 114 I HA 0.155 4.325 4.170 0.000 0.000 0.283 114 I C -1.076 175.221 176.117 0.300 0.000 1.023 114 I CA -1.009 60.458 61.300 0.279 0.000 1.100 114 I CB 1.347 39.434 38.000 0.145 0.000 1.238 114 I HN 0.222 nan 8.210 nan 0.000 0.445 115 Y N 7.133 127.566 120.300 0.222 0.000 2.353 115 Y HA 0.319 4.869 4.550 0.000 0.000 0.340 115 Y C -0.966 175.109 175.900 0.293 0.000 0.972 115 Y CA -0.671 57.525 58.100 0.159 0.000 1.157 115 Y CB 0.807 39.215 38.460 -0.087 0.000 1.157 115 Y HN 0.442 nan 8.280 nan 0.000 0.495 116 Y N 7.509 127.705 120.300 -0.175 0.000 2.383 116 Y HA 0.446 4.996 4.550 0.000 0.000 0.344 116 Y C -1.370 174.286 175.900 -0.407 0.000 0.986 116 Y CA -0.654 57.409 58.100 -0.062 0.000 1.175 116 Y CB 0.639 39.273 38.460 0.290 0.000 1.152 116 Y HN 0.633 nan 8.280 nan 0.000 0.511 117 L N 8.462 129.523 121.223 -0.269 0.000 2.316 117 L HA 0.518 4.858 4.340 0.000 0.000 0.280 117 L C -1.232 175.570 176.870 -0.113 0.000 1.006 117 L CA -0.594 54.183 54.840 -0.106 0.000 0.836 117 L CB 1.066 43.291 42.059 0.276 0.000 1.221 117 L HN 0.788 nan 8.230 nan 0.000 0.418 118 M N 3.913 123.389 119.600 -0.208 0.000 2.311 118 M HA 0.368 4.848 4.480 0.000 0.000 0.325 118 M C -0.887 175.064 176.300 -0.583 0.000 1.061 118 M CA -0.661 54.482 55.300 -0.261 0.000 0.957 118 M CB 1.347 33.924 32.600 -0.038 0.000 1.646 118 M HN 0.637 nan 8.290 nan 0.000 0.434 119 D N 4.767 124.628 120.400 -0.899 0.000 2.401 119 D HA 0.106 4.746 4.640 0.000 0.000 0.254 119 D C -0.403 175.575 176.300 -0.536 0.000 1.192 119 D CA 0.410 53.638 54.000 -1.288 0.000 0.885 119 D CB 0.608 40.961 40.800 -0.745 0.000 1.147 119 D HN 0.727 nan 8.370 nan 0.000 0.478 120 L N 3.341 124.315 121.223 -0.415 0.000 3.141 120 L HA 0.092 4.432 4.340 0.000 0.000 0.267 120 L C 0.890 177.704 176.870 -0.093 0.000 1.281 120 L CA -0.406 54.370 54.840 -0.107 0.000 1.037 120 L CB 0.050 42.193 42.059 0.140 0.000 1.407 120 L HN 0.306 nan 8.230 nan 0.000 0.566 121 S N -1.883 113.734 115.700 -0.139 0.000 2.617 121 S HA -0.017 4.454 4.470 0.000 0.000 0.259 121 S C 1.005 175.634 174.600 0.048 0.000 1.301 121 S CA -0.184 58.001 58.200 -0.025 0.000 0.984 121 S CB 0.608 63.801 63.200 -0.012 0.000 0.954 121 S HN 0.258 nan 8.310 nan 0.000 0.572 122 Y N 1.474 121.776 120.300 0.003 0.000 2.274 122 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 122 Y C 2.708 178.617 175.900 0.014 0.000 1.145 122 Y CA 1.903 60.015 58.100 0.020 0.000 1.203 122 Y CB -0.600 37.880 38.460 0.034 0.000 0.984 122 Y HN 0.814 nan 8.280 nan 0.000 0.533 123 S N -1.243 114.494 115.700 0.061 0.000 2.603 123 S HA -0.057 4.413 4.470 0.000 0.000 0.229 123 S C 1.303 175.873 174.600 -0.050 0.000 0.972 123 S CA 0.546 58.749 58.200 0.005 0.000 0.935 123 S CB -0.302 62.926 63.200 0.047 0.000 0.769 123 S HN 0.321 nan 8.310 nan 0.000 0.536 124 M N 0.811 120.367 119.600 -0.074 0.000 2.475 124 M HA 0.334 4.814 4.480 0.000 0.000 0.261 124 M C 1.562 177.823 176.300 -0.065 0.000 1.177 124 M CA 0.119 55.385 55.300 -0.057 0.000 0.979 124 M CB -0.408 32.153 32.600 -0.065 0.000 1.482 124 M HN 0.393 nan 8.290 nan 0.000 0.484 125 K N 1.747 122.055 120.400 -0.153 0.000 2.026 125 K HA -0.182 4.138 4.320 0.000 0.000 0.208 125 K C 1.473 178.049 176.600 -0.041 0.000 1.048 125 K CA 2.015 58.208 56.287 -0.157 0.000 0.929 125 K CB 0.151 32.433 32.500 -0.363 0.000 0.713 125 K HN 0.378 nan 8.250 nan 0.000 0.439 126 D N 0.150 120.527 120.400 -0.037 0.000 2.178 126 D HA -0.174 4.466 4.640 0.000 0.000 0.202 126 D C 0.946 177.316 176.300 0.117 0.000 0.974 126 D CA 1.229 55.255 54.000 0.044 0.000 0.841 126 D CB -0.450 40.355 40.800 0.010 0.000 0.953 126 D HN 0.282 nan 8.370 nan 0.000 0.478 127 D N 0.970 121.414 120.400 0.073 0.000 2.144 127 D HA -0.074 4.566 4.640 0.000 0.000 0.199 127 D C 2.229 178.592 176.300 0.106 0.000 0.984 127 D CA 0.393 54.448 54.000 0.092 0.000 0.834 127 D CB -0.250 40.597 40.800 0.078 0.000 0.955 127 D HN 0.167 nan 8.370 nan 0.000 0.465 128 L N 0.028 121.310 121.223 0.099 0.000 2.083 128 L HA -0.149 4.191 4.340 0.000 0.000 0.209 128 L C 2.175 179.097 176.870 0.086 0.000 1.083 128 L CA 1.076 55.963 54.840 0.078 0.000 0.752 128 L CB -0.164 41.936 42.059 0.069 0.000 0.899 128 L HN 0.411 nan 8.230 nan 0.000 0.433 129 W N 0.207 121.483 121.300 -0.041 0.000 2.388 129 W HA -0.184 4.476 4.660 0.000 0.000 0.294 129 W C 2.352 178.852 176.519 -0.031 0.000 1.212 129 W CA 1.564 58.884 57.345 -0.042 0.000 1.271 129 W CB -0.027 29.410 29.460 -0.039 0.000 1.126 129 W HN 0.150 nan 8.180 nan 0.000 0.535 130 S N 1.344 117.075 115.700 0.051 0.000 2.402 130 S HA -0.178 4.292 4.470 0.000 0.000 0.229 130 S C 1.616 176.149 174.600 -0.112 0.000 1.021 130 S CA 1.455 59.635 58.200 -0.035 0.000 0.974 130 S CB -0.548 62.689 63.200 0.061 0.000 0.800 130 S HN 0.512 nan 8.310 nan 0.000 0.484 131 I N 0.767 121.282 120.570 -0.091 0.000 3.810 131 I HA 0.138 4.308 4.170 0.000 0.000 0.322 131 I C 1.751 177.780 176.117 -0.147 0.000 1.288 131 I CA -0.160 61.081 61.300 -0.098 0.000 1.143 131 I CB -0.492 37.464 38.000 -0.073 0.000 1.012 131 I HN 0.180 nan 8.210 nan 0.000 0.423 132 Q N 1.963 121.617 119.800 -0.244 0.000 2.436 132 Q HA -0.099 4.241 4.340 0.000 0.000 0.209 132 Q C 0.602 176.485 176.000 -0.195 0.000 0.965 132 Q CA 1.183 56.827 55.803 -0.264 0.000 0.910 132 Q CB -0.492 28.014 28.738 -0.386 0.000 0.980 132 Q HN 0.719 nan 8.270 nan 0.000 0.491 133 N N 0.070 118.668 118.700 -0.171 0.000 2.177 133 N HA -0.005 4.735 4.740 0.000 0.000 0.218 133 N C 1.171 176.617 175.510 -0.106 0.000 1.182 133 N CA -0.200 52.775 53.050 -0.126 0.000 0.882 133 N CB 0.119 38.525 38.487 -0.136 0.000 1.052 133 N HN 0.127 nan 8.380 nan 0.000 0.519 134 L N 1.318 122.482 121.223 -0.099 0.000 2.042 134 L HA 0.075 4.415 4.340 0.000 0.000 0.210 134 L C 2.037 178.741 176.870 -0.277 0.000 1.076 134 L CA 2.081 56.828 54.840 -0.155 0.000 0.749 134 L CB -1.027 40.937 42.059 -0.158 0.000 0.893 134 L HN 0.265 nan 8.230 nan 0.000 0.432 135 G N -1.616 107.004 108.800 -0.301 0.000 2.446 135 G HA2 -0.339 3.621 3.960 0.000 0.000 0.217 135 G HA3 -0.339 3.621 3.960 0.000 0.000 0.217 135 G C 1.477 176.236 174.900 -0.236 0.000 1.168 135 G CA 1.561 46.395 45.100 -0.443 0.000 0.771 135 G HN 0.535 nan 8.290 nan 0.000 0.551 136 T N -0.650 113.822 114.554 -0.137 0.000 2.857 136 T HA 0.056 4.406 4.350 0.000 0.000 0.266 136 T C 2.194 176.831 174.700 -0.104 0.000 1.048 136 T CA 1.367 63.405 62.100 -0.104 0.000 1.139 136 T CB -0.154 68.669 68.868 -0.075 0.000 0.874 136 T HN 0.323 nan 8.240 nan 0.000 0.455 137 K N 0.488 120.822 120.400 -0.109 0.000 2.148 137 K HA 0.130 4.450 4.320 0.000 0.000 0.204 137 K C 2.097 178.639 176.600 -0.096 0.000 1.050 137 K CA 0.794 57.028 56.287 -0.089 0.000 0.942 137 K CB -0.316 32.136 32.500 -0.079 0.000 0.724 137 K HN 0.155 nan 8.250 nan 0.000 0.446 138 L N 0.893 122.033 121.223 -0.139 0.000 2.072 138 L HA -0.039 4.301 4.340 0.000 0.000 0.205 138 L C 2.137 178.931 176.870 -0.125 0.000 1.079 138 L CA 1.564 56.319 54.840 -0.141 0.000 0.752 138 L CB -0.659 41.269 42.059 -0.220 0.000 0.906 138 L HN 0.108 nan 8.230 nan 0.000 0.436 139 A N -1.582 121.159 122.820 -0.132 0.000 1.902 139 A HA -0.209 4.111 4.320 0.000 0.000 0.217 139 A C 2.265 179.804 177.584 -0.075 0.000 1.181 139 A CA 2.299 54.274 52.037 -0.103 0.000 0.623 139 A CB -1.195 17.747 19.000 -0.096 0.000 0.818 139 A HN 0.482 nan 8.150 nan 0.000 0.443 140 T N 0.031 114.545 114.554 -0.067 0.000 2.652 140 T HA -0.163 4.187 4.350 0.000 0.000 0.267 140 T C 2.109 176.785 174.700 -0.040 0.000 1.039 140 T CA 1.677 63.748 62.100 -0.048 0.000 1.153 140 T CB -0.251 68.591 68.868 -0.043 0.000 0.863 140 T HN 0.479 nan 8.240 nan 0.000 0.428 141 Q N 0.138 119.912 119.800 -0.043 0.000 2.119 141 Q HA 0.129 4.469 4.340 0.000 0.000 0.201 141 Q C 2.241 178.222 176.000 -0.032 0.000 0.972 141 Q CA 0.881 56.667 55.803 -0.029 0.000 0.847 141 Q CB -0.320 28.405 28.738 -0.023 0.000 0.903 141 Q HN 0.433 nan 8.270 nan 0.000 0.433 142 M N -0.109 119.455 119.600 -0.060 0.000 2.492 142 M HA -0.016 4.464 4.480 0.000 0.000 0.262 142 M C 1.905 178.168 176.300 -0.062 0.000 1.090 142 M CA 0.734 55.983 55.300 -0.084 0.000 1.110 142 M CB -0.624 31.895 32.600 -0.137 0.000 1.407 142 M HN 0.151 nan 8.290 nan 0.000 0.470 143 R N 1.004 121.476 120.500 -0.047 0.000 2.152 143 R HA -0.133 4.207 4.340 0.000 0.000 0.232 143 R C 1.689 177.982 176.300 -0.013 0.000 1.117 143 R CA 1.185 57.266 56.100 -0.032 0.000 0.981 143 R CB 0.086 30.368 30.300 -0.030 0.000 0.870 143 R HN 0.322 nan 8.270 nan 0.000 0.451 144 K N -0.090 120.307 120.400 -0.006 0.000 2.362 144 K HA -0.064 4.256 4.320 0.000 0.000 0.200 144 K C 1.637 178.255 176.600 0.030 0.000 1.046 144 K CA 0.829 57.123 56.287 0.012 0.000 0.952 144 K CB 0.189 32.698 32.500 0.016 0.000 0.753 144 K HN 0.273 nan 8.250 nan 0.000 0.466 145 L N -0.850 120.392 121.223 0.031 0.000 2.642 145 L HA 0.128 4.468 4.340 0.000 0.000 0.233 145 L C 0.723 177.634 176.870 0.068 0.000 1.077 145 L CA 0.068 54.954 54.840 0.077 0.000 0.879 145 L CB 1.044 43.180 42.059 0.128 0.000 1.151 145 L HN -0.034 nan 8.230 nan 0.000 0.495 146 T N -1.520 113.042 114.554 0.015 0.000 2.942 146 T HA 0.216 4.566 4.350 0.000 0.000 0.327 146 T C 0.219 174.909 174.700 -0.016 0.000 1.360 146 T CA -0.146 61.957 62.100 0.006 0.000 1.055 146 T CB 1.625 70.477 68.868 -0.026 0.000 1.261 146 T HN 0.039 nan 8.240 nan 0.000 0.485 147 S N 2.749 118.441 115.700 -0.013 0.000 2.557 147 S HA 0.310 4.780 4.470 0.000 0.000 0.223 147 S C 0.422 175.003 174.600 -0.032 0.000 0.969 147 S CA -0.433 57.755 58.200 -0.020 0.000 0.927 147 S CB -0.115 63.080 63.200 -0.010 0.000 0.806 147 S HN 0.584 nan 8.310 nan 0.000 0.489 148 N N 1.671 120.344 118.700 -0.045 0.000 2.765 148 N HA 0.331 5.071 4.740 0.000 0.000 0.277 148 N C -1.650 173.824 175.510 -0.060 0.000 1.750 148 N CA -0.210 52.806 53.050 -0.056 0.000 0.827 148 N CB 1.335 39.774 38.487 -0.080 0.000 1.200 148 N HN 0.342 nan 8.380 nan 0.000 0.494 149 L N 1.399 122.590 121.223 -0.054 0.000 2.275 149 L HA 0.501 4.841 4.340 0.000 0.000 0.288 149 L C -0.268 176.584 176.870 -0.030 0.000 1.046 149 L CA -0.183 54.623 54.840 -0.056 0.000 0.805 149 L CB 0.597 42.610 42.059 -0.077 0.000 1.193 149 L HN 0.102 nan 8.230 nan 0.000 0.426 150 R N 6.362 126.860 120.500 -0.003 0.000 2.670 150 R HA 0.746 5.086 4.340 0.000 0.000 0.289 150 R C -1.004 175.319 176.300 0.038 0.000 0.965 150 R CA -0.821 55.291 56.100 0.020 0.000 0.899 150 R CB 2.095 32.418 30.300 0.038 0.000 1.173 150 R HN 0.795 nan 8.270 nan 0.000 0.456 151 I N -2.132 118.468 120.570 0.049 0.000 2.934 151 I HA 0.919 5.089 4.170 0.000 0.000 0.306 151 I C -0.451 175.796 176.117 0.217 0.000 1.110 151 I CA -0.892 60.460 61.300 0.086 0.000 1.019 151 I CB 2.721 40.673 38.000 -0.080 0.000 1.227 151 I HN 0.675 nan 8.210 nan 0.000 0.434 152 G N 2.175 111.176 108.800 0.335 0.000 2.687 152 G HA2 0.718 4.678 3.960 0.000 0.000 0.291 152 G HA3 0.718 4.678 3.960 0.000 0.000 0.291 152 G C -2.361 172.694 174.900 0.259 0.000 1.420 152 G CA -0.694 44.629 45.100 0.372 0.000 0.796 152 G HN 0.746 nan 8.290 nan 0.000 0.485 153 F N -0.495 119.330 119.950 -0.208 0.000 2.628 153 F HA 0.697 5.224 4.527 0.000 0.000 0.309 153 F C -0.065 175.519 175.800 -0.359 0.000 1.108 153 F CA 0.056 57.801 58.000 -0.424 0.000 0.971 153 F CB 2.149 40.848 39.000 -0.501 0.000 1.279 153 F HN 0.964 nan 8.300 nan 0.000 0.441 154 G N 2.075 110.382 108.800 -0.821 0.000 2.695 154 G HA2 0.854 4.814 3.960 0.000 0.000 0.290 154 G HA3 0.854 4.814 3.960 0.000 0.000 0.290 154 G C -2.270 172.404 174.900 -0.375 0.000 1.410 154 G CA -0.433 44.553 45.100 -0.190 0.000 0.844 154 G HN 1.135 nan 8.290 nan 0.000 0.478 155 A N -0.599 122.248 122.820 0.044 0.000 2.556 155 A HA 0.963 5.283 4.320 0.000 0.000 0.294 155 A C -1.284 176.658 177.584 0.596 0.000 1.091 155 A CA -0.737 51.402 52.037 0.170 0.000 0.704 155 A CB 1.476 20.585 19.000 0.182 0.000 1.300 155 A HN 1.985 nan 8.150 nan 0.000 0.406 156 F N -0.950 119.244 119.950 0.407 0.000 2.645 156 F HA 0.784 5.311 4.527 0.000 0.000 0.310 156 F C -0.443 175.402 175.800 0.075 0.000 1.102 156 F CA -0.783 57.442 58.000 0.375 0.000 0.952 156 F CB 0.918 40.127 39.000 0.348 0.000 1.326 156 F HN 0.350 nan 8.300 nan 0.000 0.456 157 V N -0.784 119.167 119.914 0.062 0.000 3.927 157 V HA 0.431 4.551 4.120 0.000 0.000 0.190 157 V C -0.854 175.370 176.094 0.217 0.000 1.201 157 V CA 0.607 62.864 62.300 -0.072 0.000 1.324 157 V CB 0.539 32.122 31.823 -0.400 0.000 1.545 157 V HN 0.893 nan 8.190 nan 0.000 0.534 158 D N -1.254 119.238 120.400 0.153 0.000 2.764 158 D HA 0.240 4.880 4.640 0.000 0.000 0.293 158 D C -1.517 174.876 176.300 0.156 0.000 1.287 158 D CA -0.625 53.486 54.000 0.185 0.000 0.768 158 D CB 1.445 42.312 40.800 0.111 0.000 1.288 158 D HN 0.097 nan 8.370 nan 0.000 0.426 159 K N 1.564 122.024 120.400 0.101 0.000 2.447 159 K HA 0.213 4.533 4.320 0.000 0.000 0.281 159 K C -1.946 174.766 176.600 0.187 0.000 1.031 159 K CA -0.960 55.397 56.287 0.117 0.000 1.019 159 K CB 0.377 32.903 32.500 0.042 0.000 0.918 159 K HN 0.117 nan 8.250 nan 0.000 0.476 160 P HA 0.050 nan 4.420 nan 0.000 0.244 160 P C -0.901 176.469 177.300 0.118 0.000 1.769 160 P CA 0.043 63.230 63.100 0.144 0.000 1.102 160 P CB 0.311 32.096 31.700 0.141 0.000 1.937 161 V N 1.401 121.402 119.914 0.146 0.000 3.077 161 V HA 0.331 4.451 4.120 0.000 0.000 0.299 161 V C -0.408 175.687 176.094 0.002 0.000 1.276 161 V CA -0.748 61.594 62.300 0.070 0.000 0.993 161 V CB 2.441 34.301 31.823 0.062 0.000 1.076 161 V HN 0.299 nan 8.190 nan 0.000 0.434 162 S N 6.195 121.857 115.700 -0.063 0.000 2.549 162 S HA 0.341 4.811 4.470 0.000 0.000 0.286 162 S C -1.494 172.926 174.600 -0.300 0.000 1.314 162 S CA 0.015 58.129 58.200 -0.144 0.000 1.062 162 S CB 1.083 64.229 63.200 -0.091 0.000 0.865 162 S HN 0.800 nan 8.310 nan 0.000 0.498 163 P HA 0.162 nan 4.420 nan 0.000 0.268 163 P C 0.153 177.275 177.300 -0.296 0.000 1.329 163 P CA 0.029 62.940 63.100 -0.316 0.000 0.899 163 P CB -0.032 31.510 31.700 -0.263 0.000 1.378 164 Y N -0.034 120.236 120.300 -0.050 0.000 2.293 164 Y HA 0.086 4.636 4.550 0.000 0.000 0.291 164 Y C 1.774 177.596 175.900 -0.130 0.000 1.137 164 Y CA 0.475 58.550 58.100 -0.042 0.000 1.202 164 Y CB -0.754 37.734 38.460 0.047 0.000 0.990 164 Y HN -0.007 nan 8.280 nan 0.000 0.537 165 M N 0.056 119.667 119.600 0.019 0.000 2.264 165 M HA 0.308 4.788 4.480 0.000 0.000 0.352 165 M C -1.416 174.819 176.300 -0.108 0.000 1.173 165 M CA -0.838 54.453 55.300 -0.015 0.000 1.075 165 M CB 0.749 33.394 32.600 0.075 0.000 1.621 165 M HN 0.018 nan 8.290 nan 0.000 0.457 166 Y N 5.133 125.474 120.300 0.068 0.000 2.526 166 Y HA 0.148 4.698 4.550 0.000 0.000 0.330 166 Y C 0.946 176.864 175.900 0.031 0.000 1.156 166 Y CA 0.128 58.259 58.100 0.052 0.000 1.419 166 Y CB 0.106 38.609 38.460 0.073 0.000 1.250 166 Y HN 0.658 nan 8.280 nan 0.000 0.540 167 I N -0.749 119.913 120.570 0.154 0.000 3.966 167 I HA 0.438 4.608 4.170 0.000 0.000 0.324 167 I C -0.381 175.762 176.117 0.044 0.000 1.517 167 I CA -0.240 61.104 61.300 0.074 0.000 1.117 167 I CB 0.207 38.227 38.000 0.035 0.000 1.190 167 I HN 0.374 nan 8.210 nan 0.000 0.466 168 S N 0.278 116.012 115.700 0.057 0.000 2.537 168 S HA 0.706 5.176 4.470 0.000 0.000 0.271 168 S C -2.976 171.600 174.600 -0.040 0.000 1.148 168 S CA -0.891 57.309 58.200 -0.001 0.000 0.868 168 S CB 1.559 64.773 63.200 0.024 0.000 1.115 168 S HN 0.024 nan 8.310 nan 0.000 0.461 169 P HA 0.400 nan 4.420 nan 0.000 0.286 169 P C -2.062 175.121 177.300 -0.195 0.000 1.293 169 P CA -1.262 61.744 63.100 -0.156 0.000 0.770 169 P CB -0.767 30.830 31.700 -0.172 0.000 1.206 170 P HA -0.202 nan 4.420 nan 0.000 0.217 170 P C 1.535 178.743 177.300 -0.152 0.000 1.151 170 P CA 1.624 64.659 63.100 -0.109 0.000 0.849 170 P CB -0.105 31.550 31.700 -0.075 0.000 0.787 171 E N -0.417 119.636 120.200 -0.246 0.000 2.160 171 E HA -0.196 4.154 4.350 0.000 0.000 0.195 171 E C 1.814 178.235 176.600 -0.299 0.000 0.991 171 E CA 1.095 57.333 56.400 -0.270 0.000 0.810 171 E CB -0.440 29.056 29.700 -0.339 0.000 0.742 171 E HN 0.116 nan 8.360 nan 0.000 0.466 172 A N 0.559 123.120 122.820 -0.431 0.000 2.067 172 A HA -0.067 4.253 4.320 0.000 0.000 0.219 172 A C 2.058 179.628 177.584 -0.023 0.000 1.158 172 A CA 0.580 52.482 52.037 -0.225 0.000 0.661 172 A CB -0.329 18.565 19.000 -0.176 0.000 0.801 172 A HN 0.278 nan 8.150 nan 0.000 0.452 173 L N -0.923 120.280 121.223 -0.033 0.000 2.056 173 L HA -0.153 4.187 4.340 0.000 0.000 0.207 173 L C 2.452 179.345 176.870 0.038 0.000 1.078 173 L CA 1.506 56.360 54.840 0.023 0.000 0.749 173 L CB -0.417 41.647 42.059 0.008 0.000 0.901 173 L HN 0.436 nan 8.230 nan 0.000 0.433 174 E N -0.596 119.612 120.200 0.013 0.000 2.230 174 E HA -0.083 4.267 4.350 0.000 0.000 0.192 174 E C 0.279 176.913 176.600 0.057 0.000 0.987 174 E CA 0.361 56.780 56.400 0.032 0.000 0.841 174 E CB 0.179 29.886 29.700 0.011 0.000 0.783 174 E HN 0.207 nan 8.360 nan 0.000 0.481 175 N N -0.240 118.494 118.700 0.056 0.000 2.685 175 N HA 0.114 4.854 4.740 0.000 0.000 0.252 175 N C -2.564 173.018 175.510 0.121 0.000 1.261 175 N CA -1.822 51.284 53.050 0.093 0.000 0.768 175 N CB 1.123 39.667 38.487 0.096 0.000 1.304 175 N HN -0.277 nan 8.380 nan 0.000 0.536 176 P HA -0.004 nan 4.420 nan 0.000 0.223 176 P C 0.375 177.700 177.300 0.041 0.000 1.144 176 P CA 0.895 64.069 63.100 0.122 0.000 0.783 176 P CB 0.165 31.967 31.700 0.170 0.000 0.771 177 c N -2.370 116.255 118.600 0.041 0.000 2.693 177 c HA 0.134 4.704 4.570 0.000 0.000 0.286 177 c C 2.291 176.349 174.090 -0.054 0.000 1.277 177 c CA -0.728 55.558 56.329 -0.072 0.000 1.705 177 c CB -2.405 40.074 42.510 -0.051 0.000 1.879 177 c HN 0.372 nan 8.230 nan 0.000 0.607 178 Y N 3.029 123.269 120.300 -0.099 0.000 2.128 178 Y HA -0.202 4.348 4.550 0.000 0.000 0.284 178 Y C 1.819 177.664 175.900 -0.092 0.000 1.154 178 Y CA 2.185 60.241 58.100 -0.074 0.000 1.149 178 Y CB -0.625 37.801 38.460 -0.056 0.000 0.976 178 Y HN 0.372 nan 8.280 nan 0.000 0.505 179 D N 0.549 120.129 120.400 -1.366 0.000 2.352 179 D HA 0.005 4.645 4.640 0.000 0.000 0.232 179 D C 0.482 176.470 176.300 -0.520 0.000 1.055 179 D CA 0.338 53.644 54.000 -1.156 0.000 0.891 179 D CB -0.424 39.705 40.800 -1.119 0.000 0.897 179 D HN 0.519 nan 8.370 nan 0.000 0.529 180 M N -0.505 118.866 119.600 -0.382 0.000 2.544 180 M HA 0.326 4.806 4.480 0.000 0.000 0.239 180 M C 0.671 176.866 176.300 -0.176 0.000 1.030 180 M CA -0.783 54.369 55.300 -0.247 0.000 1.193 180 M CB 0.868 33.319 32.600 -0.248 0.000 1.346 180 M HN -0.406 nan 8.290 nan 0.000 0.651 181 K N 0.820 121.155 120.400 -0.109 0.000 2.811 181 K HA 0.211 4.531 4.320 0.000 0.000 0.217 181 K C -0.750 175.833 176.600 -0.030 0.000 1.115 181 K CA -0.055 56.193 56.287 -0.066 0.000 1.179 181 K CB -0.037 32.434 32.500 -0.048 0.000 0.994 181 K HN 0.787 nan 8.250 nan 0.000 0.464 182 T N -3.778 110.761 114.554 -0.026 0.000 2.626 182 T HA 0.330 4.680 4.350 0.000 0.000 0.299 182 T C -0.420 174.303 174.700 0.039 0.000 1.181 182 T CA -0.783 61.330 62.100 0.021 0.000 1.053 182 T CB 1.897 70.805 68.868 0.067 0.000 1.566 182 T HN -0.192 nan 8.240 nan 0.000 0.486 183 T N 0.913 115.510 114.554 0.071 0.000 2.861 183 T HA 0.744 5.094 4.350 0.000 0.000 0.287 183 T C -0.202 174.571 174.700 0.122 0.000 1.003 183 T CA -0.614 61.537 62.100 0.085 0.000 0.977 183 T CB 0.615 69.525 68.868 0.070 0.000 0.996 183 T HN 1.202 nan 8.240 nan 0.000 0.448 184 c N 1.911 120.591 118.600 0.133 0.000 3.285 184 c HA 0.807 5.377 4.570 0.000 0.000 0.320 184 c C -0.304 173.882 174.090 0.160 0.000 1.411 184 c CA -1.389 55.042 56.329 0.169 0.000 1.429 184 c CB -0.167 42.484 42.510 0.235 0.000 1.812 184 c HN 0.876 nan 8.230 nan 0.000 0.454 185 L N 2.110 123.449 121.223 0.195 0.000 2.452 185 L HA 0.349 4.689 4.340 0.000 0.000 0.267 185 L C -1.901 175.103 176.870 0.223 0.000 1.188 185 L CA -1.063 53.905 54.840 0.214 0.000 0.821 185 L CB 0.469 42.710 42.059 0.303 0.000 1.102 185 L HN 0.501 nan 8.230 nan 0.000 0.470 186 P HA -0.047 nan 4.420 nan 0.000 0.267 186 P C -0.268 177.194 177.300 0.271 0.000 1.201 186 P CA 0.094 63.310 63.100 0.193 0.000 0.775 186 P CB 0.449 32.241 31.700 0.153 0.000 0.854 187 M N 3.170 122.891 119.600 0.202 0.000 2.248 187 M HA 0.308 4.788 4.480 0.000 0.000 0.337 187 M C -0.493 175.965 176.300 0.263 0.000 1.121 187 M CA 0.573 55.958 55.300 0.142 0.000 1.155 187 M CB -0.166 32.498 32.600 0.107 0.000 1.514 187 M HN 0.293 nan 8.290 nan 0.000 0.452 188 F N 0.778 120.850 119.950 0.204 0.000 2.613 188 F HA 0.714 5.241 4.527 0.000 0.000 0.310 188 F C 0.252 176.216 175.800 0.273 0.000 1.085 188 F CA -0.850 57.303 58.000 0.255 0.000 0.945 188 F CB 0.665 39.851 39.000 0.309 0.000 1.298 188 F HN 0.552 nan 8.300 nan 0.000 0.455 189 G N 0.493 109.586 108.800 0.488 0.000 2.518 189 G HA2 0.133 4.093 3.960 0.000 0.000 0.213 189 G HA3 0.133 4.093 3.960 0.000 0.000 0.213 189 G C -1.183 174.100 174.900 0.639 0.000 1.226 189 G CA 0.894 46.266 45.100 0.453 0.000 0.822 189 G HN 0.802 nan 8.290 nan 0.000 0.546 190 Y N 1.006 121.626 120.300 0.534 0.000 2.441 190 Y HA 0.548 5.098 4.550 0.000 0.000 0.334 190 Y C -1.171 174.895 175.900 0.276 0.000 1.061 190 Y CA -1.724 56.650 58.100 0.458 0.000 1.032 190 Y CB 1.339 39.993 38.460 0.323 0.000 1.266 190 Y HN 0.282 nan 8.280 nan 0.000 0.441 191 K N 4.102 124.184 120.400 -0.529 0.000 2.426 191 K HA 0.405 4.725 4.320 0.000 0.000 0.254 191 K C -1.592 174.503 176.600 -0.842 0.000 0.936 191 K CA -0.980 54.778 56.287 -0.882 0.000 0.801 191 K CB 1.810 33.675 32.500 -1.058 0.000 1.139 191 K HN 0.795 nan 8.250 nan 0.000 0.424 192 H N 2.225 120.835 119.070 -0.766 0.000 2.764 192 H HA 0.173 4.729 4.556 0.000 0.000 0.341 192 H C -0.055 175.199 175.328 -0.122 0.000 1.072 192 H CA 0.032 55.923 56.048 -0.261 0.000 1.444 192 H CB 1.094 30.806 29.762 -0.083 0.000 1.458 192 H HN 0.491 nan 8.280 nan 0.000 0.572 193 V N 4.082 123.684 119.914 -0.520 0.000 2.948 193 V HA 0.138 4.258 4.120 0.000 0.000 0.234 193 V C -0.364 175.463 176.094 -0.446 0.000 1.205 193 V CA 0.127 62.215 62.300 -0.354 0.000 1.234 193 V CB 0.168 31.968 31.823 -0.038 0.000 1.020 193 V HN 0.552 nan 8.190 nan 0.000 0.491 194 L N 0.868 121.849 121.223 -0.403 0.000 2.406 194 L HA 0.601 4.941 4.340 0.000 0.000 0.270 194 L C -0.180 176.751 176.870 0.103 0.000 0.982 194 L CA 0.101 54.855 54.840 -0.143 0.000 0.843 194 L CB 1.419 43.454 42.059 -0.040 0.000 1.225 194 L HN 0.084 nan 8.230 nan 0.000 0.412 195 T N 5.340 120.013 114.554 0.197 0.000 2.940 195 T HA 0.274 4.624 4.350 0.000 0.000 0.309 195 T C 0.543 175.345 174.700 0.171 0.000 1.056 195 T CA -0.086 62.199 62.100 0.308 0.000 1.137 195 T CB 0.099 69.090 68.868 0.204 0.000 0.976 195 T HN 0.501 nan 8.240 nan 0.000 0.547 196 L N 3.192 124.478 121.223 0.105 0.000 2.667 196 L HA 0.109 4.449 4.340 0.000 0.000 0.278 196 L C 1.010 177.914 176.870 0.058 0.000 1.217 196 L CA 0.482 55.362 54.840 0.066 0.000 0.935 196 L CB -0.181 41.851 42.059 -0.045 0.000 1.193 196 L HN 0.657 nan 8.230 nan 0.000 0.493 197 T N 0.112 114.707 114.554 0.069 0.000 2.900 197 T HA 0.262 4.612 4.350 0.000 0.000 0.303 197 T C 0.216 174.934 174.700 0.031 0.000 1.142 197 T CA -0.679 61.447 62.100 0.045 0.000 1.007 197 T CB 1.444 70.339 68.868 0.046 0.000 1.156 197 T HN 0.685 nan 8.240 nan 0.000 0.490 198 D N 1.703 122.111 120.400 0.014 0.000 2.340 198 D HA 0.027 4.667 4.640 0.000 0.000 0.220 198 D C 0.297 176.594 176.300 -0.005 0.000 1.039 198 D CA 0.223 54.222 54.000 -0.002 0.000 0.866 198 D CB 0.191 40.986 40.800 -0.009 0.000 0.913 198 D HN 0.322 nan 8.370 nan 0.000 0.523 199 Q N 1.335 121.139 119.800 0.005 0.000 2.681 199 Q HA 0.126 4.466 4.340 0.000 0.000 0.222 199 Q C 1.566 177.571 176.000 0.009 0.000 1.258 199 Q CA -0.159 55.645 55.803 0.002 0.000 1.014 199 Q CB 1.417 30.157 28.738 0.003 0.000 1.384 199 Q HN 0.303 nan 8.270 nan 0.000 0.570 200 V N -0.037 119.872 119.914 -0.007 0.000 2.594 200 V HA -0.207 3.913 4.120 0.000 0.000 0.253 200 V C 1.891 177.997 176.094 0.020 0.000 1.069 200 V CA 2.136 64.431 62.300 -0.009 0.000 1.082 200 V CB -1.295 30.488 31.823 -0.067 0.000 0.680 200 V HN 0.603 nan 8.190 nan 0.000 0.469 201 T N -2.250 112.303 114.554 -0.001 0.000 3.007 201 T HA -0.084 4.266 4.350 0.000 0.000 0.270 201 T C 1.962 176.659 174.700 -0.005 0.000 1.107 201 T CA 0.979 63.074 62.100 -0.008 0.000 1.118 201 T CB -0.526 68.327 68.868 -0.025 0.000 0.889 201 T HN 0.494 nan 8.240 nan 0.000 0.506 202 R N -0.212 120.293 120.500 0.009 0.000 2.096 202 R HA 0.019 4.359 4.340 0.000 0.000 0.235 202 R C 2.058 178.349 176.300 -0.015 0.000 1.127 202 R CA 1.348 57.443 56.100 -0.009 0.000 0.968 202 R CB -0.730 29.573 30.300 0.004 0.000 0.861 202 R HN 0.520 nan 8.270 nan 0.000 0.440 203 F N 2.473 122.352 119.950 -0.119 0.000 2.075 203 F HA -0.213 4.314 4.527 0.000 0.000 0.297 203 F C 1.932 177.591 175.800 -0.234 0.000 1.113 203 F CA 1.542 59.441 58.000 -0.168 0.000 1.218 203 F CB -0.176 38.743 39.000 -0.134 0.000 0.984 203 F HN -0.026 nan 8.300 nan 0.000 0.472 204 N N 0.633 119.392 118.700 0.097 0.000 2.069 204 N HA -0.185 4.555 4.740 0.000 0.000 0.191 204 N C 1.695 177.102 175.510 -0.171 0.000 1.031 204 N CA 1.709 54.735 53.050 -0.040 0.000 0.852 204 N CB -0.565 37.896 38.487 -0.044 0.000 1.018 204 N HN 0.389 nan 8.380 nan 0.000 0.423 205 E N 0.776 120.888 120.200 -0.146 0.000 2.158 205 E HA -0.063 4.287 4.350 0.000 0.000 0.191 205 E C 1.648 178.119 176.600 -0.215 0.000 0.982 205 E CA 0.472 56.779 56.400 -0.155 0.000 0.823 205 E CB -0.050 29.586 29.700 -0.106 0.000 0.766 205 E HN 0.416 nan 8.360 nan 0.000 0.468 206 E N 0.684 120.714 120.200 -0.283 0.000 2.077 206 E HA -0.100 4.250 4.350 0.000 0.000 0.193 206 E C 2.314 178.620 176.600 -0.490 0.000 0.989 206 E CA 0.566 56.752 56.400 -0.357 0.000 0.800 206 E CB -0.147 29.311 29.700 -0.403 0.000 0.746 206 E HN 0.073 nan 8.360 nan 0.000 0.452 207 V N 1.498 121.016 119.914 -0.660 0.000 2.343 207 V HA -0.234 3.886 4.120 0.000 0.000 0.247 207 V C 2.100 177.953 176.094 -0.401 0.000 1.051 207 V CA 1.696 63.553 62.300 -0.738 0.000 1.036 207 V CB -0.358 30.974 31.823 -0.819 0.000 0.654 207 V HN 0.207 nan 8.190 nan 0.000 0.451 208 K N -0.149 120.074 120.400 -0.294 0.000 2.360 208 K HA -0.124 4.196 4.320 0.000 0.000 0.201 208 K C 1.890 178.412 176.600 -0.131 0.000 1.046 208 K CA 0.965 57.140 56.287 -0.185 0.000 0.945 208 K CB -0.097 32.307 32.500 -0.160 0.000 0.750 208 K HN 0.406 nan 8.250 nan 0.000 0.464 209 K N 0.022 120.323 120.400 -0.165 0.000 2.367 209 K HA 0.073 4.393 4.320 0.000 0.000 0.194 209 K C 0.275 176.813 176.600 -0.104 0.000 1.027 209 K CA 0.020 56.238 56.287 -0.114 0.000 1.075 209 K CB 0.529 32.958 32.500 -0.119 0.000 0.845 209 K HN 0.062 nan 8.250 nan 0.000 0.529 210 Q N 1.016 120.729 119.800 -0.145 0.000 2.368 210 Q HA 0.132 4.472 4.340 0.000 0.000 0.237 210 Q C 0.147 176.140 176.000 -0.012 0.000 0.987 210 Q CA 0.229 55.977 55.803 -0.093 0.000 0.896 210 Q CB 1.729 30.386 28.738 -0.135 0.000 1.241 210 Q HN 0.176 nan 8.270 nan 0.000 0.485 211 S N -1.510 114.220 115.700 0.050 0.000 2.625 211 S HA 0.651 5.121 4.470 0.000 0.000 0.271 211 S C -0.267 174.431 174.600 0.163 0.000 1.161 211 S CA -0.793 57.460 58.200 0.088 0.000 0.820 211 S CB 0.693 63.941 63.200 0.080 0.000 1.137 211 S HN 0.438 nan 8.310 nan 0.000 0.470 212 V N -0.740 119.256 119.914 0.137 0.000 3.170 212 V HA 0.872 4.992 4.120 0.000 0.000 0.309 212 V C 0.450 176.681 176.094 0.229 0.000 1.071 212 V CA -0.116 62.279 62.300 0.159 0.000 1.063 212 V CB 1.040 32.891 31.823 0.047 0.000 1.123 212 V HN 1.100 nan 8.190 nan 0.000 0.464 213 S N 0.664 116.477 115.700 0.188 0.000 2.894 213 S HA 0.764 5.234 4.470 0.000 0.000 0.298 213 S C -0.469 174.246 174.600 0.191 0.000 1.054 213 S CA -0.958 57.348 58.200 0.176 0.000 0.903 213 S CB 1.517 64.748 63.200 0.052 0.000 1.356 213 S HN 1.120 nan 8.310 nan 0.000 0.626 214 R N 0.687 121.281 120.500 0.157 0.000 2.536 214 R HA 0.418 4.758 4.340 0.000 0.000 0.269 214 R C -1.683 174.751 176.300 0.224 0.000 1.113 214 R CA -0.350 55.861 56.100 0.186 0.000 0.948 214 R CB 0.885 31.260 30.300 0.125 0.000 1.237 214 R HN 0.965 nan 8.270 nan 0.000 0.441 215 N N 0.745 119.571 118.700 0.210 0.000 2.902 215 N HA 0.334 5.074 4.740 0.000 0.000 0.268 215 N C -0.119 175.449 175.510 0.098 0.000 1.450 215 N CA -1.054 52.085 53.050 0.147 0.000 0.819 215 N CB 1.704 40.248 38.487 0.097 0.000 1.540 215 N HN 0.516 nan 8.380 nan 0.000 0.545 216 R N -0.798 119.630 120.500 -0.120 0.000 2.105 216 R HA 0.046 4.386 4.340 0.000 0.000 0.214 216 R C -0.616 175.696 176.300 0.021 0.000 1.091 216 R CA 0.783 56.778 56.100 -0.174 0.000 1.007 216 R CB -0.175 29.830 30.300 -0.491 0.000 0.912 216 R HN 0.839 nan 8.270 nan 0.000 0.450 217 D N -0.984 119.469 120.400 0.089 0.000 2.228 217 D HA 0.186 4.826 4.640 0.000 0.000 0.247 217 D C 0.276 176.614 176.300 0.063 0.000 0.995 217 D CA -0.193 53.873 54.000 0.109 0.000 0.903 217 D CB 1.798 42.724 40.800 0.211 0.000 1.205 217 D HN 0.075 nan 8.370 nan 0.000 0.459 218 A N 1.593 124.423 122.820 0.017 0.000 1.898 218 A HA 0.118 4.438 4.320 0.000 0.000 0.216 218 A C -1.514 176.021 177.584 -0.082 0.000 1.181 218 A CA 0.652 52.683 52.037 -0.011 0.000 0.620 218 A CB -1.524 17.471 19.000 -0.009 0.000 0.819 218 A HN 0.559 nan 8.150 nan 0.000 0.442 219 P HA 0.266 nan 4.420 nan 0.000 0.271 219 P C -0.173 176.885 177.300 -0.404 0.000 1.216 219 P CA 0.204 63.050 63.100 -0.423 0.000 0.776 219 P CB 0.712 31.931 31.700 -0.802 0.000 0.881 220 E N 0.898 120.988 120.200 -0.183 0.000 2.303 220 E HA 0.448 4.798 4.350 0.000 0.000 0.254 220 E C 0.870 177.544 176.600 0.123 0.000 0.979 220 E CA -0.853 55.592 56.400 0.074 0.000 0.843 220 E CB 0.828 30.680 29.700 0.254 0.000 1.245 220 E HN 0.455 nan 8.360 nan 0.000 0.413 221 G N -0.341 108.639 108.800 0.299 0.000 3.702 221 G HA2 0.195 4.155 3.960 0.000 0.000 0.288 221 G HA3 0.195 4.155 3.960 0.000 0.000 0.288 221 G C 0.934 175.893 174.900 0.097 0.000 1.193 221 G CA 0.246 45.537 45.100 0.318 0.000 0.952 221 G HN 0.448 nan 8.290 nan 0.000 0.544 222 G N 0.697 109.363 108.800 -0.222 0.000 2.448 222 G HA2 -0.171 3.789 3.960 0.000 0.000 0.219 222 G HA3 -0.171 3.789 3.960 0.000 0.000 0.219 222 G C 1.374 176.223 174.900 -0.084 0.000 1.127 222 G CA 0.461 45.084 45.100 -0.795 0.000 0.766 222 G HN 0.333 nan 8.290 nan 0.000 0.552 223 F N 1.629 121.462 119.950 -0.194 0.000 2.216 223 F HA 0.022 4.549 4.527 0.000 0.000 0.300 223 F C 2.275 177.987 175.800 -0.145 0.000 1.085 223 F CA 0.387 58.266 58.000 -0.201 0.000 1.326 223 F CB -0.609 38.307 39.000 -0.140 0.000 1.027 223 F HN 0.108 nan 8.300 nan 0.000 0.497 224 D N 0.026 120.520 120.400 0.157 0.000 2.123 224 D HA -0.154 4.486 4.640 0.000 0.000 0.196 224 D C 2.341 178.468 176.300 -0.288 0.000 0.992 224 D CA 1.508 55.502 54.000 -0.009 0.000 0.833 224 D CB -0.358 40.535 40.800 0.154 0.000 0.954 224 D HN 0.215 nan 8.370 nan 0.000 0.455 225 A N 0.148 122.806 122.820 -0.269 0.000 1.929 225 A HA -0.040 4.280 4.320 0.000 0.000 0.216 225 A C 2.362 179.651 177.584 -0.491 0.000 1.176 225 A CA 0.498 52.196 52.037 -0.565 0.000 0.628 225 A CB -0.504 18.338 19.000 -0.262 0.000 0.816 225 A HN 0.176 nan 8.150 nan 0.000 0.444 226 I N -1.098 119.304 120.570 -0.279 0.000 2.226 226 I HA -0.284 3.886 4.170 0.000 0.000 0.245 226 I C 2.630 178.589 176.117 -0.263 0.000 1.100 226 I CA 1.862 63.014 61.300 -0.246 0.000 1.374 226 I CB -0.203 37.578 38.000 -0.364 0.000 1.057 226 I HN 0.428 nan 8.210 nan 0.000 0.413 227 M N 0.353 119.788 119.600 -0.276 0.000 2.086 227 M HA -0.234 4.246 4.480 0.000 0.000 0.261 227 M C 2.221 178.374 176.300 -0.244 0.000 1.067 227 M CA 1.882 57.042 55.300 -0.234 0.000 1.116 227 M CB -0.398 32.089 32.600 -0.188 0.000 1.348 227 M HN 0.085 nan 8.290 nan 0.000 0.407 228 Q N -0.202 119.375 119.800 -0.372 0.000 2.083 228 Q HA 0.056 4.396 4.340 0.000 0.000 0.198 228 Q C 2.249 178.123 176.000 -0.210 0.000 0.969 228 Q CA 1.792 57.410 55.803 -0.307 0.000 0.838 228 Q CB -0.953 27.544 28.738 -0.402 0.000 0.900 228 Q HN 0.686 nan 8.270 nan 0.000 0.436 229 A N 0.288 122.931 122.820 -0.296 0.000 2.070 229 A HA -0.121 4.199 4.320 0.000 0.000 0.220 229 A C 2.200 179.814 177.584 0.050 0.000 1.159 229 A CA 1.758 53.708 52.037 -0.145 0.000 0.656 229 A CB -0.444 18.534 19.000 -0.037 0.000 0.800 229 A HN 0.336 nan 8.150 nan 0.000 0.453 230 T N -0.775 113.764 114.554 -0.025 0.000 2.852 230 T HA -0.020 4.330 4.350 0.000 0.000 0.256 230 T C 1.838 176.512 174.700 -0.043 0.000 1.038 230 T CA 1.715 63.791 62.100 -0.040 0.000 1.141 230 T CB -0.251 68.530 68.868 -0.145 0.000 0.869 230 T HN 0.603 nan 8.240 nan 0.000 0.439 231 V N -1.257 118.618 119.914 -0.065 0.000 3.650 231 V HA 0.255 4.375 4.120 0.000 0.000 0.271 231 V C 1.062 177.132 176.094 -0.040 0.000 1.281 231 V CA -0.211 62.054 62.300 -0.059 0.000 1.120 231 V CB -1.050 30.733 31.823 -0.068 0.000 0.856 231 V HN 0.356 nan 8.190 nan 0.000 0.443 232 c N 2.552 121.130 118.600 -0.037 0.000 3.057 232 c HA 0.319 4.889 4.570 0.000 0.000 0.563 232 c C 1.644 175.697 174.090 -0.060 0.000 1.129 232 c CA -0.500 55.798 56.329 -0.052 0.000 1.284 232 c CB -2.005 40.471 42.510 -0.056 0.000 1.532 232 c HN 0.541 nan 8.230 nan 0.000 0.631 233 D N 1.419 121.816 120.400 -0.004 0.000 2.127 233 D HA -0.207 4.433 4.640 0.000 0.000 0.190 233 D C 2.047 178.332 176.300 -0.026 0.000 1.000 233 D CA 1.635 55.665 54.000 0.049 0.000 0.839 233 D CB -0.080 40.735 40.800 0.025 0.000 0.955 233 D HN 0.708 nan 8.370 nan 0.000 0.446 234 E N 0.241 120.415 120.200 -0.044 0.000 2.107 234 E HA -0.165 4.185 4.350 0.000 0.000 0.191 234 E C 1.958 178.496 176.600 -0.103 0.000 0.982 234 E CA 0.818 57.187 56.400 -0.052 0.000 0.809 234 E CB 0.111 29.792 29.700 -0.031 0.000 0.756 234 E HN 0.087 nan 8.360 nan 0.000 0.459 235 K N 0.043 120.355 120.400 -0.147 0.000 2.062 235 K HA -0.120 4.200 4.320 0.000 0.000 0.205 235 K C 1.885 178.213 176.600 -0.453 0.000 1.051 235 K CA 1.012 57.160 56.287 -0.232 0.000 0.941 235 K CB 0.025 32.391 32.500 -0.224 0.000 0.719 235 K HN 0.071 nan 8.250 nan 0.000 0.440 236 I N 0.315 120.566 120.570 -0.532 0.000 2.439 236 I HA 0.023 4.193 4.170 0.000 0.000 0.251 236 I C 1.368 177.155 176.117 -0.550 0.000 1.139 236 I CA 1.476 62.324 61.300 -0.753 0.000 1.438 236 I CB -0.103 37.259 38.000 -1.063 0.000 1.085 236 I HN 0.522 nan 8.210 nan 0.000 0.427 237 G N -0.826 107.751 108.800 -0.372 0.000 2.130 237 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 237 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 237 G C -0.060 174.766 174.900 -0.122 0.000 0.999 237 G CA -0.404 44.584 45.100 -0.187 0.000 0.686 237 G HN 0.263 nan 8.290 nan 0.000 0.515 238 W N 0.495 121.732 121.300 -0.104 0.000 2.314 238 W HA 0.438 5.098 4.660 0.000 0.000 0.339 238 W C 1.308 177.810 176.519 -0.028 0.000 1.293 238 W CA -0.389 56.882 57.345 -0.124 0.000 1.288 238 W CB 0.400 29.622 29.460 -0.397 0.000 1.186 238 W HN 0.136 nan 8.180 nan 0.000 0.566 239 R N 2.222 122.941 120.500 0.366 0.000 2.486 239 R HA 0.114 4.454 4.340 0.000 0.000 0.286 239 R C 1.124 177.607 176.300 0.305 0.000 0.999 239 R CA -0.883 55.366 56.100 0.248 0.000 0.993 239 R CB 0.807 31.205 30.300 0.164 0.000 1.084 239 R HN 0.496 nan 8.270 nan 0.000 0.487 240 N N 1.137 119.938 118.700 0.170 0.000 2.149 240 N HA -0.136 4.604 4.740 0.000 0.000 0.188 240 N C -0.374 175.209 175.510 0.122 0.000 1.019 240 N CA 1.447 54.584 53.050 0.146 0.000 0.857 240 N CB 0.161 38.699 38.487 0.086 0.000 0.997 240 N HN 0.521 nan 8.380 nan 0.000 0.426 241 D N 0.357 120.789 120.400 0.054 0.000 2.551 241 D HA 0.480 5.120 4.640 0.000 0.000 0.294 241 D C -0.720 175.424 176.300 -0.259 0.000 1.201 241 D CA 0.046 54.034 54.000 -0.020 0.000 0.941 241 D CB 0.794 41.580 40.800 -0.023 0.000 0.995 241 D HN 0.095 nan 8.370 nan 0.000 0.502 242 A N 0.291 122.992 122.820 -0.199 0.000 2.612 242 A HA 0.527 4.847 4.320 0.000 0.000 0.293 242 A C -0.314 177.102 177.584 -0.280 0.000 1.075 242 A CA -0.657 51.201 52.037 -0.299 0.000 0.680 242 A CB 1.312 20.228 19.000 -0.140 0.000 1.279 242 A HN 0.083 nan 8.150 nan 0.000 0.411 243 S N 0.732 116.404 115.700 -0.047 0.000 2.549 243 S HA 0.320 4.790 4.470 0.000 0.000 0.283 243 S C -0.483 174.039 174.600 -0.130 0.000 1.320 243 S CA 0.320 58.477 58.200 -0.072 0.000 1.058 243 S CB -0.235 63.088 63.200 0.205 0.000 0.882 243 S HN 0.594 nan 8.310 nan 0.000 0.498 244 H N 1.756 120.855 119.070 0.049 0.000 2.595 244 H HA 0.409 4.965 4.556 0.000 0.000 0.313 244 H C -0.593 174.736 175.328 0.002 0.000 1.023 244 H CA -0.620 55.415 56.048 -0.023 0.000 1.218 244 H CB 0.543 29.974 29.762 -0.553 0.000 1.403 244 H HN 0.323 nan 8.280 nan 0.000 0.477 245 L N 4.340 125.765 121.223 0.338 0.000 2.287 245 L HA 0.272 4.612 4.340 0.000 0.000 0.287 245 L C -0.717 176.402 176.870 0.416 0.000 1.022 245 L CA -0.958 54.045 54.840 0.273 0.000 0.814 245 L CB 1.429 43.636 42.059 0.247 0.000 1.217 245 L HN 0.388 nan 8.230 nan 0.000 0.420 246 L N 5.365 126.756 121.223 0.280 0.000 2.277 246 L HA 0.400 4.740 4.340 0.000 0.000 0.284 246 L C -0.461 176.535 176.870 0.210 0.000 1.028 246 L CA -0.199 54.856 54.840 0.359 0.000 0.835 246 L CB 1.472 43.680 42.059 0.249 0.000 1.215 246 L HN 0.260 nan 8.230 nan 0.000 0.425 247 V N 6.351 126.384 119.914 0.198 0.000 2.334 247 V HA 0.251 4.371 4.120 0.000 0.000 0.267 247 V C -0.331 175.770 176.094 0.011 0.000 1.040 247 V CA -0.279 62.059 62.300 0.063 0.000 0.866 247 V CB 0.569 32.386 31.823 -0.012 0.000 1.019 247 V HN 0.619 nan 8.190 nan 0.000 0.468 248 F N 5.637 125.553 119.950 -0.057 0.000 2.361 248 F HA 0.581 5.108 4.527 0.000 0.000 0.364 248 F C 0.594 176.397 175.800 0.005 0.000 1.117 248 F CA -0.372 57.642 58.000 0.023 0.000 1.071 248 F CB 1.211 40.286 39.000 0.126 0.000 1.188 248 F HN 0.531 nan 8.300 nan 0.000 0.464 249 T N 2.494 116.822 114.554 -0.377 0.000 2.779 249 T HA 0.661 5.012 4.350 0.000 0.000 0.280 249 T C -0.354 174.112 174.700 -0.390 0.000 0.987 249 T CA -0.530 61.382 62.100 -0.312 0.000 0.966 249 T CB 1.591 70.313 68.868 -0.244 0.000 0.933 249 T HN 0.719 nan 8.240 nan 0.000 0.442 250 T N 1.143 115.526 114.554 -0.284 0.000 2.802 250 T HA 0.463 4.813 4.350 0.000 0.000 0.311 250 T C -1.151 173.494 174.700 -0.092 0.000 1.405 250 T CA -0.514 61.466 62.100 -0.201 0.000 1.016 250 T CB 1.724 70.494 68.868 -0.164 0.000 1.352 250 T HN 0.760 nan 8.240 nan 0.000 0.498 251 D N 0.617 120.999 120.400 -0.029 0.000 2.535 251 D HA 0.540 5.180 4.640 0.000 0.000 0.229 251 D C 0.136 176.472 176.300 0.060 0.000 1.238 251 D CA -0.204 53.806 54.000 0.017 0.000 0.824 251 D CB 0.412 41.218 40.800 0.011 0.000 1.045 251 D HN 0.640 nan 8.370 nan 0.000 0.500 252 A N -0.005 122.873 122.820 0.096 0.000 2.532 252 A HA 0.603 4.923 4.320 0.000 0.000 0.290 252 A C -0.216 177.483 177.584 0.191 0.000 1.143 252 A CA -0.936 51.166 52.037 0.108 0.000 0.728 252 A CB 1.530 20.566 19.000 0.061 0.000 1.317 252 A HN -0.024 nan 8.150 nan 0.000 0.414 253 K N -0.281 120.162 120.400 0.072 0.000 2.229 253 K HA 0.377 4.697 4.320 0.000 0.000 0.250 253 K C 0.006 176.569 176.600 -0.062 0.000 1.016 253 K CA 0.505 56.778 56.287 -0.023 0.000 0.866 253 K CB 0.237 32.667 32.500 -0.115 0.000 1.028 253 K HN 0.610 nan 8.250 nan 0.000 0.514 254 T N 0.020 114.434 114.554 -0.232 0.000 2.900 254 T HA 0.191 4.541 4.350 0.000 0.000 0.295 254 T C -1.007 173.337 174.700 -0.593 0.000 1.044 254 T CA -0.825 61.021 62.100 -0.423 0.000 0.995 254 T CB 0.617 69.058 68.868 -0.712 0.000 1.072 254 T HN 0.377 nan 8.240 nan 0.000 0.473 255 H N 2.844 121.559 119.070 -0.593 0.000 2.679 255 H HA 0.558 5.114 4.556 0.000 0.000 0.369 255 H C 0.464 175.317 175.328 -0.792 0.000 1.178 255 H CA 0.084 55.654 56.048 -0.797 0.000 1.419 255 H CB 0.691 29.570 29.762 -1.471 0.000 1.458 255 H HN 0.663 nan 8.280 nan 0.000 0.605 256 I N -1.805 118.532 120.570 -0.388 0.000 3.191 256 I HA 0.624 4.794 4.170 0.000 0.000 0.313 256 I C -0.258 175.895 176.117 0.060 0.000 1.193 256 I CA -1.615 59.618 61.300 -0.112 0.000 0.968 256 I CB 1.650 39.611 38.000 -0.065 0.000 1.262 256 I HN 0.492 nan 8.210 nan 0.000 0.456 257 A N 2.850 125.762 122.820 0.154 0.000 2.565 257 A HA 0.392 4.712 4.320 0.000 0.000 0.237 257 A C 0.833 178.497 177.584 0.133 0.000 1.053 257 A CA 0.593 52.734 52.037 0.173 0.000 0.755 257 A CB -0.380 18.692 19.000 0.120 0.000 0.980 257 A HN 1.127 nan 8.150 nan 0.000 0.506 258 L N -0.046 121.266 121.223 0.149 0.000 4.110 258 L HA -0.257 4.083 4.340 0.000 0.000 0.404 258 L C 0.924 177.871 176.870 0.130 0.000 0.763 258 L CA 0.976 55.884 54.840 0.113 0.000 2.413 258 L CB -1.532 40.573 42.059 0.077 0.000 1.244 258 L HN 0.722 nan 8.230 nan 0.000 0.614 259 D N 0.714 121.213 120.400 0.165 0.000 2.178 259 D HA -0.055 4.585 4.640 0.000 0.000 0.202 259 D C 1.970 178.416 176.300 0.243 0.000 0.974 259 D CA 1.546 55.646 54.000 0.166 0.000 0.841 259 D CB -0.203 40.631 40.800 0.056 0.000 0.953 259 D HN 0.562 nan 8.370 nan 0.000 0.478 260 G N 0.498 109.491 108.800 0.323 0.000 2.501 260 G HA2 -0.317 3.643 3.960 0.000 0.000 0.220 260 G HA3 -0.317 3.643 3.960 0.000 0.000 0.220 260 G C 1.583 176.558 174.900 0.126 0.000 1.114 260 G CA 0.427 45.661 45.100 0.224 0.000 0.757 260 G HN 0.248 nan 8.290 nan 0.000 0.559 261 R N -0.494 120.066 120.500 0.100 0.000 2.189 261 R HA 0.075 4.415 4.340 0.000 0.000 0.223 261 R C 2.002 178.321 176.300 0.031 0.000 1.092 261 R CA 0.458 56.589 56.100 0.051 0.000 0.989 261 R CB -0.237 30.091 30.300 0.046 0.000 0.876 261 R HN 0.342 nan 8.270 nan 0.000 0.457 262 L N -0.017 121.236 121.223 0.050 0.000 2.362 262 L HA -0.047 4.293 4.340 0.000 0.000 0.219 262 L C 1.665 178.464 176.870 -0.119 0.000 1.134 262 L CA 1.397 56.226 54.840 -0.019 0.000 0.807 262 L CB 0.013 42.074 42.059 0.002 0.000 0.927 262 L HN 0.198 nan 8.230 nan 0.000 0.447 263 A N -1.444 121.326 122.820 -0.083 0.000 2.535 263 A HA 0.537 4.857 4.320 0.000 0.000 0.273 263 A C 1.542 179.091 177.584 -0.058 0.000 1.267 263 A CA 0.362 52.320 52.037 -0.132 0.000 0.940 263 A CB -0.354 18.594 19.000 -0.086 0.000 1.101 263 A HN 0.374 nan 8.150 nan 0.000 0.521 264 G N -0.283 108.496 108.800 -0.035 0.000 2.148 264 G HA2 -0.234 3.726 3.960 0.000 0.000 0.254 264 G HA3 -0.234 3.726 3.960 0.000 0.000 0.254 264 G C 0.042 174.932 174.900 -0.016 0.000 0.981 264 G CA 0.478 45.564 45.100 -0.024 0.000 0.670 264 G HN 0.533 nan 8.290 nan 0.000 0.528 265 I N 1.157 121.723 120.570 -0.006 0.000 2.312 265 I HA 0.376 4.546 4.170 0.000 0.000 0.290 265 I C 1.488 177.604 176.117 -0.001 0.000 1.008 265 I CA -0.456 60.834 61.300 -0.016 0.000 1.226 265 I CB 1.541 39.519 38.000 -0.037 0.000 1.371 265 I HN 0.093 nan 8.210 nan 0.000 0.468 266 V N 1.643 121.554 119.914 -0.005 0.000 3.612 266 V HA 0.155 4.275 4.120 0.000 0.000 0.268 266 V C 0.834 176.930 176.094 0.005 0.000 1.365 266 V CA -0.113 62.191 62.300 0.007 0.000 1.044 266 V CB -0.185 31.642 31.823 0.007 0.000 0.820 266 V HN 0.788 nan 8.190 nan 0.000 0.444 267 Q N 2.575 122.371 119.800 -0.008 0.000 2.255 267 Q HA 0.213 4.553 4.340 0.000 0.000 0.280 267 Q C -2.327 173.674 176.000 0.002 0.000 1.068 267 Q CA -1.503 54.296 55.803 -0.007 0.000 0.911 267 Q CB 0.810 29.535 28.738 -0.022 0.000 1.157 267 Q HN 0.355 nan 8.270 nan 0.000 0.380 268 P HA -0.090 nan 4.420 nan 0.000 0.268 268 P C -0.606 176.712 177.300 0.031 0.000 1.208 268 P CA -0.133 62.983 63.100 0.027 0.000 0.777 268 P CB 0.449 32.166 31.700 0.028 0.000 0.875 269 N N 2.458 121.185 118.700 0.045 0.000 2.454 269 N HA -0.072 4.668 4.740 0.000 0.000 0.260 269 N C 0.363 175.914 175.510 0.070 0.000 1.218 269 N CA 0.236 53.324 53.050 0.064 0.000 0.904 269 N CB 0.396 38.927 38.487 0.073 0.000 1.065 269 N HN 0.370 nan 8.380 nan 0.000 0.462 270 D N 2.144 122.607 120.400 0.106 0.000 2.339 270 D HA 0.113 4.754 4.640 0.000 0.000 0.217 270 D C 1.158 177.510 176.300 0.087 0.000 1.050 270 D CA 0.340 54.402 54.000 0.103 0.000 0.856 270 D CB -0.446 40.440 40.800 0.143 0.000 0.922 270 D HN 0.701 nan 8.370 nan 0.000 0.518 271 G N -0.137 108.710 108.800 0.079 0.000 2.180 271 G HA2 -0.301 3.659 3.960 0.000 0.000 0.263 271 G HA3 -0.301 3.659 3.960 0.000 0.000 0.263 271 G C 0.100 175.012 174.900 0.019 0.000 0.989 271 G CA 0.408 45.527 45.100 0.032 0.000 0.692 271 G HN 0.403 nan 8.290 nan 0.000 0.526 272 Q N -0.991 118.840 119.800 0.052 0.000 2.241 272 Q HA 0.549 4.889 4.340 0.000 0.000 0.262 272 Q C 0.519 176.437 176.000 -0.136 0.000 1.014 272 Q CA -0.828 54.937 55.803 -0.063 0.000 0.885 272 Q CB 1.434 30.098 28.738 -0.123 0.000 1.311 272 Q HN 0.398 nan 8.270 nan 0.000 0.461 273 c N 2.173 120.652 118.600 -0.200 0.000 2.585 273 c HA 0.223 4.793 4.570 0.000 0.000 0.406 273 c C 0.336 174.254 174.090 -0.286 0.000 1.312 273 c CA 0.061 56.309 56.329 -0.135 0.000 1.924 273 c CB -0.822 41.639 42.510 -0.082 0.000 2.578 273 c HN 0.657 nan 8.230 nan 0.000 0.580 274 H N 3.805 123.001 119.070 0.209 0.000 2.651 274 H HA 0.242 4.798 4.556 0.000 0.000 0.241 274 H C -0.677 174.821 175.328 0.284 0.000 1.225 274 H CA -0.017 56.176 56.048 0.241 0.000 0.942 274 H CB 0.465 30.400 29.762 0.288 0.000 1.996 274 H HN 0.433 nan 8.280 nan 0.000 0.600 275 V N 1.358 121.443 119.914 0.285 0.000 2.313 275 V HA 0.433 4.553 4.120 0.000 0.000 0.278 275 V C 0.935 177.118 176.094 0.148 0.000 1.017 275 V CA -0.486 61.964 62.300 0.251 0.000 0.823 275 V CB 1.298 33.262 31.823 0.235 0.000 1.010 275 V HN 0.495 nan 8.190 nan 0.000 0.443 276 G N 2.938 111.825 108.800 0.144 0.000 2.773 276 G HA2 0.319 4.279 3.960 0.000 0.000 0.186 276 G HA3 0.319 4.279 3.960 0.000 0.000 0.186 276 G C 1.202 176.156 174.900 0.091 0.000 1.411 276 G CA 0.437 45.596 45.100 0.098 0.000 1.054 276 G HN 0.721 nan 8.290 nan 0.000 0.579 277 S N -0.240 115.504 115.700 0.073 0.000 2.453 277 S HA -0.111 4.359 4.470 0.000 0.000 0.231 277 S C 1.510 176.156 174.600 0.076 0.000 1.005 277 S CA 1.678 59.917 58.200 0.065 0.000 0.949 277 S CB -0.178 63.049 63.200 0.046 0.000 0.774 277 S HN 0.605 nan 8.310 nan 0.000 0.510 278 D N 1.000 121.455 120.400 0.090 0.000 2.349 278 D HA 0.009 4.649 4.640 0.000 0.000 0.224 278 D C 0.364 176.782 176.300 0.197 0.000 1.029 278 D CA 0.151 54.217 54.000 0.111 0.000 0.879 278 D CB -0.880 39.964 40.800 0.073 0.000 0.906 278 D HN 0.249 nan 8.370 nan 0.000 0.528 279 N N -0.226 118.570 118.700 0.160 0.000 2.828 279 N HA -0.186 4.554 4.740 0.000 0.000 0.248 279 N C -0.833 174.700 175.510 0.038 0.000 1.044 279 N CA 0.759 53.880 53.050 0.118 0.000 0.851 279 N CB -1.676 36.851 38.487 0.067 0.000 1.136 279 N HN 0.602 nan 8.380 nan 0.000 0.572 280 H N -0.647 118.453 119.070 0.051 0.000 2.502 280 H HA 0.164 4.720 4.556 0.000 0.000 0.338 280 H C -0.274 175.191 175.328 0.228 0.000 1.155 280 H CA -0.565 55.539 56.048 0.092 0.000 1.237 280 H CB 0.977 30.794 29.762 0.091 0.000 1.534 280 H HN 0.020 nan 8.280 nan 0.000 0.523 281 Y N 2.777 123.236 120.300 0.265 0.000 2.624 281 Y HA -0.055 4.495 4.550 0.000 0.000 0.354 281 Y C 1.219 177.254 175.900 0.225 0.000 1.051 281 Y CA -0.915 57.363 58.100 0.296 0.000 1.377 281 Y CB 0.208 38.904 38.460 0.394 0.000 1.168 281 Y HN 0.549 nan 8.280 nan 0.000 0.525 282 S N 3.259 119.012 115.700 0.089 0.000 2.522 282 S HA 0.024 4.494 4.470 0.000 0.000 0.227 282 S C 1.494 175.922 174.600 -0.288 0.000 0.986 282 S CA 0.404 58.575 58.200 -0.049 0.000 0.929 282 S CB -0.147 63.084 63.200 0.051 0.000 0.769 282 S HN 0.704 nan 8.310 nan 0.000 0.529 283 A N 0.949 123.370 122.820 -0.666 0.000 2.423 283 A HA 0.497 4.817 4.320 0.000 0.000 0.246 283 A C 1.889 178.999 177.584 -0.789 0.000 1.278 283 A CA 0.424 52.043 52.037 -0.697 0.000 0.903 283 A CB -0.631 17.912 19.000 -0.760 0.000 0.997 283 A HN 0.467 nan 8.150 nan 0.000 0.510 284 S N 0.537 115.709 115.700 -0.880 0.000 2.370 284 S HA -0.166 4.304 4.470 0.000 0.000 0.226 284 S C 2.031 176.502 174.600 -0.215 0.000 1.033 284 S CA 2.465 60.401 58.200 -0.440 0.000 1.011 284 S CB -0.329 62.815 63.200 -0.093 0.000 0.852 284 S HN 0.804 nan 8.310 nan 0.000 0.457 285 T N -1.735 112.714 114.554 -0.175 0.000 3.107 285 T HA 0.158 4.508 4.350 0.000 0.000 0.249 285 T C 1.156 175.787 174.700 -0.114 0.000 1.096 285 T CA 0.889 62.930 62.100 -0.098 0.000 1.012 285 T CB 0.066 68.904 68.868 -0.050 0.000 0.977 285 T HN 0.486 nan 8.240 nan 0.000 0.527 286 T N -1.594 112.861 114.554 -0.166 0.000 3.058 286 T HA 0.495 4.845 4.350 0.000 0.000 0.278 286 T C -0.073 174.547 174.700 -0.133 0.000 0.974 286 T CA -0.637 61.383 62.100 -0.135 0.000 0.893 286 T CB -0.044 68.742 68.868 -0.138 0.000 1.138 286 T HN 0.420 nan 8.240 nan 0.000 0.529 287 M N 1.831 121.337 119.600 -0.157 0.000 2.378 287 M HA 0.502 4.982 4.480 0.000 0.000 0.289 287 M C -1.802 174.427 176.300 -0.117 0.000 1.136 287 M CA -0.602 54.630 55.300 -0.113 0.000 0.917 287 M CB 2.196 34.723 32.600 -0.120 0.000 1.669 287 M HN -0.121 nan 8.290 nan 0.000 0.461 288 D N 2.254 122.609 120.400 -0.075 0.000 2.362 288 D HA 0.108 4.748 4.640 0.000 0.000 0.238 288 D C -0.980 175.271 176.300 -0.081 0.000 1.212 288 D CA 0.610 54.556 54.000 -0.090 0.000 0.902 288 D CB 0.499 41.314 40.800 0.026 0.000 1.180 288 D HN 0.439 nan 8.370 nan 0.000 0.445 289 Y N 0.917 121.254 120.300 0.061 0.000 2.683 289 Y HA 0.118 4.668 4.550 0.000 0.000 0.340 289 Y C -1.293 174.651 175.900 0.073 0.000 1.245 289 Y CA -1.035 57.112 58.100 0.078 0.000 1.485 289 Y CB -0.385 38.116 38.460 0.068 0.000 1.328 289 Y HN 0.231 nan 8.280 nan 0.000 0.603 290 P HA 0.084 nan 4.420 nan 0.000 0.278 290 P C -0.686 176.675 177.300 0.102 0.000 1.238 290 P CA -0.530 62.635 63.100 0.108 0.000 0.794 290 P CB 1.206 32.925 31.700 0.032 0.000 0.955 291 S N 2.028 117.757 115.700 0.050 0.000 2.632 291 S HA 0.211 4.681 4.470 0.000 0.000 0.267 291 S C 1.666 176.244 174.600 -0.037 0.000 1.276 291 S CA -0.745 57.474 58.200 0.032 0.000 0.998 291 S CB 0.046 63.261 63.200 0.026 0.000 0.953 291 S HN 0.355 nan 8.310 nan 0.000 0.547 292 L N 1.215 122.412 121.223 -0.045 0.000 2.043 292 L HA -0.063 4.277 4.340 0.000 0.000 0.212 292 L C 2.830 179.644 176.870 -0.094 0.000 1.075 292 L CA 1.687 56.463 54.840 -0.108 0.000 0.752 292 L CB -1.441 40.593 42.059 -0.043 0.000 0.891 292 L HN 0.978 nan 8.230 nan 0.000 0.432 293 G N 0.025 108.796 108.800 -0.049 0.000 2.402 293 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 293 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 293 G C 1.580 176.446 174.900 -0.057 0.000 1.162 293 G CA 0.562 45.636 45.100 -0.043 0.000 0.777 293 G HN 0.213 nan 8.290 nan 0.000 0.539 294 L N 0.286 121.476 121.223 -0.054 0.000 2.093 294 L HA 0.180 4.520 4.340 0.000 0.000 0.208 294 L C 2.815 179.627 176.870 -0.097 0.000 1.085 294 L CA 1.436 56.241 54.840 -0.058 0.000 0.755 294 L CB -0.318 41.721 42.059 -0.034 0.000 0.904 294 L HN 0.229 nan 8.230 nan 0.000 0.435 295 M N -1.549 117.967 119.600 -0.141 0.000 2.086 295 M HA -0.189 4.291 4.480 0.000 0.000 0.261 295 M C 2.049 178.237 176.300 -0.187 0.000 1.067 295 M CA 2.228 57.403 55.300 -0.208 0.000 1.116 295 M CB -0.765 31.629 32.600 -0.344 0.000 1.348 295 M HN 0.200 nan 8.290 nan 0.000 0.407 296 T N 0.104 114.563 114.554 -0.158 0.000 2.635 296 T HA -0.236 4.114 4.350 0.000 0.000 0.267 296 T C 1.650 176.285 174.700 -0.107 0.000 1.040 296 T CA 1.878 63.901 62.100 -0.127 0.000 1.156 296 T CB -0.412 68.401 68.868 -0.091 0.000 0.863 296 T HN 0.518 nan 8.240 nan 0.000 0.430 297 E N 0.641 120.788 120.200 -0.089 0.000 2.085 297 E HA -0.232 4.119 4.350 0.000 0.000 0.194 297 E C 2.037 178.585 176.600 -0.087 0.000 0.994 297 E CA 1.081 57.436 56.400 -0.074 0.000 0.801 297 E CB 0.066 29.732 29.700 -0.057 0.000 0.743 297 E HN 0.221 nan 8.360 nan 0.000 0.453 298 K N 0.441 120.779 120.400 -0.103 0.000 2.062 298 K HA -0.054 4.266 4.320 0.000 0.000 0.205 298 K C 2.373 178.886 176.600 -0.145 0.000 1.051 298 K CA 0.603 56.822 56.287 -0.114 0.000 0.941 298 K CB -0.458 31.972 32.500 -0.116 0.000 0.719 298 K HN 0.274 nan 8.250 nan 0.000 0.440 299 L N 1.047 122.171 121.223 -0.165 0.000 2.042 299 L HA -0.194 4.146 4.340 0.000 0.000 0.210 299 L C 2.714 179.488 176.870 -0.160 0.000 1.076 299 L CA 1.404 56.129 54.840 -0.191 0.000 0.749 299 L CB -0.537 41.401 42.059 -0.202 0.000 0.893 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 S N -0.679 114.948 115.700 -0.122 0.000 2.357 300 S HA -0.259 4.211 4.470 0.000 0.000 0.221 300 S C 2.020 176.572 174.600 -0.081 0.000 1.031 300 S CA 1.503 59.648 58.200 -0.091 0.000 0.982 300 S CB -0.161 62.995 63.200 -0.072 0.000 0.853 300 S HN 0.503 nan 8.310 nan 0.000 0.458 301 Q N -0.136 119.613 119.800 -0.085 0.000 2.124 301 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 301 Q C 1.204 177.151 176.000 -0.088 0.000 0.977 301 Q CA 1.123 56.883 55.803 -0.072 0.000 0.850 301 Q CB -0.026 28.672 28.738 -0.067 0.000 0.901 301 Q HN 0.301 nan 8.270 nan 0.000 0.429 302 K N 0.501 120.817 120.400 -0.140 0.000 2.374 302 K HA 0.054 4.374 4.320 0.000 0.000 0.196 302 K C 0.216 176.685 176.600 -0.218 0.000 1.023 302 K CA -0.023 56.142 56.287 -0.205 0.000 1.103 302 K CB 0.216 32.541 32.500 -0.293 0.000 0.848 302 K HN 0.238 nan 8.250 nan 0.000 0.528 303 N N 1.420 120.039 118.700 -0.135 0.000 2.756 303 N HA -0.166 4.574 4.740 0.000 0.000 0.248 303 N C -1.066 174.395 175.510 -0.082 0.000 1.062 303 N CA 0.417 53.431 53.050 -0.060 0.000 0.696 303 N CB -0.803 37.711 38.487 0.045 0.000 0.946 303 N HN 0.107 nan 8.380 nan 0.000 0.548 304 I N 1.142 121.568 120.570 -0.239 0.000 2.353 304 I HA 0.191 4.361 4.170 0.000 0.000 0.293 304 I C 0.489 176.490 176.117 -0.194 0.000 0.992 304 I CA -0.463 60.635 61.300 -0.337 0.000 1.268 304 I CB 1.121 38.835 38.000 -0.477 0.000 1.387 304 I HN 0.049 nan 8.210 nan 0.000 0.478 305 N N 5.480 124.103 118.700 -0.129 0.000 2.420 305 N HA 0.329 5.069 4.740 0.000 0.000 0.249 305 N C -0.493 174.960 175.510 -0.095 0.000 1.033 305 N CA -0.470 52.527 53.050 -0.087 0.000 0.944 305 N CB 1.075 39.548 38.487 -0.023 0.000 1.113 305 N HN 0.398 nan 8.380 nan 0.000 0.502 306 L N 3.675 124.793 121.223 -0.175 0.000 2.305 306 L HA 0.515 4.855 4.340 0.000 0.000 0.281 306 L C -0.986 175.723 176.870 -0.268 0.000 1.085 306 L CA -0.125 54.562 54.840 -0.254 0.000 0.813 306 L CB 0.424 42.218 42.059 -0.442 0.000 1.157 306 L HN 0.488 nan 8.230 nan 0.000 0.436 307 I N 5.782 126.250 120.570 -0.169 0.000 2.382 307 I HA 0.251 4.421 4.170 0.000 0.000 0.285 307 I C -0.952 175.163 176.117 -0.003 0.000 1.007 307 I CA -0.268 60.992 61.300 -0.068 0.000 1.142 307 I CB 0.920 38.947 38.000 0.045 0.000 1.289 307 I HN 0.402 nan 8.210 nan 0.000 0.453 308 F N 5.608 125.626 119.950 0.114 0.000 2.439 308 F HA 0.413 4.940 4.527 0.000 0.000 0.356 308 F C 0.830 176.672 175.800 0.071 0.000 1.161 308 F CA -0.744 57.333 58.000 0.128 0.000 1.151 308 F CB 0.660 39.749 39.000 0.148 0.000 1.222 308 F HN 0.427 nan 8.300 nan 0.000 0.558 309 A N 4.827 127.778 122.820 0.218 0.000 2.444 309 A HA 0.685 5.005 4.320 0.000 0.000 0.332 309 A C -0.521 177.082 177.584 0.031 0.000 1.430 309 A CA -0.468 51.632 52.037 0.104 0.000 0.975 309 A CB -0.039 18.995 19.000 0.057 0.000 1.147 309 A HN 0.626 nan 8.150 nan 0.000 0.524 310 V N 0.307 120.237 119.914 0.026 0.000 3.040 310 V HA 0.884 5.005 4.120 0.000 0.000 0.312 310 V C 0.127 176.240 176.094 0.032 0.000 1.115 310 V CA -0.301 61.980 62.300 -0.031 0.000 0.998 310 V CB 1.254 32.991 31.823 -0.143 0.000 1.042 310 V HN 0.882 nan 8.190 nan 0.000 0.433 311 T N -0.824 113.751 114.554 0.034 0.000 2.828 311 T HA 0.308 4.658 4.350 0.000 0.000 0.290 311 T C 1.014 175.751 174.700 0.063 0.000 1.019 311 T CA 0.416 62.545 62.100 0.047 0.000 1.031 311 T CB 1.013 69.905 68.868 0.040 0.000 1.001 311 T HN 1.128 nan 8.240 nan 0.000 0.531 312 E N 1.468 121.700 120.200 0.054 0.000 2.153 312 E HA -0.268 4.082 4.350 0.000 0.000 0.194 312 E C 1.633 178.263 176.600 0.050 0.000 0.988 312 E CA 1.334 57.766 56.400 0.052 0.000 0.811 312 E CB -0.391 29.333 29.700 0.041 0.000 0.746 312 E HN 0.758 nan 8.360 nan 0.000 0.466 313 N N 1.769 120.498 118.700 0.047 0.000 2.364 313 N HA -0.133 4.607 4.740 0.000 0.000 0.183 313 N C 1.697 177.236 175.510 0.048 0.000 1.022 313 N CA 1.810 54.884 53.050 0.040 0.000 0.883 313 N CB 0.083 38.591 38.487 0.035 0.000 0.965 313 N HN 0.384 nan 8.380 nan 0.000 0.438 314 V N -3.913 116.055 119.914 0.090 0.000 3.253 314 V HA 0.293 4.413 4.120 0.000 0.000 0.320 314 V C 1.844 178.049 176.094 0.185 0.000 1.442 314 V CA -0.402 61.977 62.300 0.132 0.000 1.097 314 V CB -0.044 31.937 31.823 0.264 0.000 1.008 314 V HN -0.094 nan 8.190 nan 0.000 0.463 315 V N 2.022 122.013 119.914 0.129 0.000 2.332 315 V HA -0.211 3.909 4.120 0.000 0.000 0.248 315 V C 2.627 178.772 176.094 0.084 0.000 1.055 315 V CA 2.841 65.220 62.300 0.132 0.000 1.038 315 V CB -0.683 31.196 31.823 0.092 0.000 0.651 315 V HN 0.651 nan 8.190 nan 0.000 0.450 316 N N -0.078 118.635 118.700 0.020 0.000 2.188 316 N HA -0.134 4.606 4.740 0.000 0.000 0.184 316 N C 1.665 177.105 175.510 -0.116 0.000 1.018 316 N CA 1.321 54.352 53.050 -0.031 0.000 0.858 316 N CB -0.575 37.886 38.487 -0.044 0.000 0.989 316 N HN 0.403 nan 8.380 nan 0.000 0.426 317 L N 0.417 121.533 121.223 -0.179 0.000 1.971 317 L HA -0.198 4.142 4.340 0.000 0.000 0.215 317 L C 1.832 178.366 176.870 -0.560 0.000 1.072 317 L CA 1.762 56.339 54.840 -0.439 0.000 0.758 317 L CB -0.948 40.828 42.059 -0.471 0.000 0.889 317 L HN 0.101 nan 8.230 nan 0.000 0.433 318 Y N -0.862 119.322 120.300 -0.193 0.000 2.314 318 Y HA -0.188 4.362 4.550 0.000 0.000 0.293 318 Y C 2.731 178.608 175.900 -0.040 0.000 1.129 318 Y CA 1.380 59.361 58.100 -0.199 0.000 1.201 318 Y CB -0.507 37.776 38.460 -0.295 0.000 0.999 318 Y HN 0.377 nan 8.280 nan 0.000 0.541 319 Q N 0.942 120.811 119.800 0.115 0.000 2.135 319 Q HA -0.186 4.154 4.340 0.000 0.000 0.204 319 Q C 1.470 177.503 176.000 0.055 0.000 0.981 319 Q CA 2.042 57.915 55.803 0.116 0.000 0.856 319 Q CB -0.357 28.427 28.738 0.076 0.000 0.902 319 Q HN 0.317 nan 8.270 nan 0.000 0.425 320 N N -1.063 117.591 118.700 -0.076 0.000 2.270 320 N HA -0.098 4.642 4.740 0.000 0.000 0.181 320 N C 1.260 176.746 175.510 -0.040 0.000 1.016 320 N CA 1.009 53.995 53.050 -0.108 0.000 0.870 320 N CB -0.361 37.991 38.487 -0.224 0.000 0.979 320 N HN 0.313 nan 8.380 nan 0.000 0.431 321 Y N 1.162 121.458 120.300 -0.006 0.000 2.181 321 Y HA -0.060 4.490 4.550 0.000 0.000 0.288 321 Y C 2.741 178.747 175.900 0.177 0.000 1.146 321 Y CA 0.501 58.637 58.100 0.060 0.000 1.164 321 Y CB -0.963 37.512 38.460 0.025 0.000 0.982 321 Y HN 0.030 nan 8.280 nan 0.000 0.515 322 S N -0.075 115.879 115.700 0.424 0.000 2.400 322 S HA -0.233 4.237 4.470 0.000 0.000 0.232 322 S C 1.832 176.543 174.600 0.184 0.000 1.025 322 S CA 1.676 60.092 58.200 0.360 0.000 0.993 322 S CB -0.242 63.171 63.200 0.355 0.000 0.808 322 S HN 0.587 nan 8.310 nan 0.000 0.478 323 E N 0.018 120.301 120.200 0.139 0.000 2.274 323 E HA 0.017 4.367 4.350 0.000 0.000 0.194 323 E C 1.573 178.216 176.600 0.073 0.000 0.996 323 E CA 0.862 57.312 56.400 0.082 0.000 0.840 323 E CB -0.054 29.678 29.700 0.053 0.000 0.772 323 E HN 0.526 nan 8.360 nan 0.000 0.491 324 L N 0.331 121.615 121.223 0.103 0.000 2.607 324 L HA 0.198 4.538 4.340 0.000 0.000 0.228 324 L C 0.516 177.419 176.870 0.056 0.000 1.123 324 L CA 0.065 54.953 54.840 0.080 0.000 0.890 324 L CB 0.459 42.585 42.059 0.111 0.000 1.103 324 L HN 0.017 nan 8.230 nan 0.000 0.468 325 I N 0.990 121.599 120.570 0.065 0.000 2.621 325 I HA 0.271 4.441 4.170 0.000 0.000 0.276 325 I C -2.364 173.749 176.117 -0.007 0.000 1.118 325 I CA -1.768 59.536 61.300 0.006 0.000 1.159 325 I CB 0.991 38.983 38.000 -0.014 0.000 1.357 325 I HN -0.206 nan 8.210 nan 0.000 0.513 326 P HA 0.133 nan 4.420 nan 0.000 0.268 326 P C 1.010 178.291 177.300 -0.032 0.000 1.205 326 P CA 0.677 63.768 63.100 -0.015 0.000 0.771 326 P CB 0.806 32.494 31.700 -0.020 0.000 0.858 327 G N 1.090 109.876 108.800 -0.023 0.000 2.194 327 G HA2 -0.203 3.757 3.960 0.000 0.000 0.236 327 G HA3 -0.203 3.757 3.960 0.000 0.000 0.236 327 G C 0.394 175.265 174.900 -0.048 0.000 0.987 327 G CA 0.026 45.105 45.100 -0.034 0.000 0.635 327 G HN 0.609 nan 8.290 nan 0.000 0.520 328 T N 1.577 116.100 114.554 -0.051 0.000 2.904 328 T HA 0.582 4.932 4.350 0.000 0.000 0.290 328 T C 0.272 174.964 174.700 -0.014 0.000 1.018 328 T CA 0.932 62.974 62.100 -0.096 0.000 1.075 328 T CB 1.418 70.204 68.868 -0.136 0.000 0.986 328 T HN 0.260 nan 8.240 nan 0.000 0.523 329 T N 1.717 116.257 114.554 -0.022 0.000 2.893 329 T HA 0.607 4.957 4.350 0.000 0.000 0.291 329 T C -0.801 173.979 174.700 0.134 0.000 1.028 329 T CA -0.575 61.559 62.100 0.056 0.000 0.995 329 T CB 1.529 70.420 68.868 0.039 0.000 1.051 329 T HN 0.323 nan 8.240 nan 0.000 0.470 330 V N 1.498 121.517 119.914 0.175 0.000 2.604 330 V HA 0.891 5.011 4.120 0.000 0.000 0.305 330 V C 0.378 176.566 176.094 0.157 0.000 1.043 330 V CA -0.608 61.831 62.300 0.231 0.000 0.888 330 V CB 1.930 33.907 31.823 0.257 0.000 0.995 330 V HN 1.094 nan 8.190 nan 0.000 0.429 331 G N 2.104 110.996 108.800 0.152 0.000 2.563 331 G HA2 0.612 4.572 3.960 0.000 0.000 0.302 331 G HA3 0.612 4.572 3.960 0.000 0.000 0.302 331 G C -1.368 173.595 174.900 0.105 0.000 1.301 331 G CA -0.633 44.535 45.100 0.114 0.000 0.965 331 G HN 0.518 nan 8.290 nan 0.000 0.480 332 V N 1.950 121.916 119.914 0.085 0.000 2.368 332 V HA 0.260 4.380 4.120 0.000 0.000 0.266 332 V C 0.121 176.255 176.094 0.067 0.000 1.045 332 V CA -0.522 61.823 62.300 0.074 0.000 0.899 332 V CB 0.779 32.641 31.823 0.065 0.000 1.006 332 V HN 0.607 nan 8.190 nan 0.000 0.470 333 L N 6.219 127.479 121.223 0.062 0.000 2.305 333 L HA 0.468 4.808 4.340 0.000 0.000 0.281 333 L C 0.886 177.787 176.870 0.052 0.000 1.085 333 L CA 0.659 55.533 54.840 0.057 0.000 0.813 333 L CB 1.537 43.622 42.059 0.043 0.000 1.157 333 L HN 0.818 nan 8.230 nan 0.000 0.436 334 S N 4.841 120.573 115.700 0.055 0.000 2.600 334 S HA 0.140 4.610 4.470 0.000 0.000 0.265 334 S C 1.153 175.780 174.600 0.046 0.000 1.325 334 S CA -0.651 57.579 58.200 0.049 0.000 1.002 334 S CB 0.638 63.867 63.200 0.049 0.000 0.921 334 S HN 0.689 nan 8.310 nan 0.000 0.554 335 M N 1.395 121.019 119.600 0.040 0.000 2.549 335 M HA -0.019 4.461 4.480 0.000 0.000 0.260 335 M C 0.552 176.875 176.300 0.038 0.000 1.076 335 M CA 1.065 56.386 55.300 0.035 0.000 1.090 335 M CB -1.576 31.042 32.600 0.031 0.000 1.418 335 M HN 0.917 nan 8.290 nan 0.000 0.486 336 D N -2.373 118.057 120.400 0.049 0.000 2.535 336 D HA 0.160 4.800 4.640 0.000 0.000 0.229 336 D C 0.213 176.559 176.300 0.077 0.000 1.238 336 D CA -0.033 54.004 54.000 0.062 0.000 0.824 336 D CB -0.063 40.779 40.800 0.070 0.000 1.045 336 D HN 0.035 nan 8.370 nan 0.000 0.500 337 S N -0.789 114.957 115.700 0.076 0.000 3.380 337 S HA -0.269 4.201 4.470 0.000 0.000 0.300 337 S C 1.476 176.130 174.600 0.090 0.000 1.255 337 S CA 0.965 59.225 58.200 0.100 0.000 0.963 337 S CB -2.137 61.148 63.200 0.141 0.000 1.106 337 S HN 0.643 nan 8.310 nan 0.000 0.629 338 S N 1.734 117.476 115.700 0.071 0.000 2.447 338 S HA -0.143 4.327 4.470 0.000 0.000 0.233 338 S C 1.301 175.932 174.600 0.052 0.000 1.006 338 S CA 1.020 59.254 58.200 0.056 0.000 0.957 338 S CB -0.360 62.871 63.200 0.052 0.000 0.773 338 S HN 0.869 nan 8.310 nan 0.000 0.507 339 N N 0.843 119.579 118.700 0.061 0.000 2.214 339 N HA 0.126 4.866 4.740 0.000 0.000 0.214 339 N C 1.066 176.620 175.510 0.074 0.000 1.132 339 N CA 0.085 53.170 53.050 0.058 0.000 0.856 339 N CB 0.008 38.528 38.487 0.054 0.000 1.020 339 N HN 0.291 nan 8.380 nan 0.000 0.509 340 V N 0.559 120.532 119.914 0.097 0.000 2.626 340 V HA -0.126 3.994 4.120 0.000 0.000 0.252 340 V C 2.111 178.279 176.094 0.124 0.000 1.067 340 V CA 1.021 63.404 62.300 0.138 0.000 1.081 340 V CB -0.445 31.519 31.823 0.235 0.000 0.686 340 V HN 0.340 nan 8.190 nan 0.000 0.468 341 L N 0.380 121.650 121.223 0.080 0.000 1.994 341 L HA -0.175 4.165 4.340 0.000 0.000 0.208 341 L C 2.389 179.290 176.870 0.052 0.000 1.071 341 L CA 2.717 57.586 54.840 0.048 0.000 0.745 341 L CB -1.147 40.917 42.059 0.008 0.000 0.892 341 L HN 0.407 nan 8.230 nan 0.000 0.431 342 Q N -0.360 119.471 119.800 0.051 0.000 2.124 342 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 342 Q C 2.285 178.326 176.000 0.069 0.000 0.977 342 Q CA 2.146 57.980 55.803 0.053 0.000 0.850 342 Q CB -0.638 28.128 28.738 0.046 0.000 0.901 342 Q HN 0.663 nan 8.270 nan 0.000 0.429 343 L N -0.586 120.683 121.223 0.078 0.000 2.042 343 L HA -0.164 4.176 4.340 0.000 0.000 0.210 343 L C 2.004 178.933 176.870 0.100 0.000 1.076 343 L CA 1.292 56.185 54.840 0.087 0.000 0.749 343 L CB -0.174 41.940 42.059 0.092 0.000 0.893 343 L HN 0.317 nan 8.230 nan 0.000 0.432 344 I N -1.321 119.313 120.570 0.106 0.000 2.315 344 I HA -0.254 3.916 4.170 0.000 0.000 0.248 344 I C 2.341 178.532 176.117 0.122 0.000 1.117 344 I CA 0.869 62.239 61.300 0.116 0.000 1.404 344 I CB -0.151 37.918 38.000 0.115 0.000 1.071 344 I HN 0.083 nan 8.210 nan 0.000 0.419 345 V N 0.755 120.729 119.914 0.101 0.000 2.358 345 V HA -0.265 3.855 4.120 0.000 0.000 0.246 345 V C 1.921 178.103 176.094 0.147 0.000 1.047 345 V CA 1.907 64.279 62.300 0.119 0.000 1.035 345 V CB -0.599 31.271 31.823 0.079 0.000 0.658 345 V HN 0.389 nan 8.190 nan 0.000 0.452 346 D N 0.352 120.817 120.400 0.109 0.000 2.183 346 D HA -0.044 4.596 4.640 0.000 0.000 0.203 346 D C 2.178 178.535 176.300 0.096 0.000 0.969 346 D CA 1.394 55.448 54.000 0.091 0.000 0.842 346 D CB -0.252 40.591 40.800 0.072 0.000 0.957 346 D HN 0.435 nan 8.370 nan 0.000 0.484 347 A N 0.208 123.098 122.820 0.116 0.000 1.898 347 A HA -0.207 4.113 4.320 0.000 0.000 0.216 347 A C 2.152 179.817 177.584 0.134 0.000 1.181 347 A CA 1.011 53.114 52.037 0.111 0.000 0.620 347 A CB -0.959 18.111 19.000 0.116 0.000 0.819 347 A HN 0.274 nan 8.150 nan 0.000 0.442 348 Y N 1.026 121.352 120.300 0.043 0.000 2.128 348 Y HA -0.110 4.440 4.550 0.000 0.000 0.284 348 Y C 2.473 178.392 175.900 0.032 0.000 1.154 348 Y CA 1.416 59.539 58.100 0.039 0.000 1.149 348 Y CB -0.939 37.546 38.460 0.041 0.000 0.976 348 Y HN 0.226 nan 8.280 nan 0.000 0.505 349 G N -0.012 108.784 108.800 -0.006 0.000 2.491 349 G HA2 -0.386 3.574 3.960 0.000 0.000 0.218 349 G HA3 -0.386 3.574 3.960 0.000 0.000 0.218 349 G C 1.785 176.624 174.900 -0.101 0.000 1.180 349 G CA 1.221 46.266 45.100 -0.091 0.000 0.774 349 G HN 0.432 nan 8.290 nan 0.000 0.562 350 K N -0.090 120.289 120.400 -0.035 0.000 2.097 350 K HA 0.044 4.364 4.320 0.000 0.000 0.206 350 K C 2.505 179.079 176.600 -0.045 0.000 1.049 350 K CA 0.905 57.179 56.287 -0.022 0.000 0.933 350 K CB -0.246 32.261 32.500 0.012 0.000 0.717 350 K HN 0.378 nan 8.250 nan 0.000 0.442 351 I N 0.758 121.289 120.570 -0.064 0.000 2.361 351 I HA -0.233 3.937 4.170 0.000 0.000 0.251 351 I C 1.580 177.634 176.117 -0.106 0.000 1.133 351 I CA 1.190 62.450 61.300 -0.067 0.000 1.413 351 I CB 0.011 37.984 38.000 -0.044 0.000 1.073 351 I HN 0.093 nan 8.210 nan 0.000 0.424 352 R N -0.045 120.333 120.500 -0.203 0.000 2.515 352 R HA 0.112 4.452 4.340 0.000 0.000 0.294 352 R C 1.372 177.616 176.300 -0.092 0.000 1.021 352 R CA 0.375 56.365 56.100 -0.183 0.000 1.081 352 R CB 0.095 30.183 30.300 -0.355 0.000 1.263 352 R HN 0.297 nan 8.270 nan 0.000 0.557 353 S N -0.355 115.310 115.700 -0.060 0.000 2.572 353 S HA 0.210 4.680 4.470 0.000 0.000 0.228 353 S C 0.293 174.893 174.600 0.001 0.000 0.963 353 S CA -0.340 57.843 58.200 -0.027 0.000 0.939 353 S CB 0.288 63.472 63.200 -0.027 0.000 0.804 353 S HN 0.057 nan 8.310 nan 0.000 0.480 354 K N 0.540 120.951 120.400 0.019 0.000 2.469 354 K HA 0.678 4.998 4.320 0.000 0.000 0.254 354 K C -1.796 174.837 176.600 0.055 0.000 0.939 354 K CA -0.797 55.508 56.287 0.029 0.000 0.812 354 K CB 2.665 35.174 32.500 0.015 0.000 1.301 354 K HN 0.014 nan 8.250 nan 0.000 0.433 355 V N 1.897 121.830 119.914 0.031 0.000 2.482 355 V HA 0.298 4.418 4.120 0.000 0.000 0.295 355 V C -0.946 175.115 176.094 -0.055 0.000 1.026 355 V CA -0.635 61.644 62.300 -0.034 0.000 0.856 355 V CB 1.607 33.439 31.823 0.015 0.000 1.001 355 V HN 0.790 nan 8.190 nan 0.000 0.424 356 E N 5.051 125.152 120.200 -0.166 0.000 2.244 356 E HA 0.496 4.846 4.350 0.000 0.000 0.260 356 E C -1.271 175.142 176.600 -0.311 0.000 0.884 356 E CA -0.650 55.628 56.400 -0.203 0.000 0.777 356 E CB 1.537 31.157 29.700 -0.133 0.000 1.197 356 E HN 0.614 nan 8.360 nan 0.000 0.416 357 L N 3.380 124.325 121.223 -0.464 0.000 2.416 357 L HA 0.320 4.660 4.340 0.000 0.000 0.272 357 L C 0.329 176.998 176.870 -0.335 0.000 1.161 357 L CA 0.286 54.850 54.840 -0.460 0.000 0.845 357 L CB 0.810 42.478 42.059 -0.651 0.000 1.119 357 L HN 0.632 nan 8.230 nan 0.000 0.464 358 E N 1.482 121.556 120.200 -0.210 0.000 2.238 358 E HA 0.525 4.875 4.350 0.000 0.000 0.267 358 E C -1.521 175.049 176.600 -0.049 0.000 0.887 358 E CA -0.700 55.620 56.400 -0.134 0.000 0.769 358 E CB 2.528 32.174 29.700 -0.090 0.000 1.187 358 E HN 0.271 nan 8.360 nan 0.000 0.416 359 V N 3.933 123.838 119.914 -0.015 0.000 2.417 359 V HA 0.516 4.636 4.120 0.000 0.000 0.291 359 V C -0.281 175.845 176.094 0.053 0.000 1.024 359 V CA -0.686 61.655 62.300 0.069 0.000 0.861 359 V CB 1.451 33.325 31.823 0.085 0.000 0.985 359 V HN 0.630 nan 8.190 nan 0.000 0.436 360 R N 2.745 123.304 120.500 0.099 0.000 2.670 360 R HA 0.562 4.902 4.340 0.000 0.000 0.289 360 R C -0.714 175.658 176.300 0.121 0.000 0.965 360 R CA -0.750 55.397 56.100 0.079 0.000 0.899 360 R CB 1.361 31.700 30.300 0.065 0.000 1.173 360 R HN 0.754 nan 8.270 nan 0.000 0.456 361 D N 0.707 121.154 120.400 0.078 0.000 2.981 361 D HA -0.163 4.477 4.640 0.000 0.000 0.223 361 D C -0.516 175.843 176.300 0.098 0.000 1.151 361 D CA 0.635 54.692 54.000 0.094 0.000 0.827 361 D CB -0.958 39.917 40.800 0.124 0.000 1.101 361 D HN 0.230 nan 8.370 nan 0.000 0.426 362 L N 1.281 122.497 121.223 -0.012 0.000 2.534 362 L HA 0.251 4.591 4.340 0.000 0.000 0.271 362 L C -1.747 175.080 176.870 -0.072 0.000 1.178 362 L CA -0.687 54.042 54.840 -0.184 0.000 0.907 362 L CB 0.080 41.988 42.059 -0.251 0.000 1.164 362 L HN -0.215 nan 8.230 nan 0.000 0.482 363 P HA -0.036 nan 4.420 nan 0.000 0.264 363 P C 0.533 177.824 177.300 -0.014 0.000 1.183 363 P CA 0.004 63.125 63.100 0.034 0.000 0.763 363 P CB 0.493 32.275 31.700 0.137 0.000 0.807 364 E N 3.662 123.853 120.200 -0.015 0.000 2.147 364 E HA -0.267 4.083 4.350 0.000 0.000 0.199 364 E C 1.067 177.644 176.600 -0.038 0.000 1.005 364 E CA 1.556 57.939 56.400 -0.029 0.000 0.810 364 E CB 0.154 29.838 29.700 -0.027 0.000 0.736 364 E HN 0.560 nan 8.360 nan 0.000 0.460 365 E N 0.185 120.359 120.200 -0.044 0.000 2.489 365 E HA 0.000 4.350 4.350 0.000 0.000 0.193 365 E C 0.747 177.330 176.600 -0.028 0.000 1.057 365 E CA -0.035 56.330 56.400 -0.059 0.000 0.866 365 E CB -0.197 29.429 29.700 -0.123 0.000 0.916 365 E HN 0.246 nan 8.360 nan 0.000 0.500 366 L N 2.265 123.483 121.223 -0.008 0.000 2.307 366 L HA 0.262 4.602 4.340 0.000 0.000 0.282 366 L C 0.059 176.896 176.870 -0.056 0.000 1.051 366 L CA -0.646 54.192 54.840 -0.004 0.000 0.804 366 L CB 1.526 43.575 42.059 -0.018 0.000 1.197 366 L HN 0.034 nan 8.230 nan 0.000 0.431 367 S N 4.004 119.679 115.700 -0.042 0.000 2.513 367 S HA 0.757 5.227 4.470 0.000 0.000 0.299 367 S C -0.825 173.737 174.600 -0.064 0.000 1.087 367 S CA -0.914 57.258 58.200 -0.047 0.000 1.012 367 S CB 1.849 65.034 63.200 -0.026 0.000 1.044 367 S HN 0.437 nan 8.310 nan 0.000 0.485 368 L N 2.462 123.646 121.223 -0.065 0.000 2.334 368 L HA 0.755 5.095 4.340 0.000 0.000 0.273 368 L C -0.041 176.748 176.870 -0.135 0.000 1.013 368 L CA -0.711 54.033 54.840 -0.159 0.000 0.816 368 L CB 2.254 44.200 42.059 -0.188 0.000 1.278 368 L HN 0.983 nan 8.230 nan 0.000 0.431 369 S N 0.688 116.201 115.700 -0.312 0.000 2.526 369 S HA 0.796 5.266 4.470 0.000 0.000 0.293 369 S C -1.077 173.290 174.600 -0.389 0.000 1.092 369 S CA -0.689 57.413 58.200 -0.164 0.000 0.980 369 S CB 1.683 64.832 63.200 -0.086 0.000 1.048 369 S HN 0.286 nan 8.310 nan 0.000 0.483 370 F N 1.161 121.085 119.950 -0.044 0.000 2.540 370 F HA 0.583 5.110 4.527 0.000 0.000 0.317 370 F C -0.090 175.722 175.800 0.020 0.000 1.104 370 F CA -0.799 57.189 58.000 -0.020 0.000 0.913 370 F CB 2.077 41.068 39.000 -0.013 0.000 1.170 370 F HN 0.500 nan 8.300 nan 0.000 0.450 371 N N 1.644 120.462 118.700 0.198 0.000 2.399 371 N HA 0.651 5.391 4.740 0.000 0.000 0.280 371 N C -1.088 174.513 175.510 0.151 0.000 1.008 371 N CA -0.609 52.519 53.050 0.130 0.000 0.894 371 N CB 2.084 40.593 38.487 0.038 0.000 1.273 371 N HN 0.698 nan 8.380 nan 0.000 0.486 372 A N 1.287 124.169 122.820 0.103 0.000 2.301 372 A HA 0.674 4.994 4.320 0.000 0.000 0.312 372 A C -0.214 177.264 177.584 -0.176 0.000 1.182 372 A CA -0.337 51.656 52.037 -0.073 0.000 0.826 372 A CB 0.449 19.458 19.000 0.016 0.000 1.134 372 A HN 0.454 nan 8.150 nan 0.000 0.501 373 T N 2.406 116.766 114.554 -0.323 0.000 2.842 373 T HA 0.381 4.731 4.350 0.000 0.000 0.308 373 T C 0.211 174.751 174.700 -0.268 0.000 1.041 373 T CA -0.417 61.547 62.100 -0.227 0.000 0.964 373 T CB 0.440 69.199 68.868 -0.181 0.000 0.972 373 T HN 0.711 nan 8.240 nan 0.000 0.460 374 c N 2.208 120.700 118.600 -0.180 0.000 3.566 374 c HA 0.361 4.931 4.570 0.000 0.000 0.156 374 c C 2.518 176.550 174.090 -0.096 0.000 2.372 374 c CA -0.312 55.925 56.329 -0.152 0.000 1.111 374 c CB -0.853 41.591 42.510 -0.110 0.000 1.685 374 c HN 0.847 nan 8.230 nan 0.000 0.631 375 L N 1.220 122.404 121.223 -0.066 0.000 1.988 375 L HA -0.057 4.283 4.340 0.000 0.000 0.207 375 L C 0.708 177.553 176.870 -0.043 0.000 1.071 375 L CA 1.664 56.477 54.840 -0.046 0.000 0.744 375 L CB -0.438 41.602 42.059 -0.033 0.000 0.893 375 L HN 0.490 nan 8.230 nan 0.000 0.433 376 N N -0.026 118.648 118.700 -0.042 0.000 2.765 376 N HA 0.108 4.848 4.740 0.000 0.000 0.277 376 N C -0.539 174.948 175.510 -0.037 0.000 1.750 376 N CA -0.241 52.789 53.050 -0.034 0.000 0.827 376 N CB -0.170 38.302 38.487 -0.025 0.000 1.200 376 N HN 0.003 nan 8.380 nan 0.000 0.494 377 N N 0.130 118.803 118.700 -0.046 0.000 2.686 377 N HA -0.272 4.468 4.740 0.000 0.000 0.249 377 N C -0.663 174.819 175.510 -0.046 0.000 1.082 377 N CA 0.928 53.950 53.050 -0.047 0.000 0.725 377 N CB -0.924 37.542 38.487 -0.034 0.000 1.009 377 N HN 0.743 nan 8.380 nan 0.000 0.545 378 E N 0.177 120.346 120.200 -0.051 0.000 2.113 378 E HA 0.376 4.726 4.350 0.000 0.000 0.273 378 E C -0.434 176.135 176.600 -0.052 0.000 0.924 378 E CA -0.677 55.697 56.400 -0.043 0.000 0.764 378 E CB 0.948 30.626 29.700 -0.036 0.000 1.104 378 E HN 0.002 nan 8.360 nan 0.000 0.406 379 V N 5.864 125.753 119.914 -0.042 0.000 2.732 379 V HA 0.257 4.377 4.120 0.000 0.000 0.297 379 V C 0.387 176.466 176.094 -0.026 0.000 1.060 379 V CA -0.152 62.124 62.300 -0.040 0.000 1.038 379 V CB 1.104 32.910 31.823 -0.030 0.000 1.003 379 V HN 0.659 nan 8.190 nan 0.000 0.481 380 I N 4.860 125.419 120.570 -0.018 0.000 2.641 380 I HA 0.301 4.471 4.170 0.000 0.000 0.275 380 I C -2.563 173.567 176.117 0.022 0.000 1.129 380 I CA -1.608 59.691 61.300 -0.001 0.000 1.094 380 I CB 1.671 39.668 38.000 -0.005 0.000 1.232 380 I HN 0.455 nan 8.210 nan 0.000 0.503 381 P HA -0.000 nan 4.420 nan 0.000 0.267 381 P C 1.045 178.375 177.300 0.050 0.000 1.195 381 P CA 0.790 63.910 63.100 0.033 0.000 0.773 381 P CB 0.539 32.249 31.700 0.018 0.000 0.837 382 G N 0.192 109.036 108.800 0.073 0.000 2.225 382 G HA2 -0.225 3.735 3.960 0.000 0.000 0.267 382 G HA3 -0.225 3.735 3.960 0.000 0.000 0.267 382 G C -0.388 174.564 174.900 0.087 0.000 1.024 382 G CA -0.028 45.124 45.100 0.085 0.000 0.784 382 G HN 0.539 nan 8.290 nan 0.000 0.507 383 L N -0.462 120.830 121.223 0.115 0.000 2.362 383 L HA 0.783 5.123 4.340 0.000 0.000 0.275 383 L C 0.508 177.466 176.870 0.146 0.000 0.998 383 L CA -0.819 54.075 54.840 0.090 0.000 0.820 383 L CB 1.627 43.733 42.059 0.079 0.000 1.270 383 L HN 0.252 nan 8.230 nan 0.000 0.415 384 K N 1.535 121.912 120.400 -0.037 0.000 2.646 384 K HA 0.499 4.819 4.320 0.000 0.000 0.206 384 K C -0.666 175.783 176.600 -0.251 0.000 1.069 384 K CA -0.194 55.920 56.287 -0.288 0.000 1.067 384 K CB 0.423 32.339 32.500 -0.974 0.000 0.807 384 K HN 0.473 nan 8.250 nan 0.000 0.482 385 S N -0.572 115.184 115.700 0.094 0.000 2.550 385 S HA 0.623 5.093 4.470 0.000 0.000 0.270 385 S C -0.810 173.902 174.600 0.187 0.000 1.145 385 S CA -0.819 57.447 58.200 0.109 0.000 0.852 385 S CB 1.413 64.593 63.200 -0.034 0.000 1.119 385 S HN 0.230 nan 8.310 nan 0.000 0.465 386 c N 2.430 121.128 118.600 0.163 0.000 2.634 386 c HA 0.821 5.391 4.570 0.000 0.000 0.313 386 c C -0.097 174.013 174.090 0.035 0.000 1.198 386 c CA -0.623 55.747 56.329 0.068 0.000 1.605 386 c CB 0.892 43.416 42.510 0.024 0.000 2.196 386 c HN 0.967 nan 8.230 nan 0.000 0.486 387 M N 0.925 120.533 119.600 0.013 0.000 2.719 387 M HA 0.618 5.098 4.480 0.000 0.000 0.291 387 M C 0.940 177.240 176.300 -0.000 0.000 1.264 387 M CA 0.090 55.394 55.300 0.007 0.000 0.811 387 M CB 1.746 34.349 32.600 0.005 0.000 1.756 387 M HN 0.974 nan 8.290 nan 0.000 0.464 388 G N 0.680 109.480 108.800 -0.001 0.000 2.148 388 G HA2 -0.187 3.773 3.960 0.000 0.000 0.254 388 G HA3 -0.187 3.773 3.960 0.000 0.000 0.254 388 G C -0.554 174.342 174.900 -0.006 0.000 0.981 388 G CA -0.309 44.789 45.100 -0.004 0.000 0.670 388 G HN 0.393 nan 8.290 nan 0.000 0.528 389 L N 0.171 121.390 121.223 -0.006 0.000 2.464 389 L HA 0.587 4.927 4.340 0.000 0.000 0.264 389 L C 0.772 177.634 176.870 -0.013 0.000 1.199 389 L CA 0.043 54.878 54.840 -0.008 0.000 0.818 389 L CB 0.578 42.637 42.059 0.001 0.000 1.102 389 L HN 0.004 nan 8.230 nan 0.000 0.473 390 K N 1.416 121.810 120.400 -0.011 0.000 2.221 390 K HA 0.505 4.825 4.320 0.000 0.000 0.243 390 K C -0.584 176.007 176.600 -0.015 0.000 0.968 390 K CA -0.822 55.457 56.287 -0.013 0.000 0.846 390 K CB 1.534 34.032 32.500 -0.004 0.000 1.141 390 K HN 0.385 nan 8.250 nan 0.000 0.434 391 I N 1.349 121.906 120.570 -0.022 0.000 2.662 391 I HA -0.043 4.127 4.170 0.000 0.000 0.285 391 I C 1.284 177.404 176.117 0.006 0.000 1.161 391 I CA 1.328 62.618 61.300 -0.016 0.000 1.415 391 I CB -0.038 37.960 38.000 -0.004 0.000 1.385 391 I HN 0.996 nan 8.210 nan 0.000 0.552 392 G N 3.996 112.801 108.800 0.009 0.000 2.231 392 G HA2 -0.184 3.776 3.960 0.000 0.000 0.206 392 G HA3 -0.184 3.776 3.960 0.000 0.000 0.206 392 G C -0.022 174.886 174.900 0.013 0.000 0.996 392 G CA -0.594 44.515 45.100 0.015 0.000 0.645 392 G HN 0.540 nan 8.290 nan 0.000 0.498 393 D N 1.123 121.529 120.400 0.010 0.000 2.357 393 D HA 0.584 5.224 4.640 0.000 0.000 0.242 393 D C 0.325 176.631 176.300 0.010 0.000 1.153 393 D CA 0.779 54.782 54.000 0.005 0.000 0.918 393 D CB 1.146 41.945 40.800 -0.002 0.000 1.181 393 D HN 0.090 nan 8.370 nan 0.000 0.435 394 T N 0.169 114.721 114.554 -0.003 0.000 2.876 394 T HA 0.562 4.912 4.350 0.000 0.000 0.289 394 T C -0.203 174.473 174.700 -0.040 0.000 1.014 394 T CA -0.730 61.367 62.100 -0.004 0.000 0.986 394 T CB 1.474 70.342 68.868 -0.001 0.000 1.021 394 T HN 0.230 nan 8.240 nan 0.000 0.458 395 V N -0.270 119.610 119.914 -0.056 0.000 3.155 395 V HA 1.021 5.141 4.120 0.000 0.000 0.313 395 V C -0.475 175.506 176.094 -0.188 0.000 1.162 395 V CA -0.867 61.336 62.300 -0.163 0.000 1.048 395 V CB 2.004 33.693 31.823 -0.224 0.000 1.092 395 V HN 0.837 nan 8.190 nan 0.000 0.447 396 S N 0.244 115.714 115.700 -0.383 0.000 2.536 396 S HA 0.853 5.323 4.470 0.000 0.000 0.271 396 S C -1.758 172.549 174.600 -0.488 0.000 1.134 396 S CA -0.406 57.640 58.200 -0.256 0.000 0.897 396 S CB 1.308 64.428 63.200 -0.133 0.000 1.094 396 S HN 0.688 nan 8.310 nan 0.000 0.473 397 F N 1.864 121.817 119.950 0.004 0.000 2.556 397 F HA 0.551 5.078 4.527 0.000 0.000 0.314 397 F C 0.413 176.194 175.800 -0.032 0.000 1.106 397 F CA -0.661 57.350 58.000 0.017 0.000 0.911 397 F CB 2.278 41.327 39.000 0.081 0.000 1.190 397 F HN 0.487 nan 8.300 nan 0.000 0.448 398 S N 4.224 119.981 115.700 0.094 0.000 2.438 398 S HA 0.768 5.238 4.470 0.000 0.000 0.293 398 S C -0.730 173.760 174.600 -0.183 0.000 1.141 398 S CA -0.344 57.825 58.200 -0.053 0.000 1.080 398 S CB 0.026 63.196 63.200 -0.051 0.000 0.978 398 S HN 0.492 nan 8.310 nan 0.000 0.479 399 I N 3.709 124.012 120.570 -0.445 0.000 2.569 399 I HA 0.502 4.672 4.170 0.000 0.000 0.296 399 I C -0.211 175.458 176.117 -0.747 0.000 1.028 399 I CA -0.633 60.194 61.300 -0.788 0.000 1.082 399 I CB 2.119 39.390 38.000 -1.214 0.000 1.264 399 I HN 0.606 nan 8.210 nan 0.000 0.429 400 E N 4.655 124.525 120.200 -0.551 0.000 2.224 400 E HA 0.703 5.053 4.350 0.000 0.000 0.265 400 E C -1.441 175.044 176.600 -0.192 0.000 0.878 400 E CA -0.756 55.465 56.400 -0.297 0.000 0.759 400 E CB 1.883 31.478 29.700 -0.175 0.000 1.164 400 E HN 0.735 nan 8.360 nan 0.000 0.414 401 A N 4.767 127.585 122.820 -0.004 0.000 2.301 401 A HA 0.510 4.830 4.320 0.000 0.000 0.312 401 A C -0.564 177.051 177.584 0.051 0.000 1.182 401 A CA -0.600 51.481 52.037 0.073 0.000 0.826 401 A CB 0.998 20.147 19.000 0.248 0.000 1.134 401 A HN 0.419 nan 8.150 nan 0.000 0.501 402 K N 2.445 122.864 120.400 0.032 0.000 2.463 402 K HA 0.472 4.792 4.320 0.000 0.000 0.255 402 K C -1.670 174.963 176.600 0.055 0.000 0.942 402 K CA -0.394 55.914 56.287 0.035 0.000 0.814 402 K CB 1.675 34.178 32.500 0.005 0.000 1.122 402 K HN 0.538 nan 8.250 nan 0.000 0.425 403 V N 4.305 124.271 119.914 0.086 0.000 2.539 403 V HA 0.512 4.632 4.120 0.000 0.000 0.292 403 V C -0.364 175.740 176.094 0.017 0.000 1.045 403 V CA -0.769 61.584 62.300 0.088 0.000 0.945 403 V CB 1.429 33.376 31.823 0.206 0.000 0.993 403 V HN 0.759 nan 8.190 nan 0.000 0.464 404 R N 4.535 125.018 120.500 -0.029 0.000 2.295 404 R HA 0.615 4.955 4.340 0.000 0.000 0.324 404 R C 0.619 176.871 176.300 -0.080 0.000 0.968 404 R CA 0.666 56.740 56.100 -0.043 0.000 0.837 404 R CB 1.009 31.284 30.300 -0.041 0.000 1.133 404 R HN 1.294 nan 8.270 nan 0.000 0.450 405 G N 2.518 111.280 108.800 -0.063 0.000 2.574 405 G HA2 -0.346 3.614 3.960 0.000 0.000 0.286 405 G HA3 -0.346 3.614 3.960 0.000 0.000 0.286 405 G C -0.869 173.959 174.900 -0.120 0.000 1.212 405 G CA 0.151 45.204 45.100 -0.079 0.000 0.979 405 G HN 0.886 nan 8.290 nan 0.000 0.557 406 c N 2.248 120.751 118.600 -0.161 0.000 2.727 406 c HA 0.680 5.250 4.570 0.000 0.000 0.369 406 c C -2.202 171.724 174.090 -0.274 0.000 1.067 406 c CA -0.653 55.535 56.329 -0.234 0.000 1.273 406 c CB 0.411 42.847 42.510 -0.123 0.000 1.778 406 c HN 0.858 nan 8.230 nan 0.000 0.467 407 P HA 0.151 nan 4.420 nan 0.000 0.270 407 P C 0.607 177.798 177.300 -0.181 0.000 1.223 407 P CA 0.104 63.003 63.100 -0.334 0.000 0.785 407 P CB 0.542 31.948 31.700 -0.491 0.000 0.923 408 Q N 0.466 120.203 119.800 -0.105 0.000 2.084 408 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 408 Q C -0.094 175.896 176.000 -0.016 0.000 0.978 408 Q CA 1.297 57.070 55.803 -0.052 0.000 0.844 408 Q CB 0.120 28.836 28.738 -0.037 0.000 0.898 408 Q HN 0.540 nan 8.270 nan 0.000 0.426 409 E N 0.493 120.695 120.200 0.003 0.000 2.259 409 E HA 0.061 4.411 4.350 0.000 0.000 0.281 409 E C 0.050 176.746 176.600 0.159 0.000 1.027 409 E CA -0.370 56.068 56.400 0.063 0.000 0.838 409 E CB 1.079 30.822 29.700 0.073 0.000 1.066 409 E HN 0.051 nan 8.360 nan 0.000 0.401 410 K N 1.865 122.366 120.400 0.169 0.000 2.367 410 K HA 0.150 4.470 4.320 0.000 0.000 0.194 410 K C -0.312 176.409 176.600 0.202 0.000 1.027 410 K CA 0.439 56.883 56.287 0.261 0.000 1.075 410 K CB 0.536 33.118 32.500 0.136 0.000 0.845 410 K HN 0.485 nan 8.250 nan 0.000 0.529 411 E N 0.983 121.265 120.200 0.136 0.000 2.265 411 E HA 0.313 4.663 4.350 0.000 0.000 0.262 411 E C -0.948 175.688 176.600 0.061 0.000 0.889 411 E CA -0.326 56.096 56.400 0.036 0.000 0.789 411 E CB 1.945 31.643 29.700 -0.003 0.000 1.221 411 E HN -0.101 nan 8.360 nan 0.000 0.414 412 K N 0.831 121.257 120.400 0.042 0.000 2.480 412 K HA 0.613 4.933 4.320 0.000 0.000 0.258 412 K C -0.779 175.836 176.600 0.025 0.000 0.990 412 K CA -0.801 55.536 56.287 0.083 0.000 0.857 412 K CB 2.185 34.804 32.500 0.199 0.000 1.384 412 K HN 0.536 nan 8.250 nan 0.000 0.446 413 S N 0.236 115.962 115.700 0.044 0.000 2.627 413 S HA 0.838 5.309 4.470 0.000 0.000 0.283 413 S C -1.003 173.651 174.600 0.091 0.000 1.127 413 S CA -0.895 57.278 58.200 -0.046 0.000 0.863 413 S CB 1.021 64.141 63.200 -0.133 0.000 1.121 413 S HN 0.598 nan 8.310 nan 0.000 0.479 414 F N -1.817 118.114 119.950 -0.030 0.000 2.789 414 F HA 0.891 5.418 4.527 0.000 0.000 0.319 414 F C -1.139 174.654 175.800 -0.011 0.000 1.168 414 F CA -0.919 57.077 58.000 -0.006 0.000 0.934 414 F CB 1.096 40.106 39.000 0.016 0.000 1.375 414 F HN 0.592 nan 8.300 nan 0.000 0.480 415 T N 2.629 117.338 114.554 0.258 0.000 2.893 415 T HA 0.645 4.995 4.350 0.000 0.000 0.293 415 T C -1.047 173.787 174.700 0.223 0.000 1.027 415 T CA -0.488 61.680 62.100 0.113 0.000 0.988 415 T CB 1.794 70.699 68.868 0.061 0.000 1.043 415 T HN 0.548 nan 8.240 nan 0.000 0.461 416 I N 2.885 123.546 120.570 0.152 0.000 2.382 416 I HA 0.484 4.654 4.170 0.000 0.000 0.286 416 I C -0.118 176.027 176.117 0.047 0.000 1.002 416 I CA -0.644 60.748 61.300 0.153 0.000 1.135 416 I CB 1.581 39.721 38.000 0.234 0.000 1.288 416 I HN 0.502 nan 8.210 nan 0.000 0.448 417 K N 8.303 128.700 120.400 -0.004 0.000 2.471 417 K HA 0.548 4.868 4.320 0.000 0.000 0.252 417 K C -2.843 173.680 176.600 -0.127 0.000 0.938 417 K CA -1.625 54.637 56.287 -0.041 0.000 0.796 417 K CB 2.984 35.484 32.500 0.000 0.000 1.161 417 K HN 0.148 nan 8.250 nan 0.000 0.425 418 P HA -0.025 nan 4.420 nan 0.000 0.271 418 P C -0.329 176.874 177.300 -0.162 0.000 1.216 418 P CA -0.600 62.269 63.100 -0.385 0.000 0.771 418 P CB 0.707 31.829 31.700 -0.964 0.000 0.864 419 V N 0.748 120.601 119.914 -0.101 0.000 2.673 419 V HA 0.392 4.512 4.120 0.000 0.000 0.303 419 V C 1.376 177.564 176.094 0.157 0.000 1.046 419 V CA 0.803 63.108 62.300 0.008 0.000 1.126 419 V CB -0.528 31.280 31.823 -0.025 0.000 0.934 419 V HN 0.978 nan 8.190 nan 0.000 0.487 420 G N 3.023 111.906 108.800 0.138 0.000 2.225 420 G HA2 -0.243 3.717 3.960 0.000 0.000 0.254 420 G HA3 -0.243 3.717 3.960 0.000 0.000 0.254 420 G C -0.234 174.753 174.900 0.145 0.000 0.988 420 G CA 0.344 45.521 45.100 0.128 0.000 0.625 420 G HN 0.888 nan 8.290 nan 0.000 0.527 421 F N 0.328 120.243 119.950 -0.059 0.000 2.371 421 F HA 0.721 5.248 4.527 0.000 0.000 0.329 421 F C 1.345 177.125 175.800 -0.034 0.000 1.107 421 F CA -0.468 57.492 58.000 -0.067 0.000 1.137 421 F CB 1.542 40.500 39.000 -0.071 0.000 1.214 421 F HN -0.043 nan 8.300 nan 0.000 0.536 422 K N 0.486 120.939 120.400 0.089 0.000 2.005 422 K HA -0.021 4.299 4.320 0.000 0.000 0.206 422 K C -0.089 176.574 176.600 0.104 0.000 1.044 422 K CA 1.104 57.442 56.287 0.084 0.000 0.942 422 K CB -0.158 32.387 32.500 0.075 0.000 0.727 422 K HN 0.501 nan 8.250 nan 0.000 0.439 423 D N 0.058 120.534 120.400 0.126 0.000 2.357 423 D HA 0.158 4.798 4.640 0.000 0.000 0.242 423 D C -0.164 176.189 176.300 0.089 0.000 1.153 423 D CA 0.230 54.290 54.000 0.101 0.000 0.918 423 D CB 1.319 42.180 40.800 0.103 0.000 1.181 423 D HN 0.321 nan 8.370 nan 0.000 0.435 424 S N 0.048 115.777 115.700 0.049 0.000 2.625 424 S HA 0.557 5.027 4.470 0.000 0.000 0.271 424 S C -1.420 173.186 174.600 0.009 0.000 1.161 424 S CA -1.060 57.156 58.200 0.027 0.000 0.820 424 S CB 1.293 64.506 63.200 0.022 0.000 1.137 424 S HN 0.251 nan 8.310 nan 0.000 0.470 425 L N 1.692 122.917 121.223 0.003 0.000 2.265 425 L HA 0.628 4.968 4.340 0.000 0.000 0.289 425 L C -1.069 175.745 176.870 -0.093 0.000 1.033 425 L CA -0.760 54.064 54.840 -0.027 0.000 0.814 425 L CB 0.293 42.362 42.059 0.017 0.000 1.203 425 L HN 0.755 nan 8.230 nan 0.000 0.423 426 I N 6.099 126.587 120.570 -0.137 0.000 2.337 426 I HA 0.230 4.400 4.170 0.000 0.000 0.291 426 I C -0.474 175.427 176.117 -0.360 0.000 1.046 426 I CA -0.609 60.561 61.300 -0.216 0.000 1.324 426 I CB 1.262 39.169 38.000 -0.155 0.000 1.409 426 I HN 0.294 nan 8.210 nan 0.000 0.494 427 V N 7.035 126.578 119.914 -0.618 0.000 2.333 427 V HA 0.200 4.320 4.120 0.000 0.000 0.274 427 V C 0.042 175.730 176.094 -0.676 0.000 1.028 427 V CA -0.642 61.165 62.300 -0.822 0.000 0.851 427 V CB 0.846 31.823 31.823 -1.412 0.000 1.000 427 V HN 0.687 nan 8.190 nan 0.000 0.456 428 Q N 3.680 123.223 119.800 -0.428 0.000 2.349 428 Q HA 0.490 4.830 4.340 0.000 0.000 0.254 428 Q C -0.727 175.099 176.000 -0.291 0.000 0.980 428 Q CA -0.350 55.274 55.803 -0.298 0.000 0.924 428 Q CB 1.950 30.561 28.738 -0.212 0.000 1.209 428 Q HN 0.631 nan 8.270 nan 0.000 0.445 429 V N 2.445 122.196 119.914 -0.272 0.000 2.532 429 V HA 0.446 4.566 4.120 0.000 0.000 0.295 429 V C 0.092 175.940 176.094 -0.411 0.000 1.041 429 V CA -0.472 61.616 62.300 -0.354 0.000 0.926 429 V CB 1.875 33.468 31.823 -0.384 0.000 0.992 429 V HN 0.712 nan 8.190 nan 0.000 0.457 430 T N 4.578 118.855 114.554 -0.461 0.000 2.881 430 T HA 0.557 4.907 4.350 0.000 0.000 0.291 430 T C -0.759 173.704 174.700 -0.395 0.000 0.990 430 T CA -0.140 61.758 62.100 -0.337 0.000 0.976 430 T CB 0.638 69.402 68.868 -0.173 0.000 0.970 430 T HN 0.302 nan 8.240 nan 0.000 0.438 431 F N 2.352 122.294 119.950 -0.013 0.000 2.404 431 F HA 0.309 4.836 4.527 0.000 0.000 0.358 431 F C 0.872 176.657 175.800 -0.025 0.000 1.120 431 F CA -0.831 57.160 58.000 -0.015 0.000 1.144 431 F CB 0.755 39.749 39.000 -0.009 0.000 1.133 431 F HN 0.388 nan 8.300 nan 0.000 0.495 432 D N 3.686 124.157 120.400 0.118 0.000 2.479 432 D HA 0.265 4.905 4.640 0.000 0.000 0.218 432 D C -0.064 176.260 176.300 0.041 0.000 1.131 432 D CA -0.085 53.942 54.000 0.046 0.000 0.916 432 D CB 0.668 41.465 40.800 -0.005 0.000 1.022 432 D HN 0.598 nan 8.370 nan 0.000 0.515 433 c N 2.004 120.625 118.600 0.036 0.000 3.545 433 c HA 0.279 4.849 4.570 0.000 0.000 0.368 433 c C 0.633 174.710 174.090 -0.022 0.000 1.400 433 c CA -0.546 55.788 56.329 0.009 0.000 1.848 433 c CB 0.069 42.584 42.510 0.008 0.000 2.576 433 c HN 0.446 nan 8.230 nan 0.000 0.683 434 D N -0.030 120.358 120.400 -0.020 0.000 2.437 434 D HA 0.390 5.030 4.640 0.000 0.000 0.259 434 D C -0.643 175.631 176.300 -0.044 0.000 1.118 434 D CA 0.115 54.089 54.000 -0.043 0.000 1.017 434 D CB 1.352 42.133 40.800 -0.031 0.000 1.120 434 D HN 0.202 nan 8.370 nan 0.000 0.541 435 c N 0.476 119.039 118.600 -0.063 0.000 2.391 435 c HA 0.513 5.083 4.570 0.000 0.000 0.339 435 c C 1.802 175.881 174.090 -0.018 0.000 1.205 435 c CA -0.468 55.834 56.329 -0.043 0.000 1.937 435 c CB 0.958 43.414 42.510 -0.089 0.000 2.341 435 c HN 0.774 nan 8.230 nan 0.000 0.516 436 A N 1.183 124.008 122.820 0.008 0.000 1.902 436 A HA -0.192 4.128 4.320 0.000 0.000 0.217 436 A C 2.074 179.669 177.584 0.018 0.000 1.181 436 A CA 2.394 54.441 52.037 0.016 0.000 0.623 436 A CB -1.027 17.990 19.000 0.029 0.000 0.818 436 A HN 1.164 nan 8.150 nan 0.000 0.443 437 c N -1.250 117.367 118.600 0.027 0.000 2.432 437 c HA -0.010 4.560 4.570 0.000 0.000 0.282 437 c C 2.482 176.577 174.090 0.008 0.000 1.388 437 c CA 1.017 57.367 56.329 0.034 0.000 1.777 437 c CB -1.738 40.809 42.510 0.062 0.000 1.882 437 c HN 0.685 nan 8.230 nan 0.000 0.520 438 Q N 1.185 120.972 119.800 -0.022 0.000 2.291 438 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 438 Q C 2.066 178.057 176.000 -0.015 0.000 0.976 438 Q CA 1.441 57.219 55.803 -0.043 0.000 0.875 438 Q CB -0.169 28.527 28.738 -0.070 0.000 0.927 438 Q HN 0.824 nan 8.270 nan 0.000 0.450 439 A N 0.547 123.367 122.820 -0.001 0.000 2.337 439 A HA 0.018 4.338 4.320 0.000 0.000 0.227 439 A C 0.463 178.061 177.584 0.022 0.000 1.259 439 A CA -0.059 51.983 52.037 0.009 0.000 0.870 439 A CB 0.024 19.029 19.000 0.008 0.000 0.927 439 A HN 0.504 nan 8.150 nan 0.000 0.497 440 Q N -0.945 118.874 119.800 0.031 0.000 2.409 440 Q HA 0.665 5.005 4.340 0.000 0.000 0.345 440 Q C -0.083 175.960 176.000 0.071 0.000 0.847 440 Q CA -0.182 55.650 55.803 0.050 0.000 1.092 440 Q CB 0.130 28.900 28.738 0.055 0.000 1.377 440 Q HN 0.258 nan 8.270 nan 0.000 0.399 441 A N 1.113 123.969 122.820 0.060 0.000 2.296 441 A HA 0.406 4.726 4.320 0.000 0.000 0.264 441 A C -0.433 177.223 177.584 0.120 0.000 1.097 441 A CA -0.370 51.717 52.037 0.083 0.000 0.811 441 A CB 0.758 19.783 19.000 0.043 0.000 1.072 441 A HN 0.525 nan 8.150 nan 0.000 0.495 442 E N 0.681 120.986 120.200 0.175 0.000 2.255 442 E HA 0.403 4.753 4.350 0.000 0.000 0.245 442 E C -2.722 173.964 176.600 0.144 0.000 0.909 442 E CA -2.090 54.408 56.400 0.163 0.000 0.747 442 E CB 0.949 30.769 29.700 0.200 0.000 1.215 442 E HN 0.338 nan 8.360 nan 0.000 0.424 443 P HA 0.041 nan 4.420 nan 0.000 0.271 443 P C -0.797 176.563 177.300 0.100 0.000 1.216 443 P CA -0.059 63.099 63.100 0.097 0.000 0.776 443 P CB 0.430 32.174 31.700 0.074 0.000 0.881 444 N N -1.063 117.703 118.700 0.110 0.000 2.725 444 N HA -0.177 4.563 4.740 0.000 0.000 0.251 444 N C -0.136 175.433 175.510 0.097 0.000 1.031 444 N CA 0.734 53.847 53.050 0.105 0.000 0.720 444 N CB -1.363 37.181 38.487 0.095 0.000 0.930 444 N HN 0.436 nan 8.380 nan 0.000 0.543 445 S N -0.744 115.021 115.700 0.108 0.000 2.568 445 S HA -0.025 4.445 4.470 0.000 0.000 0.282 445 S C 1.505 176.151 174.600 0.075 0.000 1.338 445 S CA 0.095 58.355 58.200 0.099 0.000 1.045 445 S CB 0.774 64.057 63.200 0.138 0.000 0.873 445 S HN 0.511 nan 8.310 nan 0.000 0.516 446 H N 3.754 122.810 119.070 -0.022 0.000 2.521 446 H HA 0.126 4.682 4.556 0.000 0.000 0.286 446 H C 1.814 177.116 175.328 -0.043 0.000 1.034 446 H CA 1.546 57.576 56.048 -0.031 0.000 1.278 446 H CB 0.176 29.911 29.762 -0.045 0.000 1.386 446 H HN 0.602 nan 8.280 nan 0.000 0.567 447 R N -0.939 119.494 120.500 -0.113 0.000 2.276 447 R HA 0.152 4.492 4.340 0.000 0.000 0.196 447 R C -0.122 176.135 176.300 -0.073 0.000 0.961 447 R CA 0.451 56.465 56.100 -0.142 0.000 1.024 447 R CB 0.348 30.538 30.300 -0.183 0.000 0.940 447 R HN 0.221 nan 8.270 nan 0.000 0.480 448 c N 2.341 120.917 118.600 -0.041 0.000 2.357 448 c HA 0.277 4.847 4.570 0.000 0.000 0.300 448 c C 0.413 174.465 174.090 -0.063 0.000 1.074 448 c CA -1.124 55.200 56.329 -0.009 0.000 1.566 448 c CB -0.579 41.965 42.510 0.055 0.000 1.791 448 c HN 0.556 nan 8.230 nan 0.000 0.415 449 N N 2.523 121.169 118.700 -0.089 0.000 2.708 449 N HA -0.210 4.530 4.740 0.000 0.000 0.251 449 N C -0.330 175.119 175.510 -0.102 0.000 1.123 449 N CA 1.419 54.406 53.050 -0.105 0.000 0.739 449 N CB -1.453 36.955 38.487 -0.132 0.000 1.113 449 N HN 0.839 nan 8.380 nan 0.000 0.561 450 N N -1.555 117.075 118.700 -0.115 0.000 2.688 450 N HA -0.086 4.654 4.740 0.000 0.000 0.261 450 N C 1.022 176.518 175.510 -0.024 0.000 1.116 450 N CA 2.219 55.216 53.050 -0.090 0.000 0.689 450 N CB -1.407 37.039 38.487 -0.067 0.000 0.882 450 N HN 1.008 nan 8.380 nan 0.000 0.554 451 G N -0.277 108.523 108.800 -0.000 0.000 2.320 451 G HA2 -0.427 3.533 3.960 0.000 0.000 0.242 451 G HA3 -0.427 3.533 3.960 0.000 0.000 0.242 451 G C 1.089 176.036 174.900 0.079 0.000 1.033 451 G CA 0.451 45.584 45.100 0.055 0.000 0.620 451 G HN 0.512 nan 8.290 nan 0.000 0.517 452 N N 1.812 120.522 118.700 0.016 0.000 2.348 452 N HA 0.090 4.830 4.740 0.000 0.000 0.185 452 N C 1.331 176.828 175.510 -0.021 0.000 1.019 452 N CA 1.579 54.604 53.050 -0.041 0.000 0.880 452 N CB -0.164 38.137 38.487 -0.309 0.000 0.965 452 N HN 0.922 nan 8.380 nan 0.000 0.437 453 G N -1.563 107.239 108.800 0.004 0.000 2.788 453 G HA2 0.561 4.521 3.960 0.000 0.000 0.293 453 G HA3 0.561 4.521 3.960 0.000 0.000 0.293 453 G C -1.088 173.870 174.900 0.097 0.000 1.305 453 G CA -0.261 44.860 45.100 0.034 0.000 1.005 453 G HN -0.067 nan 8.290 nan 0.000 0.496 454 T N 0.224 114.841 114.554 0.106 0.000 2.841 454 T HA 0.444 4.794 4.350 0.000 0.000 0.283 454 T C -1.524 173.273 174.700 0.161 0.000 1.000 454 T CA -0.152 62.026 62.100 0.129 0.000 0.977 454 T CB 1.367 70.293 68.868 0.098 0.000 0.979 454 T HN 0.333 nan 8.240 nan 0.000 0.446 455 F N 4.438 124.412 119.950 0.041 0.000 2.361 455 F HA 0.507 5.034 4.527 0.000 0.000 0.364 455 F C 0.159 175.989 175.800 0.049 0.000 1.120 455 F CA -0.701 57.327 58.000 0.045 0.000 1.102 455 F CB 0.497 39.526 39.000 0.049 0.000 1.183 455 F HN 0.623 nan 8.300 nan 0.000 0.476 456 E N 3.822 123.777 120.200 -0.407 0.000 2.308 456 E HA 0.383 4.733 4.350 0.000 0.000 0.275 456 E C -0.349 176.065 176.600 -0.310 0.000 0.890 456 E CA -1.014 55.226 56.400 -0.268 0.000 0.754 456 E CB 1.092 30.720 29.700 -0.119 0.000 1.207 456 E HN 0.659 nan 8.360 nan 0.000 0.426 457 c N 3.236 121.735 118.600 -0.169 0.000 4.185 457 c HA -0.132 4.438 4.570 0.000 0.000 0.297 457 c C 1.576 175.712 174.090 0.076 0.000 1.463 457 c CA 1.182 57.520 56.329 0.015 0.000 2.032 457 c CB -2.304 40.217 42.510 0.017 0.000 1.282 457 c HN 1.414 nan 8.230 nan 0.000 0.770 458 G N -2.288 106.326 108.800 -0.310 0.000 2.254 458 G HA2 -0.034 3.926 3.960 0.000 0.000 0.225 458 G HA3 -0.034 3.926 3.960 0.000 0.000 0.225 458 G C 0.095 174.822 174.900 -0.288 0.000 1.003 458 G CA 0.268 45.232 45.100 -0.226 0.000 0.622 458 G HN 2.034 nan 8.290 nan 0.000 0.507 459 V N -2.153 117.608 119.914 -0.254 0.000 3.234 459 V HA 0.854 4.974 4.120 0.000 0.000 0.317 459 V C 0.582 176.592 176.094 -0.141 0.000 1.147 459 V CA -0.972 61.279 62.300 -0.081 0.000 1.037 459 V CB 1.561 33.446 31.823 0.104 0.000 1.148 459 V HN 0.607 nan 8.190 nan 0.000 0.455 460 c N 1.990 120.601 118.600 0.018 0.000 2.319 460 c HA 0.763 5.333 4.570 0.000 0.000 0.335 460 c C 0.103 174.202 174.090 0.015 0.000 1.274 460 c CA -0.452 55.908 56.329 0.052 0.000 1.806 460 c CB 0.201 42.766 42.510 0.091 0.000 2.329 460 c HN 0.842 nan 8.230 nan 0.000 0.524 461 R N 2.171 122.679 120.500 0.012 0.000 2.599 461 R HA 0.375 4.715 4.340 0.000 0.000 0.295 461 R C -0.822 175.492 176.300 0.024 0.000 0.963 461 R CA -0.447 55.657 56.100 0.006 0.000 0.883 461 R CB 1.325 31.619 30.300 -0.009 0.000 1.171 461 R HN 0.729 nan 8.270 nan 0.000 0.450 462 C N 2.251 121.563 119.300 0.021 0.000 2.634 462 C HA 0.188 4.648 4.460 0.000 0.000 0.418 462 C C 1.638 176.722 174.990 0.156 0.000 1.373 462 C CA 0.030 59.074 59.018 0.044 0.000 1.756 462 C CB -0.324 27.445 27.740 0.048 0.000 2.589 462 C HN 0.831 nan 8.230 nan 0.000 0.602 463 G N 4.480 113.439 108.800 0.265 0.000 2.588 463 G HA2 0.540 4.500 3.960 0.000 0.000 0.278 463 G HA3 0.540 4.500 3.960 0.000 0.000 0.278 463 G C -2.678 172.414 174.900 0.319 0.000 1.307 463 G CA -0.516 44.755 45.100 0.285 0.000 1.016 463 G HN 0.579 nan 8.290 nan 0.000 0.503 464 P HA 0.395 nan 4.420 nan 0.000 0.290 464 P C -0.361 176.829 177.300 -0.184 0.000 1.276 464 P CA -0.245 62.856 63.100 0.001 0.000 0.808 464 P CB 1.719 33.415 31.700 -0.006 0.000 0.966 465 G N 2.469 111.043 108.800 -0.377 0.000 2.675 465 G HA2 0.504 4.464 3.960 0.000 0.000 0.297 465 G HA3 0.504 4.464 3.960 0.000 0.000 0.297 465 G C -1.535 173.144 174.900 -0.368 0.000 1.399 465 G CA -0.496 44.462 45.100 -0.237 0.000 0.981 465 G HN 0.346 nan 8.290 nan 0.000 0.519 466 W N 0.000 121.300 121.300 0.001 0.000 2.388 466 W HA 0.000 4.660 4.660 0.000 0.000 0.303 466 W CA 0.000 57.346 57.345 0.001 0.000 1.226 466 W CB 0.000 29.462 29.460 0.003 0.000 1.126 466 W HN 0.000 nan 8.180 nan 0.000 0.535